27-state close-coupled calculation: Topics by WorldWideScience.org

Evidence for significant backscattering in near-threshold electron-impact excitation of Ar"7"+(3s#->#3p)

Absolute, cascade-free excitation cross sections in an ion have been measured for the resonance "2S#->#"2P transition in Zn"+ using electron-energy-loss and merged electron-ion beams methods. Measurements were carried out at electron energies of below threshold to 6 times threshold. Comparisons are made with 2-, 5-, and 15-state close-coupling and distorted-wave theories. There is good agreement between experiment and the 15-state close-coupling cross sections over the energy range of the calculations.

2

Excitation cross sections for the ns "2S#->#np "2P resonance transitions in Mg"+ (n=3) and Zn"+ (n=4) using electron-energy-loss and merged-beams methods

Measurements of absolute total cross sections for electron-impact excitation of Ar"7"+(3s#->#3p) using a merged-beams electron-energy-loss technique show that near threshold the inelastically scattered electrons are ejected primarily in the backward direction. This unusual angular scattering has not been previously observed for atoms or ions, but may be typical for multiply charged ions. The total cross sections, measured over an energy range to 2.2 eV above threshold, agree with seven-state R-matrix close-coupling calculations. Both close-coupling and distorted-wave calculations also confirm the backscattering observed in these measurements.

3

Electron-impact excitation of Si"3"+(3s#->#3p) using a merged-beam electron-energy-loss technique

Electron-excitation cross sections are reported for the 3s "2S#->#3p "2P(h,k) resonance transition in Mg"+ at energies from threshold (4.43 eV) to approximately 9 times threshold (40.0 eV). The electron-energy-loss merged-beams technique used in these measurements is described in detail. In addition, the method of separating contributions of the elastically scattered (Coulomb) and the inelastically scattered electrons in the present Mg"+ case and previously reported Zn"+ results [Phys. Rev. Lett. 67, 30 (1991)] is described. Comparisons in the experimental energy range are made for Mg"+ with the two five-state close-coupling theoretical calculations carried out herein, and with other published close-coupling, distorted-wave, and semiempirical calculations. The present Mg"+ cross sections and Zn"+ cross sections from earlier measurements are tabulated.

4

Absolute electron scattering cross sections for the "2S#->#"2P transition in Zn"+ using energy-loss and merged-beams methods

For the first time, absolute cross sections for electron-impact excitation of a multiply charged ion have been measured using an electron-energy-loss technique. Cross sections for e+Si"3"+(3s "2S_1_/_2)#->#e+Si"3"+(3p "2P_1_/_2_,_3_/_2)-8.88 eV have been measured with an accuracy of #+-#20% (at 90% confidence level) over a narrow energy range (#+-#0.6 eV) about the threshold energy with an energy resolution of 0.2 eV. Results are in good agreement with close-coupling calculations.

5

Electron-ion recombination of neutral iron

Using the electron energy-loss method in a merged electron-ion beams geometry absolute, cascade-free excitation cross sections have been measured for the resonance "2S#->#"2P transition in Zn"+. Measurements were carried out at electron energies of below threshold (threshold at 6.011 eV) to 40 eV. Results are in very good agreement with close-coupling calculations and, away from threshold, lie below absolute line-emission cross sections which include effects of cascade into the "2P state from higher levels.

1991-02-20

6

Merged-beams energy-loss technique for electron-ion excitation: Absolute total cross sections for O"5"+(2s#->#2p)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. ...

1997-04-01

7

Red mud as a first stage catalyst in a two-stage close-coupled thermal catalytic hydroconversion process

A merged-beams electron-energy-loss technique is described, by which absolute cross sections can be measured for near-threshold electron-impact excitation of multipy charged ions. Results are reported here for absolute total electron-impact excitation cross sections for the O"5"+(2s#->#2p) transition from below threshold to 1.6 eV above threshold. The experimental data are in good agremeent with a seven-state close-coupling calculation throughout the energy range of the experiment. Results agree with calculations showing that more than 90% of the electrons causing excitation are ejected in the backward direction in the center-of-mass frame. This backscattering is shown in both quantum-mechanical and semiclassical calculations. Evidence is observed for high-lying metastable autoionizing states with a lifetime of approximately 0.9 #mu#s which are made to ionize by electron impact.

8

Metals-impreganted red mud as a first-stage catalyst in a two-stage, close-coupled thermal catalytic hydroconversion process

A process for the production of transportation fuels from heavy hydrocarbonaceous feedstock is provided comprising a two-stage, close-coupled process, wherein the first stage comprises a hydrothermal zone into which is introduced a mixture comprising a feedstock and red mud having coke-suppressing and demetalizing activity, and hydrogen; and the second, close-coupled stage comprises a hydrocatalytic zone into which substantially all the effluent from the first stage is directly passed and processed under hydrocracking conditions.

1985-12-17

9

Electron-impact excitation of multiply-charged ions using energy loss in merged beams: e+Si"3"+(3s"2S_1_/_2)#->#e+Si"3"+(3p"2P_1_/_2_,_3_/_2)

A process for the production of transportation fuels from heavy hydrocarbonaceous feedstock is provided comprising a two-stage, close-coupled process, wherein the first stage comprises a hydrothermal zone into which is introduced a mixture comprising a feedstock and metals-impregnated red mud having coke-suppressing and demetalizing activity, and hydrogen; and the second, close-coupled stage comprises a hydrocatalytic zone into which substantially all the effluent from the first stage is directly passed and processed under hydrocatalytic conditions. The preferred metals for impregnation include transition metals, in particular, nickel and molybdenum.

1985-12-17

10

Cross sections for electron scattering by atomic potassium

For the first time absolute total cross sections for electron-impact excitation of a multiply-charged ion have been measured using an electron-energy-loss technique. Measurements were made near threshold for the process e + Si"3"+(3s"2S_1_/_2) #-># e+Si"3"+(3p"2P_1_/_2_,_3_/_2)-8.88 eV. The 10"-"1"5 cm"2 measured cross section agrees with results of 7-state close coupling calculations to better than the #+-#20% (90% CL) total uncertainty of the measurements. Convoluting the theoretical curve with a Gaussian energy distribution indicates an energy width of 0.15 < or approx. #DELTA#E < or approx. 0.20 eV. (orig.).

11

Absolute cross sections for near-threshold electron-impact excitation of the 2s"2S#->#2p"2P transition in C"3"+

Electron elastic and collisional excitation cross sections from the ground state of potassium are calculated using the noniterative integral-equation method of Henry, Rountree, and Smith [Comput. Phys. Commun. 23, 233 (1981)] in the electron energy range 4#<=#E#<=#200 eV. Configuration-interaction target wave functions that take account of correlation and polarization effects are used to represent the ground state and the six lowest excited states 4p "2P degree, 5s "2S, 3d "2D, 5p "2P degree, 4d "2D, and 6s "2S. Elastic and discrete excitation cross sections are obtained in a seven-state close-coupling (7CC) approximation. The 7CC elastic and excitation cross sections are compared and contrasted. Near threshold the elastic cross section dominates the resonance, 4s "2S#->#4p "2P degree, and the sum of the other remaining excitation cross sections. Comparison of our total cross sections with some available experimental and theoretical ...

12

Two-stage, close coupled catalytic liquefaction of coal. Fourteenth quarterly report, 1 January 1992--31 March 1992

Absolute total cross sections for electron-impact excitation of the 2s"2S#->#2p"2P transition in C"3"+ were measured from 7.35 eV to 8.45 eV using the merged electron-ion-beams energy-loss technique. The results settle the discrepancy between two previous experiments using the crossed-beams fluorescence method, being in very good agreement with the older results [P. O. Taylor, D. Gregory, G. H. Dunn, R. A. Phaneuf, and D. H. Crandall, Phys. Rev. Lett. 39, 1256 (1977)] but less so with the more recent ones [D. W. Savin, L. D. Gardner, D. B. Reisenfeld, A. R. Young, and J. L. Kohl, Phys. Rev. A 51, 2162 (1995)]. The present measurements are also in good agreement with unitarized Coulomb-Born and close-coupling calculations. copyright 1998 The American Physical Society.

13

The Wilsonville Advanced Coal Liquefaction Research and Development Facility, Wilsonville, Alabama

This quarterly report covers activities of the Two-Stage, Close- Coupled Catalytic Liquefaction of Coal program during the period January 1,--March 31,1992, at Hydrocarbon Research, Inc. in Lawrenceville and Princeton, New Jersey. This DOE contract period is from October 1, 1988 to September 30, 1992. The overall purpose of the program is to achieve higher yields of better quality transportation and turbine fuels and to lower the capital and production costs in order to make the products from direct coal liquefaction competitive with other fossil fuel products. The quarterly report covers work on Laboratory Testing, PDU Activities and Administration.

1992-04-01

14

Simplified RF power system for Wideroe-type linacs

This report presents the operating results for Run 255 at the Advanced Coal Liquefaction Research and Development Facility in Wilsonville, Alabama. This run operated in the Close Coupled Integrated Two-Stage Liquefaction mode (CC-ITSL) using Martin Lake Texas lignite. The purpose of this run was to demonstrate unit and system operability with Martin Lake lignite. Run 255 began on 20 March 1988 and continued through 9 June 1988. During this period, 204.4 MF tons of Martin Lake Texas lignite were fed in 1865.5 hours of operation. 70 figs., 21 tabs.

1991-05-01

15

CC, CS, and IOS generalized phenomenological cross sections for atom--diatom mixtures

The RF system for the SuperHILAC injector linac was designed and constructed for minimum system complexity, wide dynamic range, and ease of maintenance. The final amplifier is close coupled to the linac and operates in an efficient semilinear mode, eliminating troublesome transmission lines, modulators, and high level regulators. The system has been operated at over 250 kW, 23 MHz with good regulation. The low level RF electronics are contained in a single chassis adjacent to the RF control computer, which monitors all important operating parameters. A unique 360/sup 0/ phase and amplitude modular is used for precise control and regulation of the accelerating voltage.

1981-03-01

16

The Xygra gun simulation tool.

Close coupled expressions for phenomenological cross sections which describe transport properties of atom--diatom mixtures are obtained in the total-J coupling scheme and are related to the bracket integrals of kinetic theory. Coupled states and infinite order sudden expressions for the generalized phenomenological cross sections using initial, final, and average l-labeling are also given. Particular care is taken to use a phase convention for the CS and IOS approximations which is consistent with the Arthurs--Dalgarno formalism and which gives the correct behavior of degeneracy averaged differential cross sections.

1981-05-01

17

Collisions between H"+ and H_2 at kilo-electron-volt energies: Absolute differential cross sections for small-angle direct, single-, and double-charge-transfer scattering

Inductive electromagnetic launchers, or coilguns, use discrete solenoidal coils to accelerate a coaxial conductive armature. To date, Sandia has been using an internally developed code, SLINGSHOT, as a point-mass lumped circuit element simulation tool for modeling coilgun behavior for design and verification purposes. This code has shortcomings in terms of accurately modeling gun performance under stressful electromagnetic propulsion environments. To correct for these limitations, it was decided to attempt to closely couple two Sandia simulation codes, Xyce and ALEGRA, to develop a more rigorous simulation capability for demanding launch applications. This report summarizes the modifications made to each respective code and the path forward to completing interfacing between them.

2008-12-01

18

CLOSURE OF THE FAST FLUX TEST FACILITY (FFTF) HISTORY & STATUS & FUTURE PLANS

Measurements of absolute differential cross sections for H"+-H_2 direct, single-, and double-charge-transfer scattering at 0.5, 1.5, and 5.0 keV are reported at laboratory scattering angles less than 1 degree with an angular resolution of approximately 0.02 degree. The cross sections exhibit deep interference oscillations in single-charge-transfer scattering, but no such oscillations are present in direct and double-charge-transfer scattering. Theoretical cross sections derived using the diatoms-in-molecules method to describe the molecular states in a semiclassical molecular-orbital three-state close-coupling model within a semiclassical framework agree satisfactorily with the experimental results.

19

Absolute cross sections for near-threshold electron-impact excitation of the 3s"2"1S#->#3s3p"1P and 3s"2"1S#->#3s3p"3P transitions in Si"2"+

In 1993, the US Department of Energy (DOE) decided to shut down the Fast Flux Test Facility (FFTF) due to lack of national missions that justified the annual operating budget of approximately $88M/year. The initial vision was to ''deactive'' the facility to an industrially and radiologically safe condition to allow long-term, minimal surveillance storage until approximately 2045. This approach would minimize near term cash flow and allow the radioactive decay of activated components. The final decontamination and decommissioning (D and D) would then be performed using then-current methodology in a safe and efficient manner. the philosophy has now changed to close coupling the initial deactivation with final D and D. This paper presents the status of the facility and focuses on the future challenge of sodium removal.

2006-02-24

20

Proposed fuel cycle for the Integral Fast Reactor

Absolute total cross sections for electron-impact excitation of the 3s"2"1S#->#3s3p"3P and 3s"2"1S#->#3s3p"1P transitions in Si"2"+ were measured using the merged electron-ion beams energy-loss technique. The results are compared to R-matrix close-coupling theory, which predicts a strong resonance enhancement of the cross section near the threshold for excitation of the "3P state and this is confirmed by the experiments. The observed disagreement between theory and experiment for the dipole excitation is suggested to be due to resonance interference. copyright 1997 The American Physical Society.

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21

Materials performance at the Wilsonville Coal Liquefaction Facility, 1989--1991

One of the key features of ANL's Integral Fast Reactor (IFR) concept is a close-coupled fuel cycle. The proposed fuel cycle is similar to that demonstrated over the first five to six years of operation of EBR-II, when a fuel cycle facility adjacent to EBR-II was operated to reprocess and refabricate rapidly fuel discharged from the EBR-II. Locating the IFR and its fuel cycle facility on the same site makes the IFR a self-contained system. Because the reactor fuel and the uranium blanket are metals, pyrometallurgical processes (shortned to ''pyroprocesses'') have been chosen. The objectives of the IFR processes for the reactor fuel and blanket materials are to (1) recover fissionable materials in high yield; (2) remove fission products adequately from the reactor fuel, e.g., a decontamination factor of 10 to 100; and (3) upgrade the concentration of plutonium in uranium sufficiently to replenish the fissile-material ...

1985-01-01

22

Advanced Coal Liquefaction Research and Development Facility, Wilsonville, Alabama. Run 261 with Illinois No. 6 Burning Star Mine coal

The Advanced Coal Liquefaction Research and Development Facility in Wilsonville, Alabama, is funded by the US Department of Energy (DOE), the Electric Power Research Institute (EPRI), and Amoco Corporation. On behalf of these organizations, Southern Company Services manages and Southern Clean Fuels Division of Southern Electric International operates the Wilsonville facility. Oak Ridge National Laboratory (ORNL) receives funding from DOE to provide materials technical support to the Wilsonville operators. For the period July 1987 through November 1990 the plant was operated with two reactors a thermal reactor and a catalytic reactor in a close-coupled integrated two-stage liquefaction mode. Coal processed was obtained from several seams including Ohio No. 6, Illinois No. 6, and Pittsburgh No. 8, as well as Texas lignite and several subbituminous coals. Corrosion samples which were removed for examination at the end of this period were exposed in the vacuum ...

1991-01-01

23

Advanced Coal Liquefaction Research and Development Facility, Wilsonville, Alabama. Run 260 with Black Thunder Mine subbituminous coal: Technical progress report

This report presents the results of Run 261 performed at the Advanced Coal Liquefaction R & D Facility in Wilsonville, Alabama. The run started on January 12, 1991 and continued until May 31, 1991, operating in the Close-Coupled Integrated Two-Stage Liquefaction mode processing Illinois No. 6 seam bituminous coal (from Burning star No. 2 mine). In the first part of Run 261, a new bimodal catalyst, EXP-AO-60, was tested for its performance and attrition characteristics in the catalytic/catalytic mode of the CC-ITSL process. The main objective of this part of the run was to obtain good process performance in the low/high temperature mode of operation along with well-defined distillation product end boiling points. In the second part of Run 261, Criterion (Shell) 324 catalyst was tested. The objective of this test was to evaluate the operational stability and catalyst and process performance while processing the high ash Illinois No. 6 coal. Increasing viscosity ...

1992-09-01

24

Advanced Coal Liquefaction Research and Development Facility, Wilsonville, Alabama

This report presents the results of Run 260 performed at the Advanced Coal Liquefaction R&D Facility in Wilsonville. The run was started on July 17, 1990 and continued until November 14, 1990, operating in the Close-Coupled Integrated Two-Stage Liquefaction mode processing Black Thunder mine subbituminous coal (Wyodak-Anderson seam from Wyoming Powder River Basin). Both thermal/catalytic and catalytic/thermal tests were performed to determine the methods for reducing solids buildup in a subbituminous coal operation, and to improve product yields. A new, smaller interstage separator was tested to reduce solids buildup by increasing the slurry space velocity in the separator. In order to obtain improved coal and resid conversions (compared to Run 258) full-volume thermal reactor and 3/4-volume catalytic reactor were used. Shell 324 catalyst, 1/16 in. cylindrical extrudate, at a replacement rate of 3 lb/ton of MF coal was used in the catalytic stage. Iron oxide ...

1992-01-01

25

Ethanol production and a case study of ethanol produced from sweet sorghum stalks via solid state fermentation

This report presents the results of Run 260 performed at the Advanced Coal Liquefaction R D Facility in Wilsonville. The run was started on July 17, 1990 and continued until November 14, 1990, operating in the Close-Coupled Integrated Two-Stage Liquefaction mode processing Black Thunder mine subbituminous coal (Wyodak-Anderson seam from Wyoming Powder River Basin). Both thermal/catalytic and catalytic/thermal tests were performed to determine the methods for reducing solids buildup in a subbituminous coal operation, and to improve product yields. A new, smaller interstage separator was tested to reduce solids buildup by increasing the slurry space velocity in the separator. In order to obtain improved coal and resid conversions (compared to Run 258) full-volume thermal reactor and 3/4-volume catalytic reactor were used. Shell 324 catalyst, 1/16 in. cylindrical extrudate, at a replacement rate of 3 lb/ton of MF coal was used in the catalytic stage. Iron oxide was ...

1992-01-01

26

Coilgun Launcher for Nanosatellites

Ethanol has excellent fuel properties, such as high octane, high heat of vaporization and low photochemical reactivity in the atmosphere. It is less volatile than gasoline and there is lower smog formation from evaporative emissions of pure ethanol compared to gasoline. As such, ethanol has emerged as an important alternative energy source that is sustainable, efficient, cost effective, convenient and safe. In 2006, global production of ethanol reached 13.5 billion gallons, up from 12.1 billion gallons in 2005. However, in light of the current debate of food versus fuel, the industry must shift to non-food feedstocks. This paper described an emerging technology to cost-effectively produce ethanol from sweet sorghum stalks, the most promising alternative feedstock to corn, via solid state fermentation (SSF). Experiments of advanced solid state fermentation (ASSF) for ethanol production from sweet sorghum by Saccharomyces cerevisiae were conducted in laboratory and pilot scales studies. ...

2008-07-01

27

On the combination of two dimensional Sn transport calculation and Monte Carlo calculation

Nanosatellite space launches could significantly benefit from an electrically powered launch complex, based on an electromagnetic coil launcher. This paper presents results of studies to estimate the required launcher parameters and some fixed facility issues. This study is based on electromagnetic launch, or electromagnetic gun technology, which is constrained to a coaxial geometry to take advantage of the efficiency of closely-coupled coils. A baseline configuration for analysis considers a payload mass of 10 kg, launch velocity of 6 km/s, a second stage solid booster for orbital insertion, and a payload fraction of about 0.1. The launch facility is envisioned as an inclined track, 1-2 km in length, mounted on a hillside at 25 degrees aimed in the orbital inclination of interest. The launcher energy and power requirements fall in the range of 2000 MJ and 2 MW electric. This energy would be supplied by 400 modules of energy storage and magnetic coils. With a prime ...

1999-03-23

28

Study of quantum chemical calculation of actinide compounds

No abstract prepared.

2001-01-01

29

Processor Energy Model Calculation using Heat Equilibrium

No abstract prepared

1998-01-01

30

KoreaScience (Korea)

Full Text Available

2011-04-01

31

Preliminary calculations for MOX fuel critical experiments in TCA

Fermion Monte Carlo calculations on liquid-3He

No abstract prepared.

2000-01-01

32

Calculating plume rise above level of stack

Abstract not provided

2004-06-07

33

A review of Monte Carlo criticality calculations - convergence, bias, statistics

A method for calculating plume rise above stack level is presented. The equations set forth by Briggs, which are presently the most popular for such calculations, are discussed. A method using 2 nomographs, simplifying the calculations is given. (JMT)

1982-04-01

34

Theoretical Calculation of Jet Fuel Thermochemistry

No abstract prepared.

2008-01-01

35

Full potential all electron positron lifetime calculations: assessment of local enhancement factors

High-level ab initio calculations have been performed on the exo and endo isomers of gas-phase

2010-01-01

36

Calculation of cosmic ray antiproton-proton ratio

We report the implementation of positron wave function and lifetime calculations in the all-electron full-potential linearized augmented plane wave method. Calculations of lifetimes for more than 30 materials with two different forms of the enhancement factor were done and compared to prior calculations and experiment. We find that reasonable agreement with experiment can be obtained within the local density approximation when all-electron full-potential calculations are done.

2008-04-01

37

Accelerating the convergence of self-consistent linearized augmented-plane-wave calculations

Independent calculations of the antiproton-to-proton ratio by Gaisser and Maurer and by Badhwar et al. have produced conflicting results which obscure the interpretation of recent measurements of cosmic ray antiprotons. A detailed reexamination of these calculations has been performed and these differences have been resolved. We find that the first calculation was essentially correct and the reported fluxes of antiprotons are significantly higher than expected for secondary antiprotons in conventional models of cosmic ray propagation, as indicated by other recent calculations.

1982-01-15

38

Some perturbative results for two-dimensional gravity

The applicability of Broyden's second method for accelerating the convergence of self-consistent electronic-structure calculations based on the linearized augmented-plane-wave method is discussed in terms of a W(001) surface calculation. It is found that its use results in a significant improvement in the convergence of the calculation, and based on this it is concluded that its use should increase the size of the systems for which such calculations are feasible.

39

Development of a fine and ultra-fine group cell calculation code SLAROM-UF for fast reactor analyses

Perturbative approach to two-dimensional gravity and supergravity is considered. One-loop renormalization of the central charge of SL(2,R) Kac-Moody algebra is calculated perturbatively by functional integration and by explicit calculations of the Feynman diagrams. Also the wavefunction renormalization and the anomalous dimensions in the presence of gravity are calculated.

1990-04-20

40

A cell calculation code SLAROM-UF has been developed for fast reactor analyses to produce effective cross sections with high accuracy in practical computing time, taking full advantage of fine and ultra-fine group calculation schemes. The fine group calculation covers the whole energy range in a maximum of 900-group structure. The structure is finer above 52.5 keV with a minimum lethargy width of 0.008. The ultra-fine group calculation solves the slowing down equation below 52.5 keV to treat resonance structures directly and precisely including resonance interference effects. Effective cross sections obtained in the two calculations are combined to produce effective cross sections over the entire energy range. Calculation accuracy and improvements from conventional 70-group cell calculation results were investigated through comparisons with ...

2006-08-01

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41

Defect modelling

MCNP-DSP calculations of the {sup 252}Cf-source-driven noise analysis measurements of highly enriched uranium metal cylinders

Calculations, drawing principally on developments at AERE Harwell, of the relaxation about lattice defects are reviewed with emphasis on the techniques required for such calculations. The principles of defect modelling are outlined and various programs developed for defect simulations are discussed. Particular calculations for metals, ionic crystals and oxides, are considered. (UK).

1980-03-01

42

CRC handbook of nuclear reactors calculations. Vol. III

This paper presents calculations of the {sup 252}Cf-source-driven noise analysis measurements for subcritical highly enriched uranium metal cylinders using the Monte Carlo code MCNP-DSP. This code directly calculates the noise analysis data from the {sup 252}Cf- source-driven noise analysis method for both neutron and gamma ray detectors. Direct calculation of experimental observables by the Monte Carlo method allows for the benchmarking of the calculational model and the cross sections and for determining the bias in the calculation.

1995-07-01

43

Removal Sampling to Calculate Population Statistics

This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume III: Control Rods and Burnable Absorber Calculations. Perturbation Theory for Nuclear Reactor Analysis. Thermal Reactors Calculations. Fast Reactor Calculations. Seed-Blanket Reactors. Index.

44

Radiation Damage Calculations for the FUBR and BEATRIX Irradiations of Lithium Compounds in EBR-II and FFTF

Removal Sampling is an easy-to-use Windows program which calculates population statistics from removal trapping experiment data. Using maximum likelihood methods it ... ...

45

ROUNDUP - Johnson Space Center - NASA

Radiation Damage Calculations for the FUBR and BEATRIX Irradiations of Lithium Compunds in EBR-II and FFTF

1999-05-01

46

Nucleation rate for black holes

Sep 12, 1975 ... POCKET CALCULATORS. Jose P. Olivares 35, Robert B. Clowns and ... of pocket calculators and has an- Washington to arrive by Nov. 20. ...

47

Gadolinium electronic band structure: augmented plane wave calculation

A simple heuristic calculation is given for the rate of nucleation of black holes at positive temperature. This calculation is based on the classical theory of nucleation and reproduces the result of Gross, Perry, and Yaffe.

1984-08-15

48

Verification of lithium detector efficiency using DD neutron

Augmented plane wave calculation of gadolinium electronic structure crystallized in a hexagonal close-packed lattice is carried out.

49

MPIRSPT : a parallelized all-electron DFT program for lanthanide and actinide calculations.

The detection efficiency of a lithium glass detector was calculated using MCNP code, and the calculation was compared with the published results in Pulsed Sphere Plan. A lithium glass detector of our own was made, and its neutron efficiency was calculated. The calculated neutron efficiency was verified with both pulsed and steady DD neutrons. Characteristics of Neutron response of "6Li detector was discussed. (authors)

2005-08-01

50

Commutator calculation utilizing the Mathematica program; Calculo de comutadores utilizando o programa Mathematica

No abstract prepared.

2008-08-01

51

Calculation of. beta. -decay half-lives with the proton-neutron quasiparticle RPA

Short communication.

1996-12-31

52

Calculation of the energy band structures in semiconductors by RAPW method

The ..beta.. decay half-lives of neutron-rich isotopes with Z=24-28 are calculated in the QRPA with a Gamow-Teller residual interaction. For odd-mass and odd-odd systems QRPA phonon correlations are introduced to quasiparticle transitions in first-order perturbation. The calculated half-lives agree very well with the experimental values. For later application of this model to nuclei far from stability, we have examined the dependence of the calculated half-lives on the model parameters.

1988-07-07

53

Calculation of some energetic parameters of astatine compounds

To calculate the energy band structures in semiconductors using the relativistic augmented plane wave method, atomic potential and charge density are needed, which are calculated by self-consistent method. Wave function for one electron is determined by solving the Dirac equation with the Hartree-Fock equation based on the slater's exchange potential. The results of calculation for Cu"+"1 are given. (Author).

54

Calculation of Low Aspect Ratio Wing Aerodynamics by Using Nonlinear Vortex Lattice Method

... astatine complexes astatine compounds coulomb energy effective charge

55

KoreaScience (Korea)

Full Text Available

2008-11-01

56

Calculation of #beta#-decay half-lives with the proton-neutron quasiparticle RPA

Calculation method of elastic moduli of textured two-phase titanium alloys

The #beta# decay half-lives of neutron-rich isotopes with Z=24-28 are calculated in the QRPA with a Gamow-Teller residual interaction. For odd-mass and odd-odd systems QRPA phonon correlations are introduced to quasiparticle transitions in first-order perturbation. The calculated half-lives agree very well with the experimental values. For later application of this model to nuclei far from stability, we have examined the dependence of the calculated half-lives on the model parameters. (orig.).

57

Algebraic description of perturbation theory in quantum electrodynamics

On the basis of symmetry way of texture description a calculation method of elastic moduli of two-phase titanium alloys with rolling texture has been suggested. Efficiency of the calculation formulas is checked by comparing the calculation results of Young modulus anisotropy in the sheet plane of (#alpha#+#beta#)-titanium alloy VT23 with the experimental data.

58

A Numerical Calculation for the Optimum Operation of Cyclone-based Combustion System

An algebraic formulation of the electromagnetic field in which various quantization procedures can be described was chosen to discuss perturbation calculations. It is shown that the Feynman rules and the second order calculation of the self-energy of the electron can be developed on the basis of the Fermi method of quantization. The algebraic approach clarifies the problems in defining the vacuum and other states which are associated with calculations in terms of field algebra operators. It is demonstrated that the vacuum state defined on the field algebra by Schwinger leads to incorrect results in the self-energy calculation.

1982-01-01

59

KoreaScience (Korea)

Full Text Available

2011-02-01

60

A new direct calculation method of response matrices using a Monte Carlo calculation

Nuclear fuel behavior at an atomic scale: the contributions of the ab initio calculations and the synchrotron radiation; Comportement du combustible nucleaire a l'echelle atomique: les apports des calculs ab initio et du rayonnement synchrotron

A novel direct calculation method of response matrices on heterogeneous lattices by using the Monte Carlo method is proposed. These direct response matrices (DRMs) can be used in core calculations in place of the conventional homogenized lattice constants. The DRMs are formalized by four sub response matrices (sub-RMs) in order to respond to a core eigenvalue, k; thus the DRMs can be re-evaluated on each outer iteration in the core calculations. The sub-RMs can be evaluated by analyzing each neutron's trajectory from ordinary lattice calculations with the Monte Carlo code. Since these sub-RMs are calculated directly under an actual complex assembly geometry, i,e., without a homogenization process, intra-assembly heterogeneous effects can be reflected on global partial current balance calculations. With using two of the sub-RMs, which deal with neutron ...

1999-10-01

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61

Multiphase flow calculation software

This paper presents fundamental researches based on the electronic structure calculations and X absorption spectroscopy, allowing the knowledge on nuclear fuels at an atomic scale. They bring a better understanding of these material behavior to accurate the macroscopic simulation. The calculation methods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)

2000-07-01

62

Application of linear augemented plane wave method for technetium electronic structure calculation

Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.

2003-04-15

63

Multi-configuration Hartree- and Dirac-Fock calculations of atomic hyperfine structures

By the linear augmented plane wave method (APW) the energy zone of silver and technetium structure is calculated. The potential has been determined by means of superposition of atomic charge densities according to slater exchange method. Total and partial state densities have been calculated by the tetrahedron method. The APW-method convergence on the example of silver is studied, the comparison with the calculation results by the APW method and other data is carried out. The APW method high efficiency is pointed out. In dipole approximation the intensity distribution in L"3, M"5 N"3 technetium emission spectra is calculated.

64

Extension of the implicit curve-fitting method for fast calculation of thermodynamic properties of refrigerants in supercritical region

Recent multi-configuration Hartree-Fock (MCHF) calculations of atomic hyperfine structures are reviewed. In particular, spin-polarization and relativistic effects are considered. Using a systematic active space MCHF approach, combined with large multi-reference configuration interaction (MR-CI) calculations, it is shown that hyperfine structures in many cases can be calculated very accurately. For few-electron systems, like lithium and beryllium, the remaining discrepancies between theory and experiments largely come from neglected relativistic effects, showing the necessity of fully relativistic calculations even for these systems. The physical effects of relativity on the hyperfine structure are discussed and fully relativistic multi-configuration Dirac-Fock (MCDF) calculations using the systematic active space approach are performed for lithium-like fluorine. (orig.).

65

Burnup analysis and in-core fuel management study of the 3MW TRIGA MARK II research reactor

The implicit curve-fitting method has been used for fast and stable calculations of thermodynamic properties of subcritical refrigerants, and it has to use the saturated liquid or vapor state as the reference state. In order to extend the application range of this method in supercritical region, an isothermal state in the supercritical region is used as the reference state, and the implicit equations for supercritical refrigerants in this state and out of this state are established, respectively. The new calculation method can be used in the entire supercritical region. With the new method, thermodynamic properties of supercritical CO{sub 2} and R410A are predicted and compared with REFPROP 8. It shows that the total mean relative deviations of the fast calculation formulae from REFPROP 8 are less than 1%, while the mean calculation speeds of the fast calculation formulae are more ...

2009-11-15

66

British Library Electronic Table of Contents (United Kingdom)

The principal objective of this study is to formulate an effective optimal fuel management strategy for the TRIGA MARK II research reactor at AERE, Savar. The core management study has been performed by utilizing four basic types of information calculated for the reactor: criticality, power peaking, neutron flux and burnup calculation. This paper presents the results of the burnup calculations for TRIGA LEU fuel elements. The fuel element burnup for approximately 20 years of operation was calculated using the TRIGAP compute code. The calculation is performed in one-dimensional radial geometry in TRIGAP. Inter-comparison of TRIGAP results with other two calculations performed by MVP-BURN and MCNP4C-ORIGEN2.1 show very good agreement. Reshuffling at 20,000MWh step provides the highest core l...

2008-01-01

67

A calculation method of running range of electric vehicle with battery hybrid system

Optimizing an analytical dose calculation algorithm for fast 2D calculations

Much attention is being paid to electric vehicles from environmental standpoints. One disadvantage of the electric vehicle is that its operative range is short. A means to overcome this difficulty is to use a hybrid battery which consist of a energy battery and a power battery. A method to make it possible to calculate the discharge characteristics of the battery hybrid system taking into account the charging behavior from the energy battery to the power battery is presented. In the proposed method, first the output voltage and the output current of an equivalent battery, which is required for realizing the given operating pattern are calculated. Next, the conduction ratio of the main chopper and the equivalent discharge of electric charge of each battery are calculated. These calculated data are used to calculate the operating range.

1980-05-01

68

The realiability of rates of glucose appearance in vivo calculated from constant tracer infusions.

Previously, an analytical dose calculation algorithm for MLC-based radiotherapy was developed and commissioned, which includes a detailed model of various MLC effects as a unique feature [1]. The algorithm was originally developed as an independent verification of the treatment planning system's dose calculation and it explicitly modeled spatial and depth dependent MLC effects such as interleaf transmission, the tongue-and-groove effect, rounded leaf ends, MLC scatter, beam hardening, and gradual MLC transmission fall-off with increasing off-axis distance. Originally the algorithm was implemented in Mathematica trademark (Wolfram). To speed up the calculation time and to be able to calculate high resolution 2D dose distributions within a reasonable time frame (<2 s) the algorithm needs to be optimized and to be embedded in a user friendly environment. To achieve this goal, the dose ...

69

Stretched DNA Investigated Using Molecular-Dynamics and Quantum-Mechanical Calculations

The rate of appearance of unlabelled glucose was calculated from tracer data and compared with the actual rate of infusion of unlabelled glucose into a anaesthetized dog with all sources of endogenous...Full Text Available

1978-06-15

70

Range and modulation dependencies for proton beam dose per monitor unit calculations

AbstractWe combined atomistic molecular-dynamics simulations with quantum-mechanical calculations to investigate the sequence dependence of the stretching behavior of duplex DNA. Our...Full Text Available

2010-01-06

71

Optimization of extracranial stereotactic radiation therapy of small lung lesions using accurate dose calculation algorithms

Calculations of dose per monitor unit (D∕MU) are required in addition to measurements to increase patient safety in the clinical practice of proton radiotherapy. As in conventional photon and...Full Text Available

2009-02-01

72

Numerical field calculations considering the human subject for engineering and safety assurance in MRI

BackgroundThe aim of this study was to compare and to validate different dose calculation algorithms for the use in radiation therapy of small lung lesions and to optimize the treatment...Full Text Available

73

Neutron data requirements for calculating transactinide isotope build-up in reactors

Numerical calculations of static, switched, and radiofrequency (RF) electromagnetic (EM) fields considering the geometry and EM properties of the human body are used increasingly in MRI to explain...Full Text Available

2009-11-01

74

Determination of Organ Doses During Radiological Examinations and Calculation of Somatically Significant Dose.

Based on a generalized theory of perturbations and on non-linear programming an approach to the quantitative determination of necessary accuracies for nuclear data is described. It is used to calculate transactinide isotope build-up in reactors.

1979-08-01

75

Computer codes for the determination of air flow in buildings; Rechenprogramme zur Bestimmung der Luftstroemungen in Gebaeuden

Examples are used to demonstrate that a shift in the point of emphasis is necessary with regard to radiation hazard in medicinal X-ray diagnosis. The parameters employed in this study to calculate somatic dose (SD) and somatically significant dose (SSD) m...

1980-01-01

76

An implicit curve-fitting method for fast calculation of thermal properties of pure and mixed refrigerants

The report provides and overview of calculation models for the simulation of airflows and deals comprehensively with field and multi-zone models as well as the coupling of individual zone and multi-zone models. Examples of calculations are given. figs., tabs., refs.

1994-12-31

77

Activation calculations using an expanded data base

Calculations of refrigerant thermal properties are desired to be very fast and stable in cases of simulation of refrigeration system, etc. The traditional method based on equation of state cannot meet such requirement because of unavoidable iterations in calculation. In this paper, a new calculation method for refrigerant thermal properties is presented. Low order implicit polynomial equations are got by using curve-fitting method at first, and then explicit formulae for calculating refrigerant thermal properties quickly are obtained by getting the analytical solution of these implicit equations. Explicit fast calculation formulae for thermal properties of R22 and R407C, covering the saturated temperature of -60{approx}80 {sup o}C and superheat of 0-65 {sup o}C, are presented as examples. The calculation speeds of the formulae of R22 are about 140 times faster ...

2005-09-01

78

Accuracy of Contacts Calculated from 3D Images of Occlusal Surfaces

Using an expanded nuclear data base, the activation of nitrogen, aluminum, iron, nickel, copper, zirconium, niobium, molybdenum, tungsten, and lead were calculated for the first wall positions of the STARFIRE and MARS conceptual fusion reactors.

1986-04-01

79

A technique for the fast calculation of three-dimensional photon dose distributions using the superposition model

ObjectiveCompare occlusal contacts calculated from 3D virtual models created from clinical records to contacts identified clinically using shimstock and transillumination.Full Text Available

2007-06-01

80

Wave function of an anisotropic universe

Techniques for reducing computation time in 3D photon dose calculations are addressed with specific emphasis given to the convolution/superposition approach. A single polyenergetic superposition model calculating absorbed dose per incident photon fluence (Gy cm"2) was developed in terms of TERMA and a total energy deposition kernel (a total point spread function). A novel approach was devised for reducing calculation time. The method, named the CF method, was based on the use of a conventional, fast model (here a modified power-law method was used) for the generation of 3D dose distributions on a fine dose matrix. Superposition calculations were carried out on a coarse matrix and calculation speed was increased simply by reducing the number of calculations. A set of correction factors was derived on the coarse grid from the ratio of the dose values from ...

1997-08-01

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81

Wave function of an anisotropic universe

The wave function of the Bianchi type-IX universe with small anisotropy is calculated using the Hartle-Hawking prescription.

1985-06-15

82

Various approximations made in augmented-plane-wave calculations

The wave function of the Bianchi type-IX universe with small anisotropy is calculated using the Hartle-Hawking prescription.

83

Various approximations made in augmented-plane-wave calculations

The effects of various approximations used in performing augmented-plane-wave calculations were studied for elements of the fifth and sixth columns of the Periodic Table, namely V, Nb, Ta, Cr, Mo, and W. Two kinds of approximations have been checked: (i) variation of the number of k points used to iterate to self-consistency, and (ii) approximations for the treatment of the core states. In addition a comparison between relativistic and nonrelativistic calculations is made, and an approximate method of calculating the spin-orbit splitting is given.

1985-10-15

84

Turbulent break-off flows

The effects of various approximations used in performing augmented-plane-wave calculations were studied for elements of the fifth and sixth columns of the Periodic Table, namely V, Nb, Ta, Cr, Mo, and W. Two kinds of approximations have been checked: (i) variation of the number of k points used to iterate to self-consistency, and (ii) approximations for the treatment of the core states. In addition a comparison between relativistic and nonrelativistic calculations is made, and an approximate method of calculating the spin-orbit splitting is given.

85

The Calculation and Measurement of Flexural and ...

Different calculated models are presented for turbulent break-off flows and their classification, reflecting the sequence of historical development. The study was done based on equations of viscous liquid of the Navier-Stokes type with development of special phenomenological models of turbulence which take into consideration real properties of the break-off flows based on simpler models of flow presented in the work. In order to calculate two-dimensional turbulent flows, a method of viscous-nonviscous interaction is used. It employs numerical solutions for nonviscous flow and integrated methods of calculating the dissipative region. This method can be extended for calculating the transonic break-off flows, and also break-off in an incompressible fluid when there is cavitation.

1982-01-01

86

Stochastic Modelling of Seafloor Morphology

... Verheij (1980) described how the frequency domain could be exploited using cross spectral density measurements to measure the flexural ...

1996-02-01

87

Simulation of Pulsed Neutron Activation using a CFD code

... elements of the parameter covariance matrix computed from the partial derivative matrix and Vpqrs(',I). We also calculate ...

1990-06-01

88

Report of the Fluid Dynamics Panel Working Group 10 on calculation of 3D separate turbulent flows in boundary layer limit

Tests for the applicability of a CFD (Computational Fluid Dynamics) code for simulating activity transport in PNA (Pulsed Neutron Activation) fluid measurements have been performed. The CFD code was combined with a Monte Carlo code used for the calculation of the initial activity distribution. The results from the calculations show that it is possible to use CFD for calculation of the activity distribution in PNA. The mainly qualitative results in this work are encouraging and suggest further work. In the continuation of this work a response function for the gamma detector will be calculated so that a PNA time spectrum can be simulated. A more accurate comparison with experimental data can then be performed

2008-09-14

89

Renewable energy systems. Technology, calculation, simulation. 5. actual. ed.; Regenerative Energiesysteme. Technologie - Berechnung - Simulation

The results of a study conducted by Working Group 10 of the AGARD Fluid Dynamics Panel to investigate the limits of boundary layer methods, both the integral and field type formulations, for calculating three-dimensional turbulent separated flow are presented. Test cases used to assess the boundary layer calculations included the DFLVR prolate spheroid at angle of attack and the NASA-Ames Wing C. Comparisons between boundary layer calculations and experimental data are presented for these test cases along with observations, conclusions, and recommendations.

1990-05-01

90

NASTRAN nonlinear dynamic transient accident analysis for FFTF reactor component

This revised edition discusses a large number of renewable energy systems. Future trends are outlined. Economic efficiency calculations are explained and analyzed. Many exemplary calculations and graphical representations illustrate the various technologies and methods of calculation. This standard book addresses university students, scientists and engineers in research and industry. The accompanying DVD is one of the most extensive compilations of demo programs and full versions for simulation of renewable energy systems, all illustrations of the book in electronic format, additional text and a user-friendly navigation aid. (orig.)

2007-07-01

91

Monte Carlo simulations and experimental validations of #alpha# eigenvalues - 091

... computer calculations fftf reactor nonlinear problems reactor accidents reactor

1976-11-14

92

Moment of inertia calculations for some even-even rare earth nuclei

A Monte Carlo method called transient curve fitting method was developed to calculate a eigenvalues by first simulating the existing neutrons and precursors in the system, then calculating the Eigen-distribution of neutron flux and calculating the a eigenvalues using the transient results based on the Eigen-distribution by the code TMCC. The results of this method are tested by calculating Godiva Benchmark problems and they agree well with the benchmark results. Then the reasonable results of Subcritical Facility in Tsinghua University are given by TMCC, and the results are compared with the experimental results measured by Rossi-a method. Even in the deep subcritical cases, the method can give results consistent with experimental results. (authors)

2010-05-09

93

Mathematical child phantom for the calculation of dose to the organs at risk

... angular momentum cranking model even-even nuclei gadolinium 156 governor

94

MINEQL-PC. Chemical Equilibrium Composition of Aqueous Systems

In order to calculate the doses received by the organs of 530 children treated by radiation for cancer between 1945 and 1969 at the G. Roussy Institute, we have developed a computer program for organ location calculation. To calculate the location of each child's organs of interest at the time of the treatment, only two parameters are necessary; sex and height or sex and age when the height at the time of the treatment is unknown. The algorithm is based on the metric studies of growth known as auxology. Each organ is located by one point representing its center. The model has been checked on 100 healthy children.

1988-05-01

95

Level density parameter and fission probability calculations in heavy-ion-induced fission reactions

MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer.

1986-11-21

96

Influence of HNS on the Microstructure and Properties of Cast ...

Based on the single-particle levels given by Nilsson, the intrinsic and effective (with collective effects) level density parameters as a function of the excitation energy for the "1"8"6Os, "1'8"7Ir, "1"8"9Os and "1"9"3Au deformation nuclei have been calculated in the range of the excitation energy up to 150 MeV. The calculated fission probabilities P_f (U) are consistent satisfactorily with the experimental data when a nonadiabatic estimation of the collective effects was used to calculated the nuclear level density parameters.

97

Full-Potential Electronic Structure Method Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory

... The ultimate compressive strength was measured, and values for Young's modulus were calculated from the linear portion of the test curve. ...

1981-04-01

98

Electronic structure calculations of vacancies and their influence on materials properties

Full-Potential Electronic Structure Method

2010-01-01

99

Effective density of rotating nucleons and moment of inertia calculations of deformed nuclei

We provide two examples to illustrate how electronic structure calculations contribute to our understanding of vacancies and their role in determining material properties. Diffusion and elctromigration in aluminium are known to depend strongly on vacancies. Electronic structure calculations show that the vacancy-impurity interaction oscillates with distance, and this leads to an explanation for both the increased elctromigration resistance and the slow impurity diffusion for copper in aluminium. Calculations of vacancies in plutonium have been used in conjunction with positron annihilation lifetime measurements to identify the presence of helium-filled vacanies. Helium stabilization of vacancies can provide the precursors for subsequent vacancy-related changes in materials properties.

1997-08-01

100

Calculations of the self-amplified spontaneous emission performance of a free-electron laser.

... actinides comparative evaluations deformed nuclei even-even nuclei governor

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

101

Calculated neutron capture cross sections to the americium ground and isomeric states

The linear integral equation based computer code (RON: Roger Oleg Nikolai), which was recently developed at Argonne National Laboratory, was used to calculate the self-amplified spontaneous emission (SASE) performance of the free-electron laser (FEL) being built at Argonne. Signal growth calculations under different conditions are used for estimating tolerances of actual design parameters. The radiation characteristics are discussed, and calculations using an ideal undulator magnetic field and a real measured magnetic field will be compared and discussed.

1999-04-20

102

CRC handbook of nuclear reactors calculations. Vol. II

The neutron capture cross sections of "2"4"1Am and "2"4"3Am to the ground and isomeric states of "2"4"2Am and "2"4"4Am have been calculated using the Hauser-Feshbach statistical theory of nuclear reactions for energies from thermal to 2 MeV. The parameters for the calculations were obtained from recent data on ("2"4"1Am + n) and ("2"4"3Am + n) or, where necessary, from systematics of actinide nuclei. The calculated values are in good agreement with the sparse experimental data.

103

Augmented-plane-wave calculation of indirect-exchange matrix elements for gadolinium

This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.

104

A review of best practices for Monte Carlo criticality calculations

(15 Dec 1974). United States Harmon, BN Freeman, AJ Ames

105

A review of Monte Carlo criticality calculations - Convergence, bias, statistics

Monte Carlo methods have been used to compute k{sub eff} and the fundamental mode eigenfunction of critical systems since the 1950s. While such calculations have become routine using standard codes such as MCNP and SCALE/KENO, there still remain 3 concerns that must be addressed to perform calculations correctly: convergence of k{sub eff} and the fission distribution, bias in k{sub eff} and tally results, and bias in statistics on tally results. This paper provides a review of the fundamental problems inherent in Monte Carlo criticality calculations. To provide guidance to practitioners, suggested best practices for avoiding these problems are discussed and illustrated by examples.

2009-01-01

106

A parametric analysis of decay ratio calculations in a boiling water reactor model

Monte Carlo criticality calculations have been performed for over 50 years for reactor physics and criticality safety applications. With today's faster computers, these calculations are being carried out to greater precision (smaller uncertainties) in keff, and detailed distributions of power and reaction rates are being computed routinely. This paper provides a review of the fundamental theory of Monte Carlo criticality calculations, with guidance on practical methods for: (1) assuring convergence of both keff and the source distribution, (2) minimizing the bias in keff and reaction rate distributions, and (3) dealing with the under-prediction bias in uncertainties for keff and reaction rate distributions. (authors)

2009-05-03

107

{sup 3}He spectrum at small atmospheric depths for different geomagnetic cutoff values

The results of an investigation of the effects of several parameters on the reactivity instability of a Boiling Water Reactor (BWR) calculational model are summarized. Calculations were performed for a typical BWR operated at low flow conditions, where reactivity instabilities are more likely to occur. The parameters investigated include the axial power shape (characterized by two separate parameters), the core pressure, and operating flow. All calculations were performed using the LAPUR code which was developed at the Oak Ridge National Laboratory for the dynamic modeling of large BWR's. 4 refs., 8 figs.

1989-01-01

108

Thermodynamic calculations for Otto cycle engines using methanol as a fuel

It is carried out a calculation to determine the energy spectra of secondary {sup 3}He at small atmospheric depths. It is produced in the spallation reaction of primary helium and heavier nuclei in the overlying atmosphere. It is examined the effect of the geomagnetic cut-off on the spectral shape of the secondary {sup 3}He nuclei. The calculations are being carried out for both solar minimum and maximum periods. Results from these calculations will be presented at the Conference.

1995-09-01

109

Thermodynamic calculations for Otto cycle engines using methanol as a fuel

Equations are derived to permit calculation of the work required for the isentropic compression of a two phase fuel-air mixture. Methanol evaporation during compression is shown to substantially reduce compression work and thereby improve cycle efficiency and maximum power. Effects of evaporative cooling in the intake manifold are calculated. 14 refs.

1981-01-01

110

Technique of account of a leak's probability of a steam generator due to destruction of a studs of a collector cover

Equations are derived to calculate the work required for the isentropic compression of a 2-phase fuel-air mixture. Methanol evaporation during compression substantially reduces compression work and improves cycle efficiency and maximum power. Effects of evaporative cooling in the intake manifold are calculated. Energy d. of methanol and gasoline fuel-air charges are compared. The phase equilibrium and evaporation rate are causes of the poor cold-starting performance of methanol.

1981-01-01

111

Spin resonance strength calculations

The approach estimating the leak probability of flanged joint due to the destruction of fastening studs is described. The mentioned approach consists of two stages. The probability of destroying one stud is calculated at the first stage, and the probability of different combination interpositions of intact and destroyed studs is calculated at the second one. The probability calculation of leak in the area of collector cover of steam generator PGV-1000 is used as an example of developed approach

2007-06-01

112

SLAROM-UF: Ultra fine group cell calculation code for fast reactor

In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.

2008-10-06

113

Realistic level density calculation for heavy nuclei

A cell calculation code SLAROM-UF was developed to improve calculation accuracy of effective cross sections for various fast reactor types. SLAROM-UF has a capability to calculate effective cross sections in ultra fine groups of about 100,000 below 50keV and in fine groups above the energy (maximum 900 groups). Resonance interaction among the fuel, the coolant, and the structure materials can be treated accurately even in a heterogeneous cell structure. Temperature can be set up freely in a cell by the ultra fine group calculation. Improvement in nuclear characteristics was observed in the analysis of JUPITER critical experiment, as 0.1% for criticality, 4% for sodium void reactivity, several % for radial reaction rate distribution, when SLAROM-UF was used instead of the typical cell calculation code. The effect of the ultra fine group calculation is remarkable ...

114

Monte Carlo calculation of "1"2"9I and "2"3"7Np transmutation with relativistic protons

A microscopic calculation of the level density is performed, based on a combinatorial evaluation using a realistic single-particle level scheme. This calculation relies on a fast Monte Carlo algorithm, allowing to consider heavy nuclei (i.e., large shell model spaces) which could not be treated previously in combinatorial approaches. An exhaustive comparison of the predicted neutron s-wave resonance spacings with experimental data for a wide range of nuclei is presented.

1994-12-31

115

Lagrange-Function Approach to Real-Space Order-N Electronic-Structure Calculations

Monte Carlo calculations performed to validate observed capture reaction rates of "1"2"9I and "2"3"7Np were in a reasonable agreement with experimental data obtained by the Joint Institute for Nuclear Research. The most significant discrepancy between the measurements and calculations (within a factor of 3) was observed for the NpO_2 sample and Pb target at 3.7 GeV proton energy

1999-09-01

116

Impact of the ENDF/B-VI Cross Section on the RPV Fluence Determination

The Lagrange functions are a family of analytical, complete, and orthonormal basis sets that are suitable for efficient, accurate, real-space, order-N electronic-structure calculations. Convergence is controlled by a single monotonic parameter, the dimension of the basis set, and computational complexity is lower than that of conventional approaches. In this paper we review their construction and applications in linearscaling electronic-structure calculations.

2006-04-01

117

Flavor Mixing of Quarks and Neutrinos

The calculations with the broad-group cross-section library Bugle-96, and atom displacement (dpa) cross sections for iron, both derived from ENDF/B-VI data, result in higher calculated fast neutron fluxes, better agreement of calculations with radiometric dosimeter measurements, and significantly slower dpa rate attenuation through pressure vessel walls relative to the results with their predecessors: the Sailor library and ASTM iron dpa cross sections.

1999-09-12

118

Energy spectra and electromagnetic properties in lithium isotopes

The "texture zero mass matrices" for the quarks and leptons describe very well the flavor mixing of the quarks and leptons. We can calculate the angles of the unitarity triangle. We expect the angle alpha of the unitarity triangle to be 90 degrees. The masses of the neutrinos can be calculated - they are very small, the largest neutrino mass is 0.05 eV. We calculated the matrix element of the mixing matrix, relevant for the reactor mixing angle. It can be measured in the near future in the DAYA BAY experiment.

2011-01-01

119

Elastic scattering of 1 GeV protons from nuclei as a test for flucton model

Li shell-model calculation has been made in the isospin formalism in the complete (0 + n)#Planck constant##omega# model space with the assumption of a closed core "4He. The calculation could probably be improved by use of a better effective interaction and increasing shell model space. With the use of faster computer with large memories, the authors are in hope of calculation in spsd shell-model space

120

Elastic scattering of 1 GeV protons from nuclei as a test for flucton model

Cross sections for elastic scattering of 12 GeV protons from /sup 40/Ca nuclei have been calculated using the flucton model. The influence of the collective flucton nucleon correlations on the calculated cross sections is examined. The calculated cross sections are in significant disagreement with the experimental data. This may be considered as an argument against the flucton model.

1982-04-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

121

Effect of #beta#_4 deformations on decoupled rotational bands in odd-A nuclei

Cross sections for elastic scattering of 12 GeV protons from "4"0Ca nuclei have been calculated using the flucton model. The influence of the collective flucton nucleon correlations on the calculated cross sections is examined. The calculated cross sections are in significant disagreement with the experimental data. This may be considered as an argument against the flucton model. (orig.).

122

Development of an experimental installation for short-lived isotopes production in INR linac

Calculations for a single-j nucleon coupled to an axially symmetric core with both #beta#_2 and #beta#_4 deformation have been performed for "1"8"7Ir. Using #beta#_4=-0.08, consistent with previously measured and predicted values of #beta#_4, the calculated spectrum is competitive with recent calculations assuming an asymmetric core.

123

Calculation of neutron source strength in Fast Flux Test Facility fuel as a function of irradiation

A possibility of short-lived isotopes production in inter-tank section between the first and the second drift tube tanks (20.45 MeV) in INR linac is considered. At the initial stage the main efforts are concentrated on production of fluorine-18 used for positron emission tomography. The results of beam forming calculations, target heating calculations, equipment activation calculations as well as installation configuration and design are presented.

2010-01-01

124

Calculation of Compton profiles of tantalum and tungsten

A method of calculating the neutron source strength in irradiated Fast Flux Test Facility (FFTF), fuel has been developed and is presented in this paper. This method has been used to perform calculations in support of the reactivity monitoring of the FFTF reactor by the modified source multiplication method during refueling operations. 31 refs.

1981-08-01

125

Calculated fluence spectra at neutron therapy facilities

Calculations of the Compton profiles for the transition metals Ta and W are performed, using electron wave functions obtained from self-consistent augmented plane wave (APW) band structure calculations within the local density formalism of Hedin-Lundqvist. Relativistic effects are included except for the spin-orbit interaction. The observed structures of the Compton profiles in these metals are understood in terms of the topology of their Fermi surfaces. (author).

126

Berechnung Stationaerer und Niederfrequent Instationaerer Stroemungen in Einer Dampfturbinen-Endstufe (Calculation of Stationary and Low Frequency Unsteady Flows in a Steam Turbine End Stage).

The Monte Carlo transport codes LAHET and MCNP were used to calculate energy fluence spectra at three neutron therapy facilities. The results compare very favourably with measured data. Kerma spectra and the ratio of ICRU muscle tissue kerma to A-150 kerma, along the carbon to oxygen kerma ratio, were determined. Absorbed dose rate calculations are in reasonable agreement with measured values. Use of these codes to study modifications to existing therapy beams is briefly discussed. (author).

1995-11-13

127

Afterheat assessment for conceptual tokamak reactors

A numerical method for the calculation of unsteady, inviscid turbomachine flow in the transonic velocity range is described. The calculation of complete stages is possible. If the flow layer geometry is given, the flow field can be determined by independe...

1986-01-01

128

A calculation program for electricity generation costs using LOTUS

Afterheat represents an important consideration in design of conceptual fusion power reactors, particularly during normal or unplanned shutdown. Afterheat calculations have been undertaken for various generic designs, but with special reference to the Culham DEMO reactor. These calculations have included the redistribution of heating by gamma ray transport. Selected temperature response calculations have been undertaken. (author).

1987-12-01

129

28: Calculation of 3D dose distribution for photons in inhomogeneous media

This program is designed in order to calculate electricity generation cost by different energy sources, and menu type is adopted for user convenience. This program also graphically shows the share of capital investment cost, O and M cost, and fuel cost. Sensitivity analysis about discount rate can also be carried out by this program, taking into consideration the important role of the discount rate in the generation costs calculation. (Author) 7 refs., 1 fig., 3 tabs.

1994-12-01

130

27: Development of a convolution/superposition method for photon beams

A method for calculation of absorbed dose distributions in three dimensions for 1-20 MeV photons is presented. The method uses convolution/superposition of photon fluence distributions with energy scattering kernels. Results for Co-60 and X-ray beams in homogeneous and inhomogeneous media are compared with measurements. Good agreement is found between calculations and measurements. 8 refs.; 3 figs.

131

The propagation of relativistic heavy ions in multielement beam lines.

The implementation of the convolution/superposition method in real dose planning situations is considered. The modelling of photon spectra, the use of patient and treatment setup information, and the calculation of the photon energy released in a patient are detailed. A comparison is made between the approaches of calculating the relative dose directly and using a factor derived from measurements to correct the calculated relative dose. 13 refs.; 7 figs.

132

Pool critical assembly benchmark solutions using MCNP and THREEDANT

We describe calculations of the energy loss, range, stopping power, multiple scattering, and other related properties of a high-energy heavy-ion beam at any one of a set of beam line elements. A beam line element (e.g., any beam modification, detection, or control device) is characterized by its thickness, areal density, aperture, and function. The loss of multiply scattered particles to any finite-aperture detector is calculated in the small-angle approximation, and the position of the Bragg peak, as given by particles stopping in the second of two ionization chambers used for Bragg curve measurements, is estimated. A general purpose computer program, PROPAGATE, has been written to allow addition, deletion, and modification of the beam line elements used in the calculation and to provide a convenient means of repeating such calculations for arbitrary beam lines. Calculations and ...

133

Coupling calculation of CFD-ACE computational fluid dynamics code and DeCART whole-core neutron transport code for development of numerical reactor

Analyses of pressure vessel damage resulting from neutron irradiation have primarily relied on two-dimensional transport calculations and a spatial-synthesis methodology to accommodate three-dimensional effects in the results of two two-dimensional calculations. In this paper, the authors report on calculations made on the Pool Critical Assembly (PCA) Benchmark, Configuration 12/13, using the three-dimensional, continuous energy Monte Carlo transport code, MCNP, and the three-dimensional, multigroup, diffusion accelerated discrete ordinates transport code THREEDANT. Neutron fluxes and activation rates as determined from these two calculations are compared to each other and to experimental results in the literature. The authors also draw some conclusions on the value of 3D calculations on the interpretation of experimental results.

1994-12-31

134

Calculation of ventilation requirements in the case of intermittent pollution: application to enclosed parking garages

Code coupling activities have so far focused on coupling the neutronics modules with the CFD module. An interface module for the CFD-ACE/DeCART coupling was established as an alternative to the original STAR-CD/DeCART interface. The interface module for DeCART/CFD-ACE was validated by single-pin model. The optimized CFD mesh was decided through the calculation of multi-pin model. It was important to consider turbulent mixing of subchannels for calculation of fuel temperature. For the parallel calculation, the optimized decompose process was necessary to reduce the calculation costs and setting of the iteration and convergence criterion for each code was important, too.

2005-03-15

135

Calculation of electromagnetic force in electromagnetic forming process of metal sheet

The ventilation requirements for decontamination are normally determined with a static calculation method. In some cases, the pollutant emission is intermittent, for example in the car park of an office building, where all the cars enter and leave the place nearly at the same time. Generally, in such a case, the volume of the garage is large, consequently the time constant of the system has a high value. So a static approach would no longer stay accurate and a dynamic evaluation is needed. With the help of some assumptions, calculations remain rather simple and results can be plotted on nomographs or computed on a programmable handheld calculator. The amount of energy saved may appear very large in some cases. A sizing optimization will be required but also remains easy to compute. The paper presents the method of calculation for a single ventilation level and the optimization of a two-level ...

1982-01-01

136

Basis studies on calculation method of time series generation of formaldehyde released from lauan plywood; Rawan goban kara hanatareru horumu arudehido no jikeiretsu hasseiryo no santeiho ni kansuru kisoteki kenkyu

Electromagnetic forming (EMF) is a forming process that relies on the inductive electromagnetic force to deform metallic workpiece at high speed. Calculation of the electromagnetic force is essential to understand the EMF process. However, accurate calculation requires complex numerical solution, in which the coupling between the electromagnetic process and the deformation of workpiece needs be considered. In this paper, an appropriate formula has been developed to calculate the electromagnetic force in metal work-piece in the sheet EMF process. The effects of the geometric size of coil, the material properties, and the parameters of discharge circuit on electromagnetic force are taken into consideration. Through the formula, the electromagnetic force at different time and in different positions of the workpiece can be predicted. The calculated electromagnetic force and magnetic field are in good ...

2010-06-15

137

Validation of WIMS-AECL reactivity device calculations for CANDU reactor

Several proposals have been made on the method of calculating generation of formaldehyde released from plywood. In calculating generation per hour of a volatile organic compound of adhesives or coatings using a chamber method, such models are frequently used that the generation is largest when the specimen is exposed in the chamber and that the generation attenuates with lapse of time. In the meantime, a number of studies for calculating formaldehyde generation from construction materials are often those determining a specific quantity of generation in a stationary state, while few studies are the observation of time series variation from immediately after the exposure into the chamber. Accordingly, the subject studies used lauan plywood as the samples and examined the method of calculating the change with lapse of time of the formaldehyde generation. (translated by NEDO)

2000-01-05

138

Use of neutron and gamma ray spectral measurements and calculations to obtain dosimetric information for DT neutrons

An important component of the overall program to validate WIMS-AECL for use with RFSP in the analysis of CANDU-6 reactors for design and safety analysis calculations is the validation of calculations of incremental cross sections used to represent reactivity devices. A method has been developed for the calculation of the three-dimensional neutron flux distribution in and around CANDU reactor fuel channels and reactivity control devices. The methods is based on one- and two dimensional transport calculations with the WIMS-AECL lattice cell code, SPH homogenization, and three-dimensional flux calculations with finite-difference diffusion theory using the MULTICELL code. Simulations of Wolsung 1 Phase-B commissioning measurements and Point Lepreau restart tests have been performed, as a part of the program to validate WIMS-AECL lattice cell calculations for ...

1997-06-01

139

Use of neutron and gamma ray spectral measurements and calculations to obtain dosimetric information for DT neutrons

Neutron and gamma ray energy spectra were measured using an NE-213 scintillator at depths of 7.2, 15.2, and 22.2 cm in a tissue-equivalent phantom which was uniformly irradiated on one face by deuterium--tritium (DT) neutrons. Coupled neutron--gamma ray multigroup discrete-ordinates calculations were performed using semi-infinite slab geometry. These calculations were used to supplement the measured spectra below 1 MeV. Similar calculations were performed to study the perturbation in the phantom due to the detector. The measured and calculated spectra were used to determine the kerma distributions for neutrons and gamma rays at each location. The gamma radiation was determined to contribute more than 10% of the total dose at each depth. The calculated kerma also reveals that a knowledge of the gamma ray spectra below 1 MeV is desirable. Key words: neutron--gamma spectra, ...

1983-01-01

140

Updated TRAC analysis of an 80% double-ended cold-leg break for the AP600 design

Neutron and gamma ray energy spectra were measured using an NE-213 scintillator at depths of 7.2, 15.2, and 22.2 cm in a tissue-equivalent phantom which was uniformly irradiated on one face by deuterium--tritium (DT) neutrons. Coupled neutron--gamma ray multigroup discrete-ordinates calculations were performed using semi-infinite slab geometry. These calculations were used to supplement the measured spectra below 1 MeV. Similar calculations were performed to study the perturbation in the phantom due to the detector. The measured and calculated spectra were used to determine the kerma distributions for neutrons and gamma rays at each location. The gamma radiation was determined to contribute more than 10% of the total dose at each depth. The calculated kerma also reveals that a knowledge of the gamma ray spectra below 1 MeV is desirable. Key words: neutron--gamma spectra, ...

7871-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

141

Fluence-convolution broad-beam (FCBB) dose calculation

An updated TRAC 80% large-break loss-of-coolant accident (LBLOCA) has been calculated for the Westinghouse AP600 advanced reactor design, The updated calculation incorporates major code error corrections, model corrections, and plant design changes. The 80% break size was calculated by Westinghouse to be the most severe large-break size for the AP600 design. The LBLOCA transient was calculated to 144 s. Peak cladding temperatures (PCTS) were well below the Appendix K limit of 1,478 K (2,200 F), but very near the cladding oxidation temperature of 1,200 K (1,700 F). Transient event times and PCT for the TRAC calculation were in reasonable agreement with those calculated by Westinghouse using their {und W}COBRA/TRAC code. However, there were significant differences in the detailed phenomena calculated by the two codes, particularly during the ...

1995-07-01

142

Computer-tools for calculating quantities, energy and humidity. Working report; Edb-vaerktoej til beregning af maengder, energi og fugt; Arbejdsrapport

IMRT optimization requires a fast yet relatively accurate algorithm to calculate the iteration dose with small memory demand. In this paper, we present a dose calculation algorithm that approaches these goals. By decomposing the infinitesimal pencil beam (IPB) kernel into the central axis (CAX) component and lateral spread function (LSF) and taking the beam's eye view (BEV), we established a non-voxel and non-beamlet-based dose calculation formula. Both LSF and CAX are determined by a commissioning procedure using the collapsed-cone convolution/superposition (CCCS) method as the standard dose engine. The proposed dose calculation involves a 2D convolution of a fluence map with LSF followed by ray tracing based on the CAX lookup table with radiological distance and divergence correction, resulting in complexity of O(N"3) both spatially and temporally. This simple algorithm is orders of magnitude faster ...

2010-12-07

143

Variational approach to nuclear matter

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to the individual computer programmes and prototypes, and examples and diagrams are presented. The programmes included are a geometry programme for the calculation of areas, lengths and ...

1993-03-01

144

Numerical flow simulation in ship and ocean engineering; Senpaku kaiyo suiri bun`ta deno ryutai suchi simulation

We calculated the energies of asymmetric nuclear matter at zero and finite temperatures with the cluster variational method. At zero temperature, the expectation value of the two-body Hamiltonian composed of the kinetic energies and the AV18 two-body forces is calculated with the Jastrow wave function in the two-body cluster approximation. The obtained two-body energy is in good agreement with the result with the Fermi Hypernetted Chain (FHNC) calculation by Akmal et al. The energy caused by the UIX three-body forces is treated somewhat phenomenologically so that the total energy reproduces the empirical saturation point. Furthermore, the parameters included in the three-body energy are readjusted so that the Thomas-Fermi (TF) calculations with use of the obtained energy of nuclear matter reproduce the gross feature of the experimental data on atomic nuclei. The nuclear species in the neutron star crust ...

2010-12-01

145

Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W

The improvement in the functions of the viscous flow calculation method VEGA-SHIP around a ship and the expansion of application range were described as the numerical flow simulation in ship and ocean engineering and at the same time application examples to the ocean engineering by the general-purpose flow simulation code FLOW-3D handling the non-steady flow with a free surface were introduced as the numerical simulation regarding such products as a water gate and a dam. In the VEGA-SHIP, water surface was handled as a fixed wall so that wave could not be calculated. Therefore, an algorithm for calculating wave on the water surface was added to the VEGA-SHIP and a calculation method simultaneously considering the creation of wave around the ship and viscosity was developed. The FLOW-3D was used to calculate the phenomenon where inside liquid moved greatly due to the oscillation of a ...

1995-01-01

146

Input of cogeneration units in the future Dutch electric power supply. Inzet van warmte/krachteenheden in de toekomstige Nederlandse elektriciteitsvoorziening

A scalar-relativistic procedure for calculating the valence-electron contribution to the total energy of bulk and thin-film solids has been developed and applied to the fcc and bcc phases of the group-VIB transition elements Cr, Mo, and W. This approach, which is based on the linear augmented-plane-wave method and local-density-functional theory, contains no shape approximations for either the charge density or potential. The formulation adopts a rigid-core approximation and incorporates an exact treatment of the core-charge tails that extend beyond the muffin-tin spheres. The application of this procedure to bcc Cr, Mo, and W yields calculated lattice parameters and bulk moduli that are in good (Cr) to excellent (Mo and W) agreement with experiment. The present calculated properties also agree quite well with the results of previous calculations involving a variety of band-structure methods. The ...

147

Calculation of radon flux attenuation by earthen uranium mill tailings covers

An investigation was carried out to determine the significance of a large input of cogeneration units for the electric power generation, next to the input of coal and uranium. Thereto a production plant has been set up to generate heat and electric power. The plant serves as a basis for a number of comparative calculations: basic calculations to investigate the influence of some strategies on the cogeneration input, and sensitivity calculations to determine the influence of a few changes in the starting points. Some variants have been deduced from this plant, which is based on prognosis for the year 2000. By means of the computer calculation program OPINIE (Optimale Inzet en Instelling van Eenheden: Optimal Input and Installation of Units) the minimal variable costs were calculated for different situations. Finally for each considered situation the total annual costs have been ...

1987-02-01

148

Calculation of radon flux attenuation by earthen uranium mill tailings covers

This regulatory guide describes methods acceptable to the NRC staff for calculating radon fluxes through earthen covers and for calculating the resulting minimum cover thickness needed to meet NRC and EPA standards. The guide also suggests methods for obtaining the various parameters used in calculating the radon fluxes and earthen cover thicknesses and suggests default values for certain parameters. This regulatory guide is applicable to active uranium tailings sites. The NRC staff is using the methods stated in this guide as a basis for review and concurrence of DOE remedial action plans for inactive sites. The guidance is intended to be used for calculating radon flux attenuation by earthen uranium mill tailings covers. The parameter values and examples presented are limited to earthen cover materials, but the diffusion theory and the methods presented are also applicable to man-made materials. ...

2002-02-24

149

A comparison study for dose calculation in radiation therapy: pencil beam Kernel based vs. Monte Carlo simulation vs. measurements

This regulatory guide describes methods acceptable to the NRC staff for calculating radon fluxes through earthen covers and for calculating the resulting minimum cover thickness needed to meet NRC and EPA standards. The guide also suggests methods for obtaining the various parameters used in calculating the radon fluxes and earthen cover thicknesses and suggests default values for certain parameters. This regulatory guide is applicable to active uranium tailings sites. The NRC staff is using the methods stated in this guide as a basis for review and concurrence of DOE remedial action plans for inactive sites. The guidance is intended to be used for calculating radon flux attenuation by earthen uranium mill tailings covers. The parameter values and examples presented are limited to earthen cover materials, but the diffusion theory and the methods presented are also applicable to man-made materials. ...

1989-06-01

150

Uncertainty analysis in fusion activation calculations: Application to the waste disposal assessment of HYLIFE-II structure

Accurate dose calculation in radiation treatment planning is most important for successful treatment. Since human body is composed of various materials and not an ideal shape, it is not easy to calculate the accurate effective dose in the patients. Many methods have been proposed to solve inhomogeneity and surface contour problems. Monte Carlo simulations are regarded as the most accurate method, but it is not appropriate for routine planning because it takes so much time. Pencil beam kernel based convolution/superposition methods were also proposed to correct those effects. Nowadays, many commercial treatment planning systems have adopted this algorithm as a dose calculation engine. The purpose of this study is to verify the accuracy of the dose calculated from pencil beam kernel based treatment planning system comparing to Monte Carlo simulations and measurements especially in inhomogeneous region. ...

2002-10-20

151

Theoretical calculation for the elastic wave velocities and thermodynamic functions of graphite

A computational procedure is proposed to perform uncertainty analysis for the calculation of the isotopic inventory and radiological quantities obtained as a linear function of it, due to uncertainties in the activation cross sections. The method is applied to determine the uncertainty of the calculated shallow burial index (SBI) from activated type 304 stainless steel (SS) in the most neutron-exposed zone of the HYLIFE-II vessel structure. Results are obtained by means of an element-by-element study. Some other types of steel are also investigated for comparison purposes. The SS304 is confirmed to be the most promising steel option. 16 refs., 2 tabs.

1996-06-16

152

The calculation of derived release limit on Wolsung NPPs based on reduced public dose limit

Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)

2006-06-01

153

Steam turbines. Calculation, construction, partial performance and performance in service, condensation. Dampfturbinen. Berechnung, Konstruktion, Teillast- und Betriebsverhalten, Kondensation

According to enactment of reduced dose limit based on ICRP-60, the calculation of Derived Release Limits(DRL) on Wolsung NPPs was carried out. There are two methods of determination on DRL; that is MPC(Maximum Permissible Concentration) method and system analysis method. In order to use the system analysis method, lots of environmental data are necessary and complicated exposure pathway are considered. So we intend to apply MPC method that is sort of simple. In addition the calculated results were compared with derived release limit on Canadian nuclear power plant.

2000-10-01

154

Operator expansion and calculation of the two-loop Gell-Mann-Low function

All sections of the third edition of this well-known textbook have been revised and enlarged in consequence of the change-over to SI units. Numerous examples and illustrations have been included or replaced by new ones. The book considers the latest research results as well as the constructive developments of industrial steam turbine construction. On a scientific basis, this plain book imparts basic knowledge of the design, calculation, execution, condensation and performance in service of steam turbines of all types. The well-founded introduction, together with many calculated examples addresses the student as well as the engineer.

1980-01-01

155

Nucleon induced reaction cross-sections for strontium and cesium at energies 1 MeV to 10 GeV

Developed is a simple method alloing one to determine the k-loop coefficient of #beta# function in gauge theories provided the operator expansion is constructed in (k-1) loop for certain two-point functions. The calculation of the two-loop coefficient of the Gell-Mann-Low function becomes trival - it reduces to a few algebraic operations with expressions which are already known. As an example spinor, scalar and supersymmetric electrodynamics are considered. Although the corresponding results for #beta#"("2") are known in the literature, both the method of the calculations and some points referring to the construction of the operator expansion are novel.

156

Neutron leakage benchmarks for water moderators

Nuclear reaction cross-sections for stable strontium and cesium isotopes, which were calculated by different approaches, are compared to available experimental data. Neutron and proton induced reaction cross-sections for the long-lived radionuclides [sup 90]Sr and [sup 137]Cs have been calculated in the energy range from 1 MeV to 10 GeV. Recommendations concerning cross-section calculations for strontium and cesium isotopes at intermediate and high energies are given. (orig.)

1993-06-01

157

Monte Carlo Uncertainty Analyses of Pulsed Activation in the National Ignition Facility Gunite Shielding

Fission reaction rates for four nuclides were measured in the leakage spectrum outside spherical water moderators of various radii surrounding a {sup 252}Cf neutron source. Using the MCNP transport code, matching calculations were made with highly detailed modeling of the measurement apparatus. The calculations predicted significantly higher leakage of neutrons in the epicadmium energy range than was found in the measurements. A discrepancy of the same sign but weaker magnitude was found for thermal neutrons. These discrepancies may be relevant to problems with criticality calculations in special cases.

1994-12-31

158

Method of calculation of positions of isotherms of spinodal for solid phase of the type A/sub x/B/sub y/C/sub 1-x-y/D

The global effect of activation cross-section uncertainties on calculated radiological quantities is investigated for the first time using a methodology based on Monte Carlo random sampling. The method is applied to the calculation of the uncertainty in the contact dose rate from the gunite shielding of the National Ignition Facility chamber after 30 yr of pulsed irradiation. Some critical cross section contributing significantly to the overall uncertainty are identified. By a reasonable reduction of the uncertainty in those cross sections, the accuracy in the calculated total contact dose rate is greatly improved.

2003-05-01

159

H-point phonon in molybdenum: Superlinearized augmented-plane-wave calculations

The authors suggest a method of calculation of the isotherms of the spinodal and the heterogeneous equilibria in four-component systems in the framework of a unified thermodynamic model of the solution. The results of their calculations predict the existence of extended regions of immiscibility in the solid phase in the interval of temperatures usually used to obtain epitaxial layers of InAs/sub x/P/sub y/Sb/sub 1-x-y/ and AlAs/sub x/P/sub y/Sb/sub 1-x-y/.

1987-01-01

160

Finite element calculations for eddy current interactions with collinear slots

Local-density-approximation calculations of the H-point phonon frequency of molybdenum were carried out using a new superlinearized augmented-plane-wave basis. The calculated frequency is in quite good agreement with experiment. This indicates that the effect of the many-body renormalization of the electronic states near the Fermi energy on this frequency is smaller than previously suggested. The superlinearized basis and its use to circumvent computational difficulties associated with extended semicore states such as the 4p state of molybdenum is described.

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

161

Estimation of X-rays dose in the crystals of final thickness

The results of finite element calculations detailing the interactions of eddy currents with fine collinear slots in nonferromagnetic and ferromagnetic conductors are presented. These are applicable to both remote field eddy current inspection tools and conventional reflected impedance eddy current probes. The calculations show that, while fine slots have little interaction with collinear induced currents in nonferromagnetic conductors, there are much larger effects in ferromagnetic conductors. This is due to magnetic field interactions. The term eddy current inspection' is therefore somewhat restrictive and the much broader term electromagnetic inspection' is proposed.

1994-01-01

162

Envelope correlation in (N, N) MIMO antenna array from scattering parameters

A calculation method of the X-ray radiation dose (energy of gamma- radiation remains in the range of energies where the mechanism of photoelectric absorption is the prevailing one) absorbed in the absorbers of final thickness is suggested. Calculations of resorption of secondary radiation (characteristic fluorescences) in the substance and kinetic energy of photoelectrons caused by this resorption (it would be enough to consider one or two hard series) are presented. Calculation of the spectrum of photoelectron energy yield in TeInSe_2 monocrystal for 0.1-0.5 A range of X-ray radiation is conducted by the developed methods.

163

DEFF Research Database (Denmark)

A simple closed-form equation to calculate the envelope correlation between any two receiver or transmitter antennas in a multi-input multi-output (MIMO) system of an arbitrary number of elements is derived. The equation uses the scattering parameters obtained at the antenna feed point to calculate the envelope correlation coefficient. This approach has the advantage that it does not require knowledge of the antenna radiation pattern. Numerical data that include conductor and permittivity loss are shown to validate the approach. Using the scattering parameters for calculating the envelope correlation is less laborious and relatively cheaper, as compared to the radiation pattern approach.

2006-01-01

164

Electronic structure of one-to-one and defect scandium sulfide

Determination of Scaling Parameter and Dynamical Resonances in Complex-Rotated Hamiltonian II: Numerical Analysis

Self-consistent electronic structure calculations have been performed on two compositions of scandium sulfide ScS and Sc/sub 3/S/sub 4/. The results of the calculation of ScS are similar to those obtained for other transition metal chalcogenides and are in excellent agreement with heat capacity and reflectance measurements as well as UPS experiments. The calculation of the defect structure indicates the creation of sulfur p nonbonding states in metal-deficient ScS. The valency of the metal ions remains unchanged upon the creation of vacancies.

1984-03-01

165

Coupled-channels calculations of elastic and inelastic scattering

This paper is concerned with the determination of a unique scaling parameter in complex scaling analysis and with accurate calculation of dynamics resonances. In the preceding paper we have presented a theoretical analysis and provided a formalism for dynamical resonance calculations. In this paper we present accurate numerical results for two non-trivial dynamical processes, namely, models of diatomic molecular predissociation and of barrier potential scattering for resonances. The results presented in this paper confirm our theoretical analysis, remove a theoretical ambiguity on determination of the complex scaling parameter, and provide an improved understanding for dynamical resonance calculations in rigged Hilbert space.

2008-03-15

166

Coupled-channels calculations of elastic and inelastic scattering

Cross sections for the elastic and inelastic scattering of /sup 16/O on /sup 58/Ni, /sup 88/Sr, /sup 40/Ca, and /sup 48/Ca have been calculated in a coupled-channels treatment, including the low-lying 2/sup +/ and 3/sup /minus// states of both projectile and target. Real, energy-independent ion-ion potentials and form factors were used, and fusion was simulated by ingoing wave boundary conditions in all channels. The agreement with the measured scattering data is qualitatively as good as obtained in previous optical-model calculations.

1989-07-01

167

Coupled-channels analysis of /sup 12/C and /sup 7/Li scattering using the Watanabe superposition model

Cross sections for the elastic and inelastic scattering of "1"6O on "5"8Ni, "8"8Sr, "4"0Ca, and "4"8Ca have been calculated in a coupled-channels treatment, including the low-lying 2"+ and 3"- states of both projectile and target. Real, energy-independent ion-ion potentials and form factors were used, and fusion was simulated by ingoing wave boundary conditions in all channels. The agreement with the measured scattering data is qualitatively as good as obtained in previous optical-model calculations.

168

Core simulations using actual detector readings for a Canada deuterium uranium reactor

Angular distributions for the elastic and inelastic scattering of /sup 12/C at 80 MeV by /sup 88/Sr and of /sup 7/Li at 36, 42 and 48 MeV by /sup 54/Fe have been analysed. The optical potentials of /sup 12/C and /sup 7/Li ions are calculated in terms of the alpha-particle and triton optical potentials. Coupled-channels calculations using these potentials are performed. Good fits to the experimental data and the phenomenological calculations are obtained for /sup 12/C projectiles.

1983-11-01

169

Calculation of the contributions from high-n dielectronic satellites to the K{alpha} resonance line in helium-like iron

This paper reports that, to obtain better simulation results for a Canada deuterium uranium (CANDU) reactor operation, a new simulation method is developed that uses actual detector readings as a correction factor. Detector readings from a CANDU reactor are used to correct the calculated flux distribution during core calculation iterations. A suitable function is found to describe the relationship between the detector flux and the fluxes of mesh points around the detector. The new simulation method is tested by performing numerical calculations for the Wolsung reactor (a CANDU-600). The results show that the new method predicts the core state more accurately with fewer iterations.

1991-02-01

170

Calculation of eddy current losses in metal parts of power transformers

A simplified relativistic configuration interaction method is used to study the dielectronic satellite transition processes. In this method, the infinite resonant doubly excited states can be calculated, and furthermore, the whole high-n dielectronic satellite transition processes can be treated conveniently by interpolation (rather than extrapolation) in the frame of quantum defect theory. As an example, we calculate the contributions from high-n dielectronic satellites to the K{alpha} resonance line in helium-like iron, and the results are in good agreement with the experimental measurements. (orig.) 39 refs.

1999-02-01

171

Calculating multileg one-loop processes. The case of gg{yields}t anti tgg

To maintain quality, performance and competitiveness, the eddy current losses in metal parts of power transformers in the range of 50-200 MVA are investigated in a more detailed form. The finite element calculations utilize different modelling strategies for the current carrying metal parts. Several global and local results are further used to obtain simplified calculation approaches for an inclusion in the initial design and the design optimization. The results from two finite element approaches using nodal and edge based formulations will be compared with measurements. (Author)

2003-04-01

172

Application of Combined Hartree-Fock-Roothaan Theory to The Study of Electronic Structure of Molecules Using auxiliary Function Qqns and Gq-ns

This study is targeted to the NLO corrections of multileg processes, very important for the LHC. Starting from the construction of Feynman diagrams, the analytical reduction of general one-loop integrals to scalar master ones, the calculation of color structures, manipulation of spinor lines and other amplitude constituents and finally phase space point selection are obtained by use of a program producing Fortran code for numerical calculation of one-loop corrections for processes like gg{yields}t anti tgg. (orig.)

2010-05-15

173

A spatial damage energy distribution calculation for ion-implanted materials

The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.

2008-08-25

174

Wind and Wave Forcing of Longshore Currents Across a ...

A simple method allowing easy calculation of the spatial damage energy distributions for ion-implanted materials is presented. The direct procedure takes account of the variation with depth of the lateral spreading of implanted ions, as well as the effects of energy transport by the recoiling target atoms. The subsequent computer program LUPIN-3D provides three-dimensional damage distributions and allows the construction of damage energy mappings. Various substrates of technological interest are investigated and several fields of application of the calculation are envisaged. The density of cascades can therefore be determined and heterogeneous amorphization models can be implemented. (orig.).

1989-01-01

175

What density-functional theory can tell us about the spin-density wave in

... These assumptions are quantitatively investigated by calculating tie icldti\\e inportance of ... A modified lon-shore current model is used to study the ...

1988-06-01

176

Toward Parsimony in Shoreline Change Prediction (I): Basis Function Methods

The energy-versus-volume curve of the spin-density wave (SDW) in body-centred-cubic Cr is calculated with the density functional theory/full-potential linearized augmented plane wave (DFT/FLAPW) method using the generalized gradient approximation (GGA). The predicted ground state is not the SDW, in contrast to an earlier FLAPW calculation. A conjecture is formulated that the widely varying results of the local density approximation (LDA) and GGA - and of different solution methods - can be scaled by the size of the calculated moment. As a consequence, experimentally relevant properties of the SDW can be calculated by tuning the moment. The implications of these results for the ability of DFT to describe Cr are discussed. (author)

2002-04-01

177

The importance of an accurate target wave function in variational calculations for (e^{+}-H_{2}) scattering

... N ? M is not forgotten during calculations. The parameter covariance matrix, often referred to as the model covariance matrix, ... ...

178

Texture transformations in thermomechanically treated steels having increased nitrogen content and alloys

Using the complex Kohn method, we have calculated variational values of phase shifts and the annihilation parameter, Z_{eff}, for the elastic scattering of positrons by molecular hydrogen. Our results are sensitive to small changes in the accuracy of the wave function representing the target hydrogen molecule. We have developed a systematic approach to demonstrate that, at low positron energies, there are particular forms of the Kohn trial wave function for which the results of variational calculations are not reliable, even when the target wave function accounts for as much as 96.8% of the correlation energy of H_{2}. We find that reliable results can be recovered if our calculations are extended to admit more sophisticated target wave functions accounting for 99.7% of the correlation energy. Remaining discrepancies between theory and experiment are briefly discussed.

2008-01-01

179

Strings, tachyons and deconfinement

In this study the results of mathematical simulation and experimental research of texture transition in stress assisted shear phase transformations are discussed. The orientation distribution function (ODF) calculation model to the any type crystalline lattice symmetry materials has been suggested. By crystalline lattice symmetry analysis this computer program determines necessary amount of the initial experimental data. The experimental verification supports this model well. The ODF calculation model after shear phase transformation with equal use of all possible variants of orientation relationship or with various degrees of variant selection worked out. In this study the experimental and calculating data of the direct and reversal shear transformations #alpha# <=> #gamma# in Fe-alloys and B2 <=> B19' in Ti-Ni alloys are discussed. The stress assisted shear phase transformation model and computer program to ...

180

Strings, tachyons and deconfinement

We argue that the tachyons which exist in some string models are a signal of deconfinement. We compare the deconfinement temperature obtained from Monte Carlo calculations with some string models. (orig.).

1985-10-17

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

181

Simple calculation of daily photosynthesis by means of five photosynthesis-light equations

We argue that the tachyons which exist in some string models are a signal of deconfinement. We compare the deconfinement temperature obtained from Monte Carlo calculations with some string models. (orig.).

182

Saturation effects at LHC energies

The performance of five well-known photosynthesis-light equations is compared by presenting a wide range of solutions in the form of dimensionless nomographs for the case where photosynthetically available radiation (PAR) reduces exponentially down the water column and is distributed sinusoidally through the photoperiod. These provide a simple means of calculating daily photosynthesis at any depth (e.g. at a benthic layer), or through a water column, avoiding the need to perform complex integrations. An examination is made of the accuracy of common approximate methods for calculating daily photosynthesis, assuming constant PAR. For optically deep water a modification is proposed to Talling's planimetric solution, to enable daily photosynthesis to be calculated more accurately, yet simply, over the whole range of possible PAR values. The errors induced by approximating the daily PAR distribution as a half-sinusoid ...

1992-12-01

183

Safety calculation for an underground repository for radioactive waste: the first objective of the alliances calculation software platform

Within the framework of a modified Balitsky-Kovchegov equation, we calculated and provide estimates of non-linear saturation effects expected in the LHC range of energies.

2005-01-01

184

SIM: Stellar Astrophysics - SIM - NASA

The aim of the safety calculation is to quantify through numerical modelling the radiological impact (molar flow, human dose) of a potential repository for radioactive waste on the Meuse/Haute Marne site at Bure. A selection process is underway for safety scenarios and their phenomenological and numerical conceptual models upstream from the safety calculation. This involves defining and quantifying the geometric and dimensional representations of the repository for each scenario plus the physical, mathematical and numerical models that reflect its behaviour and the uncertainties associated with all the parameters required to quantify the impact. A summary will be given of these various aspects. The numerical simulations are then performed on the Alliances platform which integrates the various computer codes required for the physical representation of the system. (authors)

2005-03-14

185

Retirement Plng Wrkshp FERS

... and one near-main-sequence star, which will stringently constrain calculations of single-star evolution at high metallicity. Independent of SIM Lite observations ...

186

Reference neutron transport calculation note for Korea nuclear power plants with 3-loop PWR reactors

The workshop topics consist of FERS, FEGLI, FEHBP, Disability, Deposit/Redeposit ; TSP, Annual/Sick Leave, Annuity Calculation, Best Date to Retire, COLA's, ...

187

Quantification of the influence of the choice of the algorithm and planning system on the calculation of a treatment plan

Reactor pressure vessel (RPV) steels are subjected to neutron irradiation at a temperature of about 290 deg C. This radiation exposure alters the mechanical properties, leading to a shift of the brittle-to-ductile transition temperature toward higher temperatures and to a diminution of the rupture energy as determined by Charpy V-notch tests. This radiation embrittlement is one of the important aging factors of nuclear power plants. U.S. NRC recommended the basic requirements for the determination of the pressure vessel fluence by regulatory guide DG-1025 in order to reduce the uncertainty in the determination of neutron fluence calculation and measurements. The determination of the pressure vessel fluence is based on both calculations and measurements. The fluence prediction is made with a calculation and the measurements are used to qualify the calculational methodology. Because of the importance and ...

1997-05-01

188

Pulsational instability in massive stars: implications for ...

In this work an analysis of the influence of the choice of the algorithm or planning system, on the calculus of the same treatment plan is introduced. For this purpose specific software has been developed for comparing plans of a series of IMRT cases of prostate and head and neck cancer calculated using the convolution, superposition and fast superposition algorithms implemented in the XiO 4.40 planning system (CMS). It has also been used for the comparison of the same treatment plan for lung pathology calculated in XiO with the mentioned algorithms, and calculated in the Plan 4.1 planning system (Brainlab) using its pencil beam algorithm. Differences in dose among the treatment plans have been quantified using a set of metrics. The recommendation for the dosimetrist of a careful choice of the algorithm has been numerically confirmed. (Author).

189

Preliminary Calculations of the Radiation Damage of the Permanent Magnets for TRADE (TRiga Accelerator Driven Experiment)

sive star evolution based on our new calculations of this pulsational instability, where the initial mass of SNe progenitors increases according to the ...

190

Perfect and Incompressible Fluid Flow in Turbomachines.

Monte Carlo calculations of proton irradiation of permanent magnets for the TRADE experiment have been performed. An irradiation dose of about 4´106 Gy/yr/mA has been estimated due to beam losses in normal operating conditions. Existing experimental results indicate that this irradiation level may induce a considerable demagnetization: in fact, a dose of 6´107 Gy induces a remanence loss of 0.3 % on samples of Sm2Co17 magnets, which are the most resistant type. More detailed calculations with the final design of the magnets and of the beam line are suggested, to determine if the irradiation levels allowed a reliable operation of the permanent magnets for the entire duration of the TRADE experiment. Damage and gas production rates have also been calculated; the values obtained are very low, thus confirming that the demagnetization process is in great part reversible.

2002-01-01

191

Optical properties of Nb and Mo calculated from augmented-plane-wave band structures

A method for calculating flow through an airfoil cascade drawn on a surface of revolution is discussed. The three-dimensional flow was assumed to be represented by part-channels of varying width. The basic equations are the equation of continuity and the ...

1974-01-01

192

Nucleon Form Factor Measurements and Interpretation

Nonrelativistic band calculations of Mattheiss for Nb and Petroff and Viswanathan for Mo are used to calculate the imaginary part epsilon_2 of the dielectric function for these metals. The structure resulting from interband transitions in the frequency range 0.1--0.5 Ry is found to give fairly good agreement with experiment. The calculation indicates that structure in epsilon_2 can arise from transitions away from symmetry points and lines in the Brillouin zone. The difficulty in distinguishing between the direct and indirect transition models for epsilon_2 is shown to arise from a lack of strong optical critical points. Predictions of the rigid-band model for the optical properties of Nb-Mo alloys are presented.

193

Monte Carlo optimization technique applied to "2"3"8Pu production in FFTF [Fast Flux Test Facility

The data base for the form factors of the nucleon obtained from elastic ep scattering is discussed, as well as some recent developments in their calculation.

2007-08-22

194

Modelling and design of smoothing reactances. Application to air gap length calculation

An accurate neutronics calculation of a local thermal environment within a fast reactor presents a major challenge. A method was previously described that used Monte Carlo techniques within a macrocell to make accurate and reasonably efficient design calculations for such an environment. This method is now being further optimized for the calculation of "2"3"8Pu production in the Fast Flux Test Facility (FFTF). Here, it is not only important to determine the "2"3"8Pu production from neutron capture in "2"3"7Np, but also to calculate the production of the contamination isotope "2"3"6Pu from high-energy (n,2n) and (#gamma#,n) reactions. The power of the Monte Carlo method to automatically include geometry and energy self-shielding is retained by optimization using fission neutron source biasing in both space and energy.

1989-11-26

195

Modeling of the Three-Body Effects in the Neutral Trimers in the Quartet State by ab initio Calculations. H3, Na3, and Na2B.

A new method for analysis and design of smoothing reactances utilising two-dimensional planar models is presented in this paper. Inductance and magnetic flux density are calculated, and their results compared with those measured experimentally. The results obtained are good if compared with those measured once the machine have been built. Moreover, the method herein developed is applied to the calculation of air gap lengths in terms of the desired current and inductance. The kind of reactances studied presents windings in both limbs and air gaps in the four corners (joint of limbs and yokes). The main contribution of this paper is the presentation of a method of industrial application, to be easily developed, with a very important reduction in the time of machine calculation (due to the decrease in the number of nodes and elements compared with the three-dimensional model) for the determination of the air gap length in ...

2000-08-01

196

Czech Academy of Sciences Repository

Full Text Available

2003-01-01

197

MST Division Work for Others

Linear augmented plane wave method for self-consistent calculations

[[pdf] Reference Guide for Proposals 07/09 [pdf] FY11 Overhead Rate Calculator (xls) DARPA Opportunities NIH Proposals (Leads & Subcontractors) [NIH Office] Related Links MST...

2011-08-27

198

Kinetic study of the cracking, isomerization, and disproportionation of n-heptane on a chromium-exchanged Y zeolite

O.K. Andersen has recently introduced a linear augmented plane wave method (LAPW) for the calculation of electronic structure that was shown to be computationally fast. A more general formulation of an LAPW method is presented here. It makes use of a freely disposable number of eigenfunctions of the radial Schroedinger equation. These eigenfunctions can be selected in a self-consistent way. The present formulation also results in a computationally fast method. It is shown that Andersen's LAPW is obtained in a special limit from the present formulation. Self-consistent test calculations for copper show the present method to be remarkably accurate. As an application, scalar-relativistic self-consistent calculations are presented for the band structure of FCC lanthanum. (author).

199

Intrinsic Acidity of Aluminum, Chromium (III), and Iron (III) mu(3)-Hydroxo Functional Groups from ab Initio Electronic Structure Calculations.

The kinetic rate constants for the cracking, isomerization, and disproportionation of n-heptane over a CrHNaY (32% chromium exchanged) zeolite catalyst at 400, 450, and 470/sup 0/C have been calculated. The interaction of n-heptane with a model Lewis acid such as BF/sub 3/ and progress along the reaction coordinate have been studied by means of molecular orbital calculations. From the kinetic results, i.e., activation energies and frequency factors, and the theoretical calculations, it can be concluded that the controlling step in these reactions is not the formation of the carbonium ion, but the subsequent transformation of this carbonium ion. In addition, the theoretical calculations show that the attack of a Lewis acid is more likely to occur on a carbon atom than on a C-H bond.

1982-09-01

200

Genetic markers for lactation persistency in primiparous Australian dairy cows

There is no abstract currently available for this item

2000-05-15

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

201

British Library Electronic Table of Contents (United Kingdom)

Good performance in extended lactations of dairy cattle may have a beneficial effect on food costs, health, and fertility. Because data for extended lactation performance is scarce, lactation persistency has been suggested as a suitable selection criterion. Persistency phenotypes were calculated in several ways: P1 was yield relative to an approximate peak, P2 was the slope after peak production, and P3 was a measure derived to be phenotypically uncorrelated to yield and calculated as a function of linear regressions on test-day deviations of days in milk. Phenotypes P1, P2, and P3 were calculated for sires as solutions estimated from a random regression model fitted to milk yield. Because total milk yield, calculated as the sum of daily sire solutions, was correlated to P1 and P2 (r=0.30 ...

2010-01-01

202

General Disclaimer One or more of the Following Statements may ...

GHG Inventories & Forecasts: National Inventories and Forecasts...

major radius of the toroidal containment volume. The containment time was calculated using equation (4) as derived in references 16 and 17. The solid ...

203

Fusion in the W_3 algebra

of different transportation fuels (e.g., gasoline, diesel fuel, aviation gasoline, jet fuel, residual fuel oil). Subsequent calculations are performed to estimate the share...

2011-08-26

204

Full potential linearized augmented plane wave calculations of positronic and electronic charge densities of zinc-blende AlN, InN and their alloy Al_0_._5In_0_._5N

We develop the notions of fusion for representations of the WA_2 algebra along the lines of Feigin and Fuchs. We present some explicit calculations for a WA_2 minimal model. (orig.).

1995-01-01

205

Fermion determinants in lattice QCD

A theoretical study of electron and positron band structures of zinc-blende AlN and InN and their alloy Al_0_._5In_0_._5N is presented using the first-principles full-potential linearized augmented plane-wave method. Equilibrium lattices constants are determined from the total-energy minimization method. The results are compared with previous calculations and with experimental measurement. Electron and positron charge densities are computed as function of position in the unit cell. Detailed plots of distributions are along the direction. The ionicity factors are calculated by means of three different approaches. The calculated results of the positron charge density reflect the high insight for the annihilation effect.

2005-06-01

206

Extending the concept of primary and scatter separation to the condition of electronic disequilibrium

The main topic of this thesis concerns efficient algorithms for the calculation of determinants of the kind of matrix typically encountered in lattice QCD. In particular an efficient method for calculating the fermion determinant is described. Such a calculation is useful to illustrate the effects of light dynamical (virtual) quarks. The methods employed in this thesis are stochastic methods, based on the Lanczos algorithm, which is used for the solution of large, sparse matrix problems via a partial tridiagonalisation of the matrix. Here an implementation is explored which requires less exhaustive treatment of the matrix than previous Lanczos methods. This technique exploits the analogy between the Lanczos tridiagonalisation algorithm and Gaussian quadrature in order to calculate the fermion determinant. A technique for determining a number of the eigenvalues of the matrix is also presented. A ...

2001-01-01

207

Economic thickness for industrial insulation

A major deficiency of current photon calculation methods that are based on the concept of primary and scatter separation is their inability to handle the condition of electronic disequilibrium. This deficiency is examined and it is shown that the limitation is not inherent in the algorithms themselves but is, at least in part, in the data which the algorithms use. A new concept of primary and scatter separation is developed to cover the condition of electronic disequilibrium. This new concept requires little change to the existing algorithms and only additional data are required, which are generated using Monte Carlo calculation methods. The new concept is tested using programs in the Theratronics Theraplan treatment-planning system, and two calculation examples illustrate the ability to model electron transport and also the improvement over the existing algorithms. Close analogy of the extended concept with the ...

208

Dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states

This manual is presented in 8 chapters plus appendices. Chapters 1 and 2 are included as background information. The economic insulation thickness is found using the following chapters: Chapter 3, cost of energy (heat and refrigeration); Chapter 4, cost of insulation, and Chapter 5, economic thickness determination. Each of these chapters contains a worksheet, which provides a step-by-step procedure for solving the problem. Nomographs are included in each section for simplifying the required calculations. For subambient temperature systems, the economic insulation thickness calculated with Chapters 3 to 5 should be compared to the thickness required to prevent condensation (sweating), as calculated with Chapter 6. Chapter 7 presents the procedure for calculating economic insulation for retrofit situations. Sample problems are included in Chapter 8.

1983-01-01

209

Creation of the iron-group elements in a supernova explosion

The energy levels, wavelengths, oscillator strengths, Auger rates and level-to-level dielectronic recombination rate coefficients describing dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states are calculated. Our calculations are based on Dr. R.D. Cowan's semi-relativistic mass-velocity and Darwin corrections are included in the Hamiltonian, and the distorted-wave model is used for the calculation of free electron wavefunctions. In order to set the recombination rate coefficients on a level by level basis, in a manner compatible with detailed level population kinetics modelling of highly-stripped ions in plasma, the dielectronic recombination rate coefficients as a function of free electron temperatures are given in an analytical form, which is not only very convenient in practice, but also hopefully accurate compared with the exactly calculated numerical ...

1993-01-01

210

Cooperative Effects on Transient Spectral Hole Burning

The relative abundances of iron-peak elements produced by the e-process in a supernova outburst are calculated. The results agree quite well with the cosmic abundances of elements in the range Z=23--28.

1980-01-01

211

Comparisons of the SCDAP computer code with bundle data under severe accident conditions

... of Dist SpeA tI/ __LLL5' Page 5. 3 the coherent effects on the spontaneous radiation, we calculate the pump- field-induced ...

1992-06-01

212

Comparing dose calculation algorithms for an orthovoltage beam in a bone phantom

The SCDAP computer code, which is being developed under the sponsorship of the United States Nuclear Regulatory Commission, models the progression of light water reactor core damage including core heatup, core disruption and debris formation, debris heatup, and debris melting. SCDAP is being used to help identify and understand the phenomena that control core behavior during a severe accident, to help quantify uncertainties in risk assessment analysis, and to support planning and interpretation of severe fuel damage experiments and data. Comparisons between SCDAP calculations and the experimental data showed good agreement. Calculated and measured bundle temperatures for SFD-ST were within 200 K for the entire bundle and within 20 K for maximum cladding temperatures. For ESSI-2, calculated and measured maximum cladding temperatures were within 50 K, and the extensive liquefaction and relocation that was ...

1983-08-22

213

Cluster approach to quantum-chemical calculations of chemisorption and heterogeneous catalytic systems

The aim of this work was to compare dose calculation algorithm results at orthovoltage energies for a phantom composed of a bone slab in water. The calculation methods investigated were: no correction, ETAR, Batho, convolution/superposition and Monte Carlo. All algorithms calculated depth dose curves in a water phantom within 4% of experiment. However in the bone phantom, differences of over 40% between the No Correction / ETAR / Batho / Convolution and Monte Carlo results in the 1 cm thick bone slab were observed. These differences are predominantly because the algorithms do not account for the differing atomic number of the bone compared to water The increased dose to bone and the tissue adjacent to the bone interface should be considered when treating with orthovoltage photons. Copyright (1998) Australasian Physical and Engineering Sciences in Medicine

1998-09-01

214

Charting the Uncharted Waters - SIM - NASA

The increasing use of quantum-chemical methods in catalysis has underscored the importance of developing and improving semiempirical approximations oriented toward calculations of the total energy and geometry, offering a means for examining intermolecular interactions. In this article a general approach is proposed, using weighting factors for certain regions of distances, i.e., introducing different parametrization into the various regions. A scheme designated MINDO/3-HB is presented as an extension of the MINDO/3 scheme to the region of hydrogen bonds and ..pi..-complexes of olefins with Broensted acid centers (BACs). Examples of cluster calculations are given for the adsorption of ammonia, pyridine, ethylene, and ethanol on the BACs of zeolites. In the example of the process of zeolite synthesis, the possibilities of the cluster approach are discussed for calculations related to the formation of catalysts.

1987-07-01

215

Calculation of the specific heat of magnetic impurities in the Anderson model of the resonant level; Calculo do calor especifico de impurezas magneticas no modelo de Anderson do nivel ressonante

gently constrain calculations of single-star evolution at high metallicity. Independent of SIM Lite observa- tions, we also propose to establish 4) how to ...

216

Calculation of the air flow, air quality and the thermal comfort in an operating room. Berekening van de luchtstroming, luchtkwaliteit en het thermisch comfort in een operatiekamer

No abstract prepared.

2008-07-01

217

Calculation of temperature fields of and stresses in a hot steam generator collector for a WWER-440 reactor

By means of a numerical simulation model (PHOENICS) the air flow and the distribution of the air concentration in an operating room of an hospital have been calculated. Comparisons were made for 11 different conditions (m[sup 3]/h air flow, speed of the air supply in the centre, the middle and outside of the room), of which six cases are discussed in this article, in order to optimize the air flow pattern in the room. The calculations were conducted for the so-called Howorth system. It is shown that the inlet velocity profile with a higher inlet velocity in the center zone of the hood gives the best results. The calculated results were validated by some measurements and experiments with smoke. 7 figs., 2 tabs., 8 refs.

1993-04-01

218

Calculation of model neutron stars with pion condensation

Non-design-basis transition changes in the level fluctuations in the surrounds of a hot steam generator collector for a WWER-440 reactor and the corresponding responses of the temperature fields, strains and stresses are examined. A new approach to the thermal calculation of the horizontal steam generator, which is rapid and affords accurate results, is suggested. An important result of the calculation is the shape of the transition region level and the corresponding distribution of the heat transfer coefficient values. This was used for the calculation of the temperature fields, strain and stress of the hot collector. The stress values obtained were deeply below the yield point of the hot collector material but they get superimposed on the stress from overpressure in the primary and secondary circuits. The obtained fluctuations of the secondary medium level in the surrounds of the hot collector give rise to comparison ...

1989-01-01

219

Calculation of heat-transfer crisis in annular tow-phase flow of a steam-liquid mixture through an annular channel

It is shown numerically that on a time scale of order 1 msec a neutron star with pion condensation will undergo separation into a core and an envelope with a sharp interface. The envelope will not, however, be ejected.

1982-01-01

220

Calculation and Measurement of Transonic Flows over ...

... 5. Formation of the annular two-phase flow regime, with a wavy film on the

1974-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

221

CERL code capabilities for modeling AVT chemistry

... including those with rear separation, ... flows ibout airfoils." AIAA Paper 'Jo 97-0419, 1987). ... "Effects of streamline curvature on turbulent flow." AGARD ...

1988-10-01

222

Augmented-plane-wave calculations on small molecules

The CERL Code was developed to describe the solution chemistry of the water on the steam generating side of PWR reactors. It is designed to calculate the equilibrium species distribution resulting from the interaction of impurities, corrosion products, and additives in the aqueous solution. It calculates the extent of ion-ion interactions, the precipitation of insoluble species and the amount of solute that partitions into the vapor phase when some of the water evaporates. This knowledge of the bulk phase equilibrium distribution of species, especially the pH should be useful in describing the corrosion processes at the solid liquid boundary. The code does not calculate any changes in oxidation states or any rates of reaction. Therefore, it is incapable of calculating the actual corrosion rates. It is anticipated that it will be used as a subprogram of a larger program that will include the redox ...

1985-03-01

223

Augmented-plane-wave calculations of the electronic structure of intermetallic compounds YCu and YZn

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and ...

224

Asymmetric Vortex Flow Over Circular Cones

(1 Aug 1972). United States Belakhovskii, M. Pierre, J. Ray, DK v.

225

A simple way to assess the structure of red giants

... Calculations of asymmetric separated flow past circular ... in Missile Aerodynamics, AGARD CP 336 ... three-dimensional vortex flows in aerodynamics. ...

1991-03-01

226

A review of conservatism for the Canadian exclusion area boundary calculation methodology

A simple semianalytical calculation is used to study how a star reacts when its central stock of hydrogen is exhausted and before the next fusion reaction based on helium begins.

1990-02-01

227

A computational study of aluminum phosphide nanotubes

At present, two types of reactors, Pressurized Light Water Reactor(PLWR) and Pressurized Heavy Water Reactor(PHWR), are operating and under construction in Korea. They are much different in design concepts and inherent features from each other so that the calculation methods for Exclusion Area Boundary(EAB) are also different from each other. Thus, the domestic calculation methodology has been applied to PHWR, Wolsung 2, 3 and 4. In this report, the regulatory requirements and methodologies for EAB of Canadian methodology for EAB has been also investigated. It has been examined that the Canadian methodology which has been applied to the calculation of EAB of Wolsung 2, 3 and 4 can be said to be conservative enough compared to physical phenomena. 4 tabs., 3 figs., 22 refs. (Author).

1996-06-01

228

British Library Electronic Table of Contents (United Kingdom)

Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...

2011-01-01

229

A Simple Model of Vortex Flow Past a Slender Elliptic Cone at ...

/sup 90,91/Zr (n,#alpha#) /sup 87,88/Sr reactions at 14.3 and 18.15 MeV incident neutron energy

... Calculations of asymmetric separated flow past circular ... in Missile Aerodynamics, AGARD-CP-336 ... Marconi Asymmetric separated flows about sharp ...

1990-09-01

230

Verification of the Gaspar dose assessment module used in Maxigasp and Popgasp

Measurements of alpha spectra in the (n, #alpha#) reactions induced on /sup 90,91/Zr at 14.3 and 18.15 MeV incident neutron energy are presented. A microscopic calculation of these spectra has been made using both pick-up and knock-on theories, and in both cases only one overall normalizing factor, which is the same for the two target nuclei and incident energies and all the considered transitions, appears as a free parameter in the calculation. Pick-up calculations provide a very satisfactory reproduction of the data. Knock-on calculations reproduce many qualitative features of the measured spectra, but do not allow a fully satisfactory reproduction of them. While the results obtained do not exclude knock-on contributions to these reactions, their presence is not established.

231

Ventilation intensity - Influence on the air quality and its calculation method; Die Lueftungsintensitaet - Auswirkung auf die Luftqualitaet und deren Berechnungsmethoden

The GASPAR module utilized in MAXIGASP and POPGASP has been verified by hand calculations. The program operates as documented by the NRC [Eckerman et. al. 1980]. Equations used in the code to calculate downwind deposition rates, concentrations in air, on ground surfaces, and in vegetables, meat, and milk are provided in this report.

1992-12-31

232

Uranium Mill Tailings Remedial Action Project (UMTRAP), Slick Rock, Colorado, Revision 1. Volume 1, Calculations, Final design for construction

Because of good thermal insulation of advanced energetic buildings and their good airtightness the air hygiene is insufficient. A normal ventilation behaviour by window opening consumes too much heating energy. A calculation method is shown taking into account a required air change number, flow rate and indoor air quality as thermal comfort in the rooms occupied by different number of persons. (GL)

2006-07-01

233

Uranium Mill Tailings Remedial Action Project (UMTRAP), Slick Rock, Colorado, Revision 1, Volume 4. Calculations, Final design for construction

Volume one contains calculations for: embankment design--embankment material properties; Union Carbide site--bedrock contours; vicinity properties--origin of contamination; North Continent and Union Carbide sites contaminated materials--excavation quantities; and demolition debris--quantity estimate.

1995-09-01

234

Tunneling spectroscopy of anisotropic superconductors

Volume four contains calculations for: Borrow areas--site evaluation; temporary facilities--material quantities; embankment quantities--excavation and cover materials; Burro Canyon site excavation quantities--rippable and unrippable materials; site restoration--earthwork quantities and seeding; and bid schedule quantities and material balance.

1995-09-01

235

Thermal stability of coke

Tunneling spectroscopy of normal-insulator-superconductor junction is investigated theoretically. In anisotropic superconductors, differently from the case of isotropic superconductor, the effective pair potentials felt by quasiparticles depend on the direction of their motion. By taking this effect into account, it is shown that the conductance spectra strongly depend on the crystal orientation. Using Green`s function method, local density of states (LDOS) in superconductor is also calculated. The close relation between conductance spectra and LDOS is presented. The calculation is compared with experimental spectra of high-{Tc} superconductors.

1996-12-31

236

Theory of isomer ratios of shape isomers in heavy ion induced reactions

A method is presented for calculating the thermal stability of blast furnace coke over a wide range of sizes, based on a study of the coke behaviour pattern in the blast furnace and the change in its thermo-elastic properties during reheating. Using as an example a Novolipetsk metallurgical plant, the possibility was demonstrated of using the thermal stability index calculated by the proposed method for an unambiguous assessment of the quality of blast furnace coke.

1983-01-01

237

The triaxial motion in Mo isotopes

A method for the calculation of excitation functions and isomer ratios, for shape isomers, in heavy ion induced reactions is proposed. The calculated values of excitation functions and isomer ratios agree very well with the experimental values for the reaction /sup 238/U(/sup 11/B, alpha 3n)/sup 242/Am. (auth)

1973-11-12

238

The triaxial motion in Mo isotopes

The nuclear shapes of transitional Mo isotopes are calculated by means of a model based on the cranking approximation and the Strutinksy method. The recent experimental results of the high-spin spectroscopy and lifetime measurement of [sup 87]Mo are studied in detail and explained by the evolution of the [gamma]-deformation with the quasiparticle configurations. The shape calculations with the modified-harmonic-oscillator potential give a critical neutron number N [>=] 47 for the spherical shape of the Mo isotopes. (orig.)

1993-11-22

239

The thermodynamic behaviour of spray cooler in the climatic conditions of underground mines. Das thermodynamische Verhalten von Spruehkuehlern unter grubenklimatischen Betriebsbedingungen

The nuclear shapes of transitional Mo isotopes are calculated by means of a model based on the cranking approximation and the Strutinksy method. The recent experimental results of the high-spin spectroscopy and lifetime measurement of "8"7Mo are studied in detail and explained by the evolution of the #gamma#-deformation with the quasiparticle configurations. The shape calculations with the modified-harmonic-oscillator potential give a critical neutron number N #>=# 47 for the spherical shape of the Mo isotopes. (orig.).

240

The nucleon axial charge in full lattice QCD

In this work, the thermodynamic behaviour of single-stage horizontal spray coolers with one or more spray levels is experimentally examined. Further, a spray cooler calculation model was developed, in order to describe the processes and to make a comparison of the results of calculation and measurement. The state of the mine climate and the cold water are taken as the thermodynamic reference. (orig.).

1988-09-14

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

241

The low-current low-temperature plasma generators

The nucleon axial charge is calculated as a function of the pion mass in full QCD. Using domain wall valence quarks and improved staggered sea quarks, we present the first calculation with pion masses as light as 354 MeV and volumes as large as (3.5 fm)3. We show that finite volume effects are small for our volumes and that a constrained fit based on finite volume chiral perturbation theory agrees with experiment within 5% statistical errors.

2005-10-13

242

TRACE code modeling of the horizontal steam generator of the PACTEL facility and calculation of a loss-of-feedwater experiment

In this article, the results of low-current gas-discharge plasma generator investigations carried out by a group of scientists from the Kazan' Aviation Institute are presented. When considered necessary, the results are compared with the data obtained by other authors. The basic configurations and theoretical calculation peculiarities of plasma generators are described. The electrical, thermal and energy characteristics of discharges in gas flows, as well as summarised empirical formulae and experimental data necessary for calculations and design of plasma devices are presented. (author)

2000-07-01

243

TRACE code modeling of the horizontal steam generator of the PACTEL facility and calculation of a loss-of-feedwater experiment

This paper describes the modeling of horizontal steam generator with the TRACE code and calculation results of a loss-of-feedwater (LOF-10) experiment at the PACTEL facility. Parallel Channel Test Loop (PACTEL) is an integral test facility for a VVER-440 type nuclear reactor. The main objectives were to prepare a simulation model for its horizontal steam generator with the TRACE thermal hydraulic code and assess different modeling options of the code. PACTEL experiment LOF-10 was chosen for this assessment. The calculation results showed that TRACE is capable in simulating horizontal steam generator behavior both in steady state and during loss-of-feedwater transient. The phenomenon of heat transfer from primary to secondary side, steam superheating and flow reversal in the lowest heat exchange tubes were studied in detail. Different nodalization options were introduced. In the simulation of PACTEL loss-of-feedwater experiment LOF-10, the main ...

2010-11-15

244

Statistical mechanics and thermodynamics for tachyons

This paper describes the modeling of horizontal steam generator with the TRACE code and calculation results of a loss-of-feedwater (LOF-10) experiment at the PACTEL facility. Parallel Channel Test Loop (PACTEL) is an integral test facility for a VVER-440 type nuclear reactor. The main objectives were to prepare a simulation model for its horizontal steam generator with the TRACE thermal hydraulic code and assess different modeling options of the code. PACTEL experiment LOF-10 was chosen for this assessment. The calculation results showed that TRACE is capable in simulating horizontal steam generator behavior both in steady state and during loss-of-feedwater transient. The phenomenon of heat transfer from primary to secondary side, steam superheating and flow reversal in the lowest heat exchange tubes were studied in detail. Different nodalization options were introduced. In the simulation of PACTEL loss-of-feedwater experiment LOF-10, the main ...

2010-11-01

245

Spin polarization and structure of the sup(181, 182, 187)Re and "1"7"7Ta states

Momentum- and speed-dependent Maxwell-Boltzmann equilibrium distributions have been derived for tachyons and compared with the corresponding relativistic distributions. This is followed by a calculation of the mean, most probable and r.m.s. speeds for both the relativistic and tachyonic distributions. The ideal gas of tachyons is discussed, including calculations of the internal energy and entropy. In each case a comparison is made with the corresponding bradyonic results. It is found that tachyons behave just like bradyons in the high-temperature limit, but have markedly different behaviour at low temperatures.

246

Sandia equation of state data base: seslan File

The properties of "1"7"7Ta and sup(181, 182, 187)Re states are discussed in the framework of the rotational model with the Coriolis coupling. The relations are obtained for calculating magnetic moments by this model in the jlK representation. The valent-nucleon spin polarization found on the basis of a comparison of the experimental values of magnetic moments with the calculated ones, is shown to depend on the number of nucleons of the same type.

1978-03-01

247

SHIELD certification package

Sandia National Laboratories maintains several libraries of equation of state tables, in a modified Sesame format, for use in hydrocode calculations and other applications. This report discusses one of those libraries, the seslan file, which contains 78 tables from the Los Alamos equation of state library. Minor changes have been made to these tables, making them more convenient for code users and reducing numerical difficulties that occasionally arise in hydrocode calculations.

1993-06-24

248

Road traffic exhaust gas emissions in Finland. LIISA 2001.1 calculation model; Suomen tieliikenteen pakokaasupaeaestoet. LIISA 95 -laskentajaerjestelmae

Certification as applied to existing computer codes includes the verification and validation process, placing the code in configuration control, establishing user qualification standards and training requirements. All software intended for use in critical calculations must be certified. This report is intended to fulfill the requirements for the certification of the SHIELD, SHLDED, GEDIT, GENPRT, FIPROD, FPCALC, and PROCES modules of the SHIELD system built February, 1992, by W.S. Parks. These modules are used for burnup, cooling, separate, and edit calculations.

1992-02-01

249

Review of tritium metabolism based on urine bioassay results

This publication describes the modification of the road traffic exhaust emission calculation model LIISA and presents the new calculation results. The model has already established its position as the most important inventory tool for regional road traffic emissions in Finland. The LIISA model calculates road traffic emissions as a whole. The system comprises of three separate models: 1. a model for calculating automobile emissions for the years 2001-2021, 2. a model for calculating emissions backwards for the years 1980-2000, 3. a model for calculating the emissions of motorcycles and mopeds. All three parts have been modified. The LIISA model is one of the submodels of the comprehensive LIPASTO calculation system developed at VTT Building and Transport. The LIPASTO model is an inventory tool for emissions regarding all traffic modes in ...

2002-07-01

250

Reflection tomography using finite element method ray tracing

The effective half-life based on urine bioassay results of Wolsung NPP's worker was calculated. The effective half-life for tritiated water vapour obtained was 5 {approx} 9 days. In comparison to 10 days reported for ICRP-30, it is lower than the corresponding half-life for Reference Man. Also, the half-life was calculated based on intake amount of daily water. According to this result, the metabolism was reviewed.

2001-05-01

251

Rayleigh Scattering in Rare Gas Liquids

The seismic reflection exploration technique which is one of the geophysical methods for oil exploration became effectively to image the subsurface structure with rapid development of computer. As a tool to perform seismic inversion, seismic forward modeling program using ray tracing should be developed. In this study, we have developed the algorithm that is to calculate the travel time of the complex geological structure using ray tracing by subdividing the geologic model into triangular element (finite element) having the constant velocity. We can analytically calculate Jacobian with some information by this current ray tracing. With this Jacobian, we will develop new algorithm which is to obtain geological properties and to image the subsurface. After subdividing subsurface into triangular element we shoot off the ray into subsurface by the Snell`s law. And then after taking the ray path which is similar to proper assumption we can ...

1996-12-01

252

Quantifying octahedral rotations in strained perovskite oxide films.

The Rayleigh scattering length has been calculated for rare-gas liquids in the ultraviolet for the frequencies at which they luminesce. The calculations are based on the measured dielectric constants in the gas phase, except in the case of xenon for which measurements are available in the liquid. The scattering length mayplace constraints on the design of some large-scale detectors, using uv luminescence, being proposed to observe solar neutrinos and dark matter. Rayleigh scattering in mixtures of rare-gas mixtures is also discussed.

2002-01-01

253

Precise calculation of transition frequencies of hydrogen and deuterium based on a least-squares analysis

We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

2010-07-20

254

Polybutylene terephthalate on metals: a density functional theory and cluster models investigation

We combine a limited number of accurately measured transition frequencies in hydrogen and deuterium, recent quantum electrodynamics (QED) calculations, and, as an essential additional ingredient, a generalized least-squares analysis, to obtain precise and optimal predictions for hydrogen and deuterium transition frequencies. Some of the predicted transition frequencies have relative uncertainties more than an order of magnitude smaller than that of the g-factor of the electron, which was previously the most accurate prediction of QED.

2005-01-01

255

Pairing correlation effects on the electron-scattering form factor of the 1/sup +/ state at 3. 486 MeV in /sub 38//sup 88/Sr/sub 50/

The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable orientation. The binding is strongest when the Al is oriented at 180{sup 0} to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated.

2006-02-01

256

Pairing correlation effects on the electron-scattering form factor of the 1"+ state at 3.486 MeV in _3_8"8"8Sr_5_0

The electron scattering form factor for excitation of the 1/sup +/ state of /sup 88/Sr at 3.486 MeV has been calculated in the quasiparticle random phase approximation (QRPA). The disagreement between the data and restricted shell-model calculations can be explained in terms of the pairing correlations introduced by the QRPA; no ..delta..-h admixtures are required.

1985-06-06

257

Optical and statistical model calculation of the americium 242m capture cross section

The electron scattering form factor for excitation of the 1"+ state of "8"8Sr at 3.486 MeV has been calculated in the quasiparticle random phase approximation (QRPA). The disagreement between the data and restricted shell-model calculations can be explained in terms of the pairing correlations introduced by the QRPA; no #DELTA#-h admixtures are required. (orig.).

258

One-loop Helicity Amplitudes for Top Quark Pair Production in Randall-Sundrum Model

The capture cross sections of Am 242m can be deduced from resonances analysis at low energy and computed with theoretical models at high energy. In this work, a coherent set of cross sections which reproduced the experimental values of the fission cross sections is computed. These calculations were performed for an energy of the incoming neutron between 1 keV and 1 MeV.

259

On the calculation of the electrolyte aqueous solution freezing temperature

In this paper, we show how to calculate analytically the one-loop helicity amplitudes for the process $q\\bar{q} rightarrow t\\bar{t}$ induced by KK gluon, using the spinor-helicity formalism. A minimal set of Feynman rules which are uniquely fixed by gauge invariance and the color representation of the KK gluon are derived and used in the calculation. Our results can be applied to a variety of models containing a massive color octet vector boson.

2011-01-01

260

Numerical error analysis of direct integration method

Analytical expression of the dependence of freezing temperature of electrolyte (CdCl_2, CdSO_4, BeSO_4) aqueous solutions on their composition was found. Three different methods were suggested were suggested for calculation of water activity in multicomponent solution. It was established that sublinear extrapolation of freezing temperature of salt aqueous solutions was possible not up to -5 deg C, but up to -15 deg C, independently of their composition. 6 refs.; 2 figs.

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

261

Numerical calculation of the transient response of transmission systems using the natural spline functions, with applications on high-voltage transmission lines

Numerical errors of PALLAS calculation due to spatial mesh sizes are examined for a typical deep penetration shielding problem of isotropic incident fission neutrons penetrating a 200-cm-thick water slab. The exponential approximation for the source spatial distribution to solve the transport equation based on the direct integration method is verified to be effective for radiation transport in attenuating medium, while the linear approximation employed in the old PALLAS code is found to produce large errors for calculations with large mesh sizes.

1986-01-01

262

Nucleosynthesis in early supernova winds III: No significant contribution from neutron-rich pockets

To determine the transient response of linear and time-invariant transmission systems which are only described for discret frequencies, it is possible to find a good functional approximation by means of the generalized impulse method, combined with the most important natural spline-interpolation functions of the first and the third degree. This procedure has been applied to calculate the step response of the transient behaviour of the zero-sequence impedance system of the high voltage transmission line.

1981-10-01

263

Nucleon transfer contribution to the absorptive heavy ion potential by the Monte Carlo simulation method

Recent nucleosynthesis calculations of Type II supernovae using advanced neutrino transport determine that the early neutrino winds are proton-rich. However, a fraction of the ejecta emitted at the same time is composed of neutron-rich pockets. In this paper we calculate the nucleosynthesis contribution from the neutron-rich pockets in the hot convective bubbles of a core-collapse supernova and show that they do not contribute significantly to the total nucleosynthesis.

2007-01-01

264

Nodalization schemes for PGV-440 steam generator model with RELAP5/MOD3

The Monte Carlo simulation method is applied to calculate the nucleon transfer part of the imaginary optical-model potential in colliding heavy ions. In the process of transfer of nucleons from one nucleus to the other, forward and backward neutrons and protons are treated separately by taking into consideration the effect of the Coulomb forces and the potential energy surfaces (driving forces). The Pauli exclusion principle is also incorporated properly in the calculation.

1988-08-08

265

Nodalization schemes for PGV-440 steam generator model with RELAP5/MOD3

Results of calculation of steady thermal-hydraulic characteristics of PVG-440 horizontal steam generator are presented. Steam flows in selected sections are compared to data provided by OKB Gidropress Calculated vapor void fractions are compared to measured ones. (orig.) (3 refs., 3 figs., 8 tabs.).

1993-12-31

266

Monte Carlo design calculations for a neutron imaging facility collimator

Results of calculation of steady thermal-hydraulic characteristics of PVG-440 horizontal steam generator are presented. Steam flows in selected sections are compared to data provided by OKB Gidropress Calculated vapor void fractions are compared to measured ones. (orig.) (3 refs., 3 figs., 8 tabs.).

1992-09-29

267

Molecular statistical calculations of the adsorption of proline and its hydroxy derivatives on graphitized thermal carbon black

A thermal neutron imaging facility for computed tomography and real-time neutron radiography is being developed at the University of Texas at Austin. The TRIGA reactor is a graphite-reflected Mark It pool-type research reactor. The neutron imaging facility will use beam port, which is at one end of a through part. Monte Carlo calculations were used to design the neutron collimator for this facility.

1996-12-31

268

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

2009-01-01

269

Molecular statistical calculations of the adsorption of proline and its hydroxy derivatives on graphitized thermal carbon black

Mean magnetic moments of polycrystalline Ce compounds in a tetragonal crystal field

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

2009-04-01

270

M 1 decay rates of heavy quarkonia with a nonsingular potential

An alternative and graphical representation of the magnetic moment and the effective paramagnetic moment for polycrystalline Ce compounds with tetragonal site symmetry is described. The reduced moments can be calculated by means of standard perturbation theory. The calculated values deduced from the ground states of CeCu_2Si_2, CeRu_2Si_2, and CePd_2Si_2 polycrystals are compared with experimental magnetic moments.

271

Investigation of free-forced convection flows in cavity-type receivers

We use a nonsingular-potential model for heavy quarkonia proposed by Gupta, Repko, and Suchyta to calculate the transition amplitudes for the magnetic-dipole ({ital M}1) one-photon radiative decays of the {ital c{bar c}} and {ital b{bar b}} bound systems. The wave functions of the bound systems are calculated by a nonperturbative treatment. The results are in better agreement with the experimental data than those predicted using other potential models.

1991-09-01

272

Interactions between heavy mesons and Goldstone bosons from chiral dynamics

A numerical calculation procedure applicable to cavity-type receiver configurations and flow conditions was developed. Flow visualization experiments were performed, and experimental measurements of quantities valuable for the development of the numerical calculation procedure were made. The investigation is focussed on a configuration which is strongly two-dimensional in the mean flow structure (but turbulent in a truly three-dimensional sense). (LEW)

1982-07-01

273

Implementation of FFT convolution and multigrid superposition models in the FOCUS RTP system

We calculate the S-wave scattering lengths for charmed mesons scattering off Goldstone bosons and explore their quark mass dependence using the chiral perturbation theory up to next-to-leading order as well as a unitarized version of it. The quark mass dependence of all scattering lengths determined in a recent lattice calculation can be reproduced by the unitarized version. We also discuss signals of possible bound states in these observables. (orig.)

2009-05-15

274

Horizontal steam generator modelling with CATHARE; validation of several nodalization schemes on plant data

In radiotherapy treatment planning, convolution/superposition algorithms currently represent the best practical approach for accurate photon dose calculation in heterogeneous tissues. In this work, the implementation, accuracy and performance of the FFT convolution (FFTC) and multigrid superposition (MGS) algorithms are presented. The FFTC and MGS models use the same 'TERMA' calculation and are commissioned using the same parameters. Both models use the same spectra, incorporate the same off-axis softening and base incident lateral fluence on the same measurements. In addition, corrections are explicitly applied to the polyenergetic and parallel kernel approximations, and electron contamination is modelled. Spectra generated by Monte Carlo (MC) modelling of treatment heads are used. Calculations using the MC spectra were in excellent agreement with measurements for many linear accelerator types. To speed up the ...

2000-04-01

275

Horizontal steam generator modelling with CATHARE; validation of several nodalization schemes on plant data

The results of the development work to improve the horizontal steam generator modelling using the CATHARE code as well as the results of the steady-state and the steam-line break calculations are presented. Also the results of the steady-state calculations are compared to the measurements performed in operating VVER power plants. (9 refs., 6 figs., 2 tabs.).

1993-12-31

276

Heavy and light quarks in the instanton vacuum

The results of the development work to improve the horizontal steam generator modelling using the CATHARE code as well as the results of the steady-state and the steam-line break calculations are presented. Also the results of the steady-state calculations are compared to the measurements performed in operating VVER power plants. (9 refs., 6 figs., 2 tabs.).

1992-09-29

277

Governor model for asymmetric deformed nuclei

Assuming the gluon field is well approximated by instanton configurations we derive a light quarks determinant and calculate its contribution to the specific heavy quarks correlators -- namely, the heavy quark propagator and heavy quark-aniquark correlator, receiving the instanton generated light-heavy quarks interaction terms contributions. With these knowledge we calculate the light quark contribution to the interaction between heavy quarks, which might be essential for the properties of a few heavy quarks systems.

2011-01-01

278

Field Test Protocol: Standard Internal Load Generation in Unoccupied Test Homes

The governor model is extended to include the asymmetric shape of nuclei which allows a simultaneous analysis of the data for both the ground state and the #gamma#-vibrational bands in deformed even-even nuclei. The rotationally invariant core is assumed to be a spheroid with an axis of symmetry parallel to the axis of rotation. The calculations are carried out under the assumption of no stretching. The static #gamma#-deformation results are compared with the VMI(ARM) and Krutov values, and the calculated energies are in good agreement with the experimental data.

279

Feynman integrals and difference equations

This document describes a simple and general way to generate House Simulation Protocol (HSP)-consistent internal sensible and latent loads in unoccupied homes. It is newly updated based on recent experience, and provides instructions on how to calculate and set up the operational profiles in unoccupied homes. The document is split into two sections: how to calculate the internal load magnitude and schedule, and then what tools and methods should be used to generate those internal loads to achieve research goals.

2011-06-01

280

Enhanced heat transfer through oscillatory flow

We report on the calculation of multi-loop Feynman integrals for single-scale problems by means of difference equations in Mellin space. The solution to these difference equations in terms of harmonic sums can be constructed algorithmically over difference fields, the so-called {pi}{sigma}{sup *}-fields. We test the implementation of the Mathematica package Sigma on examples from recent higher order perturbative calculations in Quantum Chromodynamics. (orig.)

2007-09-15

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281

Electron impact excitation of lithium-like iron

The enhancement of longitudinal heat transfer by means of fluid pulsation in a pipe has been investigated analytically and numerically, including the transient state. The effects of pulsation amplitude, frequency, and pipe length on thermal properties such as effective thermal diffusivity and delay time are clarified. Their effects on numerical calculations are also presented and suggestions for efficient numerical calculations of this problem are made concerning the combination of parameters.

1994-03-01

282

Disorder and superconductivity in A-15 compounds

Calculations of total and angle-differential excitation cross sections for the electron impact excitation of lithium-like iron were performed with the R-matrix formulation. The alignments of the excited states 1s{sup 2}np {sup 2}P{sub 3/2} are also presented for n=3 and 4 along with the angular photon distribution from these states to the ground state. Relativistic effects were included in the present calculations by the Breit-Pauli Hamiltonian.

1996-05-01

283

Cut diagrams for high energy scatterings

The universal depression of the superconducting transition temperature T/sub c/ in disordered A-15 compounds is examined. Existing energy-band calculations are used to calculate the density of electron states, which is possibly enhanced by disorder in some cases such as Nb_3Ge. The dramatic drop in T/sub c/ in Nb_3Ge at a critical value of the resistivity is attributed to overdamping of acoustic plasmons which decreases the electron pairing interaction despite small changes in the density of states.

284

Comparison of calculated and measured irradiated wire data for HEU and mixed HEU/LEU cores in the ORR (Oak Ridge Research Reactor)

A new approach is introduced to study QCD amplitudes at high energy and comparatively small momentum transfer. Novel cut diagrams, representing the resummation of Feynman diagrams, are used to simplify the calculation and to avoid delicate cancellations encountered in the usual approach. An explicit calculation to the sixth order is carried out to demonstrate the advantage of cut diagrams over Feynman diagrams. copyright 1996 The American Physical Society.

285

Comparison of EH with SW-Xsub(alpha) calculations

Low power wire activations are being performed in the Oak Ridge Research Reactor (ORR) as part of the whole-core LEU demonstration experiments. Calculations of the demonstration cores, including simulation of the wire activations, are being performed at Argonne National Laboratory (ANL). This paper presents the results of comparisons for 293 wires from five cores and shows that, on the average, the integrated activities agree within 6%.

1986-01-01

286

Charmonium with three flavors of synamical quarks

The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

1981-01-01

287

Calculation of the thermal load of a high voltage cable with forced circulation of oil with the help of modeling on an analog computer

We present a calculation of the charmonium spectrum with three flavors of dynamical staggered quarks from gauge configurations that were generated by the MILC collaboration. We use the Fermilab action for the valence charm quarks. Our calculation of the spin-averaged 1P-1S and 2S-1S splittings yields a determination of the strong coupling, with {alpha}{sub {ovr MS}}(M{sub Z}) = 0.119(4).

2003-12-23

288

Calculation of the temperature dependence of the phonon spectrum of Nb/sub 3/Sn

Equations are compiled for thermal balance in which for simplification, no consideration is made for heat conductivity along the axis of the cable and dependence of losses, heat capacitance and heat conductivity on temperature. Equations are modeled on a transistor analog calculator 42 TA. The solution to the task on the computer produced values of maximum temperature on the cable and coordinates of the point of maximum overheating. Using the analog model, one can study other parameters of the thermal mode.

1980-01-01

289

Calculation of the imaginary part of the heavy ion potential

With the help of the symmetry at the P point, we have determined the relations between the force constants and the moduli of elasticity for A-15 compounds. Based on these relations, a semi-experimental method for the study of the lattice dynamic behaviors of A-15 compounds is developed. Numerical calculations of the phonon spectrum of Nb/sub 3/Sn and its temperature dependence have been made, and they are in good agreement with the experimental data.

1986-12-01

290

Calculation of the imaginary part of the heavy ion potential

The paper contains a numerical evaluation of the expressions for the absorptive potential in heavy ion reactions given earlier. With a standard folding expression for the real part of the ion-ion potential general good agreement is found with experimental data for the angular distributions of elastic and inelastic scattering. Special interest is attached to the case of /sup 16/O + /sup 28/Si where the calculated imaginary potential is very small at low bombarding energies.

1983-09-19

291

Calculation of henry constants for the adsorption of isomeric phenylenediamines on graphitized thermal carbon black

The paper contains a numerical evaluation of the expressions for the absorptive potential in heavy ion reactions given earlier. With a standard folding expression for the real part of the ion-ion potential general good agreement is found with experimental data for the angular distributions of elastic and inelastic scattering. Special interest is attached to the case of "1"6O + "2"8Si where the calculated imaginary potential is very small at low bombarding energies. (orig.).

292

British Library Electronic Table of Contents (United Kingdom)

Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433?479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.

2009-01-01

293

Calculation of henry constants for the adsorption of isomeric phenylenediamines on graphitized thermal carbon black

Calculation of general p-adic Feynman amplitude

Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433-479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.

2009-12-01

294

Calculation of fission product behaviour in a station blackout accident of Daya Bay Nuclear Power Plant

The general n-point massless p-adic Feynman amplitude with arbitrary parameters of analytic regularization for each line is calculated. This result is presented in the form of a sum over hierarchies of a given graph. The structure of ultraviolet and infrared divergences of p-adic Feynman amplitudes is characterized and the star-triangle uniqueness identity in the p-adic case is derived. (orig.).

1992-10-01

295

Calculation of conditions with drop of the level over PGV-1000 secondary side using dinamika-5 code

The early accident Sequence of the Station Blackout accident is simulated for Daya Bay Nuclear Power Plant, using MELCOR code. The radioactivity of main fission products was derived after calculating the source term in containment. The data will be used for Daya Bay NPP PSA analysis

2002-12-01

296

Calculation of atomic spontaneous emission rate in 1D finite photonic crystal with defects

There is a short description of DINAMIKA-5 code and calculation results for some conditions with level drop in the volume of the secondary circuit during RCP disconnection and decrease of feedwater flowrate at NPP units with VVER-1000 reactors. (orig.) (3 refs., 9 figs.).

1993-12-31

297

Calculation method for microwave pyramidal horn radiators with curvilinear generatrix

We derive the expression for spontaneous emission rate in finite one-dimensional photonic crystal with arbitrary defects using the effective resonator model to describe electromagnetic field distributions in the structure. We obtain explicit formulas for contributions of different types of modes, i.e. radiation, substrate and guided modes. Formal calculations are illustrated with a few numerical examples, which demonstrate that the application of effective resonator model simplifies interpretation of results.

2009-01-01

298

British Library Electronic Table of Contents (United Kingdom)

Calculation method for pyramidal horn radiators (PHR) with curvilinear generatrix has been developed on the basis of the theory of waveguide tapers. This method makes it possible to reduce the value of spurious reflection coefficients and transformation of the principal wave into waves of higher order modes by forming generatrixes of walls with specific curvilinearity.

2008-01-01

299

Calculating ac/dc resistance ratios for high-pressure oil-filled cable designs. Volume 2. Details of mathematical derivations. Final report

Calculated valence electronic structure of 3d metals for use in the X-ray intensity ratio studies

Conventional methods for calculating electricity losses in pipe-type cable systems rely heavily on data measured in lower-voltage systems in the 1950s. With the new technique developed in this study, engineers can compute power losses more precisely for cables of various configurations and voltage ratings.

1985-04-01

300

Calculated valence electronic structure of 3d metals for use in the X-ray intensity ratio studies

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

2010-09-15

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

301

Automatic computation of three-loop two-point functions in large momentum expansion

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

2010-09-01

302

Antiproton production of propagating cosmic rays under distributed reacceleration

We discuss the calculation of two-point three-loop functions with an arbitrary number of massive propagators and one large external momentum. The relevant subdiagrams are generated automatically. The resulting massless two-point integrals and massive tadpoles are transformed on-line to FORM-expressions ready to be used by existing FORM packages which calculate them analytically. As an example we compute the quartic mass corrections to the photon polarization function. (orig.).

303

Anisotropic many-body effects in the quasiparticle velocity of Nb

The available measurements on the cosmic-ray antiproton/proton ratio show an excess of antiprotons above predictions derived in the framework of the standard picture of cosmic-ray origin and propagation. Calculations are performed of the production from collisions of cosmic rays with the interstellar gas under the condition of distributed reacceleration. It could be shown that the calculated antiproton/proton ratio is enhanced compared to that derived from the leaky box model, but it remains difficult to bring it into agreement with the data by reasonable astrophysical assumptions. 15 references.

1987-09-01

304

Analytical determination of the dimensions and evolution with current of the ion-emitting jet in liquid-metal ion sources

Fermi radii and velocities are determined by deconvoluting de Haas-van Alphen data. Comparison of these data with accurate augmented-plane-wave band-structure results establishes the reliability of the augmented-plane-wave calculations and allows a determination of the anisotropic many-body enhancement factor lambda(k). The Fermi-surface average of 1.33 suggests a large electron-electron contribution. Our anisotropic lambda(k) porvides a detailed test and guide for model calculations of many-body enhancement.

305

An intelligent management system for corporate information- calculating network development

The apex dimensions and length are calculated as a function of current for the ion-emitting jet in liquid-metal ion sources (LMIS). The results agree well with observations. Since the final expressions are analytical, they give more insight into the fundamental mechanisms involved than do numerical calculations. Some implications of the model are discussed concerning focused ion beam (FIB) systems employing LMIS. (author).

1991-12-14

306

Accuracy of calculations for stereotactic radiotherapy of the lung. Comparison of dose calculation algorithms

An approach to solving the problem of managerial control quality improvement corporate information-calculating networks (CICN) is proposed. The approach is based on the concept of a flexible toolkit. A macro-model, system-science and system-engineering models of an intelligent managerial control system (IMCS) for CICN development are considered as well as its dynamics. The practical opportunity of IMCS implementation is assessed. (5 refs).

2001-01-01

307

Ab initio molecular dynamics with born-oppenheimer and extended lagrangian methods using atom centered basis functions

The purpose of this study is to evaluate the accuracy of dose calculations by three algorithms. Depth dose, OPF (Output Factor) and dose profiles were measured in a heterogeneous phantom. These values were also calculated by three algorithms of the Batho power law (BPL), Equivalent-Tissue Air Ratio (ETAR) and Convolution superposition (CS). The data were obtained for 4, 6 and 10 MV photon beams with a linear accelerator (Varian 21EX). Field size ranged from 3 x 3 cm"2 to 10 x 10 cm"2. Dose profiles of beam penumbra were also measured by a 0.125 ml ionization chamber at the point of 8, 13 and 18 cm from the surface of the phantom at intervals of 1 mm. Differences between measured and calculated depth doses were within 2% in BPL and CS, but depth doses were overestimated in ETAR. OPFs were also overestimated with the error of more than 4% in ETAR. Absorbed dose calculated by CS were in agreement with the ...

2004-12-01

308

Ab initio calculations in a uniform magnetic field using periodic supercells

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

2003-06-01

309

A nonlinear model for DNA dynamics

We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.

2003-10-21

310

A nanoscale understanding of the adhesion of polybutylene terephthalate on aluminum

In this paper the thermal equilibrium number of solitons in DNA as a function of absolute temperature and the number of base pairs is calculated. These calculations are effected by modeling DNA as a Toda lattice with parameters chosen to match experimentally measured properties of DNA. It is found that a significant number of solitons is generated at physiological temperature. 23 refs., 2 figs.

1989-07-01

311

British Library Electronic Table of Contents (United Kingdom)

The adhesion strength of polybutylene terephthalate (PBT) on aluminum was investigated using density functional theory-based total energy calculations. Aluminum atom was connected to a PBT monomer at different orientations and total energies were calculated in order to determine the most stable orientation. The energy differences showed that the Al oriented at 180degree with the ester group of the monomer bonded strongly. Using this orientation, the PBT monomer-adhesion on aluminum surface and the aluminum atom adhesion on PBT bulk were also investigated.

2007-01-01

312

A microscopic description of neutron-rich lithium isotopes

A comparison of methods for calculating audible noise of high voltage transmission lines

A unified calculation of neutron-rich isotopes in lithium is performed using the hyperspherical basis in which the underlying symmetry of each isotope exhibits a simple structure. The variation of the binding energy as a function of mass number is qualitatively reproduced, and the asymptotic of radial distribution of each isotope decreases exponentially. The form factors of the lithium isotopes are calculated and display diffraction minima. 27 refs., 3 figs., 3 tabs.

313

The validity of the density scaling method in primary electron transport for photon and electron beams

During the last several years, audible noise produced by high voltage transmission lines in corona has emerged as an important design consideration. In this same time frame a number of different methods for calculating audible noise levels have been proposed. The methods currently available, for both ac and dc lines, are described in this paper and are compared through application to practical line geometries for which data from long-term measurements are available.

1982-10-01

314

Stable atomic structure and magnetism of Pt-Cr binary surface alloys on Pt(0 0 1): First-principle calculations

In the convolution/superposition method of photon beam dose calculations, inhomogeneities are usually handled by using some form of scaling involving the relative electron densities of the inhomogeneities. In this paper the accuracy of density scaling as applied to primary electrons generated in photon interactions is examined. Monte Carlo calculations are compared with density scaling calculations for air and cork slab inhomogeneities. For individual primary photon kernels as well as for photon interactions restricted to a thin layer, the results can differ significantly, by up to 50%, between the two calculations. However, for realistic photon beams where interactions occur throughout the whole irradiated volume, the discrepancies are much less severe. The discrepancies for the kernel calculation are attributed to the scattering characteristics of the electrons and the consequent ...

315

Parameters determination of IEC-TDG by directly solving non-linear equation; Chokusetsuho ni yoru IEC-TDG hakei kaiseki

The possibility of Pt-Cr surface alloys formation on Pt(0 0 1) was investigated and their magnetism was calculated by the full-potential linearized augmented plane wave (FLAPW) method with eight different atomic configurations. The most stable structure was calculated to be the Pt-segregated L1_2 ferromagnetic surface alloy. A_3B types (L1_2 or D0_2_2) were more stable compared to AB types (L1_0). It implies that the A_3B type surface alloys may be formed when depositing a monolayer of Cr on Pt(0 0 1). It was found from the total energy calculations that there exists a strong tendency of the Pt segregation. The segregation further stabilizes the surface alloy significantly. The work function of the most stable surface alloy was calculated to be 6.02 eV and the magnetic moment of the surface Cr was much enhanced to 3.3 #mu# _B. It is a quite interesting finding that the coupling between Cr and Pt atoms ...

2006-09-01

316

Neutron and gamma transport in air by TRIPOLI-2 time dependent energy deposition and electron current calculation

An IEC-TDG waveform analysis program that can accurately calculate the waveform parameters in waveforms containing much noise as well as waveforms based on the IEC 1083-2 standard was developed in the impulse voltage and current test field. In the conventional curve fitting method, it is difficult to solve the non-linear equation directly when obtaining waveform parameters from the assigned discrete data. An approximate solution method is low in precision. Therefore, the residual between the standardized data and approximate function was calculated for high-speed Fourier transformation. Unrelated components were eliminated from the calculated frequency spectrum to synthesize waveforms. An L-M method is used for analysis. The solution is first tracked by a maximum diving method. If the convergence is judged to have been largely promoted, the method is switched into a Newton method to continue the ...

1997-04-20

317

Load calculation and system evaluation for electric vehicle climate control

The electromagnetic field due to an air explosion is here studied: neutron and the gamma-rays, generated by neutronic reactions, deposit energy which ionizes atmosphere; recoil electrons are also created by gamma collisions. This data set allows to solve the Maxwell equations which manage the electromagnetic field. The TRIPOLI-2 code studies the coupled neutron-gamma transport in 3D- geometries by the Monte Carlo method. The code has been modified to calculate the photon energy deposited in matter and the recoil electron current created by Compton effect. The method is tested wiht a simple case; then neutron and gamma transport is studied in air kerma, deposited photon energy, electron current are calculated as functions of space and time and the contributions of the different neutronic reactions are separately evaluated. The calculations presented here are only part of studies about this subject. Developments will relate ...

1988-09-12

318

Generation of proton-induced nuclear reaction data for C, Fe, Cu and Pb and their benchmark with a deterministic transport code KASKAD-S

This paper presents an analysis of the applicability of alternative systems for electric vehicle (EV) heating and air conditioning (HVAC). The paper consists of two parts. The first part is a cooling and heating load calculation for electric vehicles. The second part is an evaluation of several systems that can provide the desired cooling and heating in EVs. These systems are ranked according to their overall weight The overall weight is calculated by adding the system weight and the weight of the battery necessary to provide energy for system operation. The system with the minimum overall weight is considered to be the best, because minimum vehicle weight decreases the energy required for propulsion, and therefore increases the vehicle range. Three systems are considered as the best choices for EV HVAC. These are, vapor compression, ice storage and adsorption systems. These systems are evaluated, including calculations of ...

1994-09-12

319

Fault detection by Turam TEM survey. Numerical model studies and a case history; TEM ho Turam sokutei haichi ni yoru danso kenshutsu no kokoromi. Model keisan to jisshirei

The new proton-induced nuclear reaction data for C, Fe, Cu and Pb for KASKAD-S have been generated using a newly developed data preparation system. The new system utilizes the NJOY and TRANSX codes to prepare these data with the latest evaluation instead of using the SADCO code with the built-in nuclear data. Auxiliary codes have been developed to help the conversion of TRANSX output into the reaction data for running the KASKAD-S. The basic nuclear data selected for this work are the LA150 and KAERI high energy files whose energy ranges are up to 150 and 250 MeV, respectively. The total neutron yields were calculated using KASKAD-S and the new reaction data up to 250 MeV bombarding energy. The calculations were compared with the measurements or MCNPX calculations when the measured data were absent. The comparison shows that our calculations give an overall good agreement with the measurements and MCNPX ...

2003-10-01

320

Extension of the EQ3/6 computer codes to geochemical modeling of brines

With an objective to detect faults estimated to exist along the Shigesumi valley in the Kamioka mine, discussions were given by using electromagnetic survey, which uses the Turam measurement arrangement based on the TEM method, and three-dimensional model calculations. The Turam measurement arrangement, which installs transmission loop fixedly, is used to identify nature and distribution of electrically conductive objects upon noticing abnormal portions in magnetic fields in the measurement data. In the model calculation, the plate model calculation method and the FDTD method were used, and so was the calculation code TEM3DL. The result revealed that strong topographical influence is seen from steep V-shaped valley existing along the traverse line in the measurement data, but an abnormal resistivity band accompanying remarkable distortion in the curve was detected. According to the result of the model ...

1997-05-27

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

321

Energy band structure of LaCuOCh (Ch = S, Se and Te) calculated by the full-potential linearized augmented plane-wave method

Recent modifications to the EQ3/6 geochemical modeling software package provide for the use of Pitzer's equations to calculate the activity coefficients of aqueous species and the activity of water. These changes extend the range of solute concentrations over which the codes can be used to dependably calculate equilibria in geochemical systems, and permit the inclusion of ion pairs, complexes, and undissociated acids and bases as explicit component species in the Pitzer model. Comparisons of calculations made by the EQ3NR and EQ6 compuer codes with experimental data confirm that the modifications not only allow the codes to accurately evaluate activity coefficients in concentrated solutions, but also permit prediction of solubility limits of evaporite minerals in brines at 25/sup 0/C and elevated temperatures. Calculations for a few salts can be made at temperatures up to approx. 300/sup 0/C, ...

1984-10-23

322

Dose planning and dose delivery in radiation therapy

Energy band diagrams of LaCuOCh (Ch = S, Se and Te) were calculated by a full-potential linearized augmented plane-wave method. The calculations, based on the local density approximation with/without an on-site Coulomb repulsion parameter, were to examine the energy levels of La 4f states. The results of the calculations showed that the on-site correlation parameter is necessary for evaluating the energy levels of La 4f states appropriately. The calculations for LaCuOCh with the on-site correlation parameter revealed that LaCuOS and LaCuOSe have almost the same energy band structure with a direct allowed-type band gap, while LaCuOTe has significantly different conduction band structure that exhibits an indirect-type band gap. This difference in electronic structure between LaCuOCh (Ch = S, Se and Te) is consistent with the observed optical properties of these materials.

2004-07-21

323

Density functional calculations of 15N chemical shifts in solvated dipeptides

A method has been developed for calibration of CT-numbers to volumetric electron density distributions using tissue substitutes of known elemental composition and experimentally determined electron density. This information have been used in a dose calculation method based on photon and electron interaction processes. The method utilizes a convolution integral between the photon fluence matrix and dose distribution kernels. Inhomogeneous media are accounted for using the theorems of Fano and O'Connor for scaling dose distribution kernels in proportion to electron density. For clinical application of a calculated dose plan, a method for prediction of accelerator output have been developed. The methods gives the number of monitor units that has to be given to obtain a certain absorbed dose to a point inside an irregular, inhomogeneous object. The method for verification of dose distributions outlined in this study makes it possible to exclude the ...

2008-08-01

324

Configuration interaction studies of the HeH"+ molecular ion. IV. The triplet sigma, pi, and delta states

We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic chemical shift between the standard ?-sheet and ?-helical conformations ranges ...

2008-06-01

325

Calculating ac/dc resistance ratios for high-pressure oil-filled cable Designs. Volume 1. Designer's guide. Final report

The method of superposition of configurations was applied to the triplet sigma, pi, and delta states of HeH"+ which correlate to the separated atom states of principal quantum number less than or equal to 3. The calculations were done for internuclear separations, 0< or =R< or =65.5 a.u., on a mesh adequate for interpolation. Similar calculations on the singlet states have already been reported. The present calculations complete the accurate evaluation of the potential energy curves for this system which are required for low- and intermediate-energy collision studies. In addition to the energy eigenvalues and eigenfunctions, dipole, gradient, and radial coupling matrix elements were calculated for the sigma and pi states. Primarily, this paper presents information on the eigenvalues. The accuracy of the triplet-state calculations is comparable to that obtained for the singlet ...

8711-01-01

326

Body dose conversion factors for computerized tomography

Using electromatic field theory, a new method is developed for calculating alternating current in power cables installed in pipes of carbon steel (magnetic pipes). The technique for evaluating these losses is based on the method of images which replaces complicated distribution of currents in the system with a sequence of thin conductors. The method not only gives a mathematical framework for the solution of alternating current losses, but it also gives the underlying physical picture of effects contributing to these losses. Skin effect, proximity effect and losses due to the pipe are calculated separately. For the first time, the increase of losses in the conductors, when the cables are placed in a magetic pipe, are analyzed mathematically. Good agreement is obtained between the result of calculations and the experimentally determined ac-dc resistance ratios for pipe-type cables with concentric stranded copper conductors ...

1985-04-01

327

AIDE: internal dosimetry software.

While there have been many experimental and calculational investigations on absorbed dose distribution in the patient resulting from conventional X-ray procedures, such data for computerized tomography (CT) are still sparse. As this diagnostic procedure has shown a rapid increase in application during recent years, we have determined absorbed dose to body organs in a human phantom resulting from CT examinations. The exposure model consists of the heterogeneous MIRD-5 phantom and a suitable Monte-Carlo method to calculate absorbed dose to organs of interest. The exposure conditions are specified according to the exposure specifications of a CT-scanner currently in use. The calculations cover the range of body tissues of interest in terms of organ absorbed doses as well as a risk weighted absorbed dose. A detailed example showing the calculation of red bone marrow dose is given and a somatic effective ...

1980-10-31

328

A procedure for temperature-stress fields calculation of WWER-1000 primary circuit in PTS event

AIDE (Activity and Internal Dose Estimates) is a software for calculating activities in compartments and committed doses due to occupational exposures, and for performing intake and dose estimates using bioassay data. It has been continuously developed and tested for more than 20 years. Its calculation core has been applied in several situations, like performing all dose estimates due to (137)Cs intakes, which occurred during the Goiania accident in 1987; performing quality assurance of the ICRP Task Group on Dose Calculations regarding calculations of activities in compartments and generation of dose coefficients for adults due to intakes by inhalation, ingestion and injection of several radionuclides; and producing the tables of activities in compartments and dose coefficients using the NCRP Wound Model for the NCRP report. It provides several capabilities like performing ...

2008-03-12

329

Optimization of segment weight using simulated dynamics algorithm for beamlet-based IMRT

The paper presents the procedure of an investigation of WWER-1000 primary circuit temperature-stress field by the use of thermohydraulic computation data for a pressurized thermal shock event ''Core overcooling''. The procedure is based on a model of the plane stress state with ideal contact between wall and medium for the calculation. The computation data are calculated on the base of WWER-1000 thermohydraulic model by the RELAP5/MOD3 codes. This model was developed jointly by the Bulgarian and BNL/USA staff to provide an analytical tool for performing safety analysis. As a result of calculations by codes the computation data for temperature field law (linear laws of a few distinguished parts) and pressure of coolant at points on inner surface of WWER-1000 primary circuit equipment are received. Such calculations can be used as a base for determination of all-important load-carrying sections of the ...

1997-05-05

330

Optimal parameters for energy spectral calculations of mega voltage photon beam using Monte Carlo simulations

With accurate calculation algorithms in inverse planning for beamlet-based intensity modulated radiotherapy (IMRT), it takes time to calculate the dose matrix, which represents the dose distribution of each beamlet element to each voxel for unit fluence. To reduce the calculation time, coarse or approximate algorithms are often a choice, but this results in a final dose distribution that cannot reflect the real value. In addition, it is necessary to test if a coarse algorithm is capable of calculating the dose matrix of beamlets. In this work, simulated dynamics optimization algorithm was applied to optimize the segment weight to minish the dose error from the dose matrix calculation. After calculating the dose matrix by ray-tracing algorithm which takes into account just the primary component of absorbed dose, the original beam profile intensity distribution ...

2007-08-01

331

D & D screening risk evaluation guidance

For the Convolution, Superposition and Monte Carlo methods, energy spectrum data is an essential parameter. Especially, by using Monte Carlo method, if the adequate properties of electrons are set, complex energy spectrum data can be calculated by simple input. However, adjustment of the property of electrons incident on the target of linear accelerator is time-consuming procedure. To cover the difference of many accelerators, it is important how we obtain accurate energy spectrum by simple methods. Especially, the total accuracy of dose calculation depends on the agreement of measured and calculated percentage depth dose (PDD) and off-axis ratio (OAR). Thus, a simple method for the determination of the simulation parameters was considered. To reduce the adjustment procedure, we selected values of important three parameters, which were the mean energy of the input electron beam, the energy distribution of the input electron ...

2005-06-01

332

Assessment of the impact of the greenhouse gas emission and sink scenarios in Finland on radiative forcing and greenhouse effect

The Screening Risk Evaluation (SRE) guidance document is a set of guidelines provided for the uniform implementation of SREs performed on decontamination and decommissioning (D&D) facilities. Although this method has been developed for D&D facilities, it can be used for transition (EM-60) facilities as well. The SRE guidance produces screening risk scores reflecting levels of risk through the use of risk ranking indices. Five types of possible risk are calculated from the SRE: current releases, worker exposures, future releases, physical hazards, and criticality. The Current Release Index (CRI) calculates the current risk to human health and the environment, exterior to the building, from ongoing or probable releases within a one-year time period. The Worker Exposure Index (WEI) calculates the current risk to workers, occupants and visitors inside contaminated D&D facilities due to contaminant exposure. The ...

1995-09-01

333

Accurate convolution/superposition for multi-resolution dose calculation using cumulative tabulated kernels

The objective of this work is to study greenhouse gas emissions and sinks and their greenhouse impact as a function of time. The greenhouse impact is expressed in terms of global average radiative forcing, which measures the perturbation in the Earth`s radiation budget. Radiative forcing is calculated on the basis of the concentration changes of the greenhouse gases and the radiation absorption properties of the gases. It takes into account the relatively slow changes in the concentrations due to natural removal and transformation processes and also allows a comparison of the impact of various greenhouse gases and their possible control options as a function of time. In addition to the applications mentioned above, the anthropogenic greenhouse gas emission histories of Nordic countries have been estimated, and the radiative forcing caused by them has been calculated with REFUGE. The dynamic impact of aerosol emissions both from the global point ...

1996-12-31

334

What are $E_{\\infty}$ ring spaces good for?

Convolution/superposition (C/S) is regarded as the standard dose calculation method in most modern radiotherapy treatment planning systems. Different implementations of C/S could result in significantly different dose distributions. This paper addresses two major implementation issues associated with collapsed cone C/S: one is how to utilize the tabulated kernels instead of analytical parametrizations and the other is how to deal with voxel size effects. Three methods that utilize the tabulated kernels are presented in this paper. These methods differ in the effective kernels used: the differential kernel (DK), the cumulative kernel (CK) or the cumulative-cumulative kernel (CCK). They result in slightly different computation times but significantly different voxel size effects. Both simulated and real multi-resolution dose calculations are presented. For simulation tests, we use arbitrary kernels and various voxel sizes with a homogeneous ...

2005-02-21

335

Use of shell model calculations in R-matrix studies of neutron-induced reactions

Infinite loop space theory, both additive and multiplicative, arose largely from two basic motivations. One was to solve calculational questions in geometric topology. The other was to better understand algebraic K-theory. The Adams conjecture is intrinsic to the first motivation, and Quillen's proof of that led directly to his original, calculationally accessible, definition of algebraic K-theory. In turn, the infinite loop understanding of algebraic K-theory feeds back into the calculational questions in geometric topology. For example, use of infinite loop space theory leads to a method for determining the characteristic classes for topological bundles (at odd primes) in terms of the cohomology of finite groups. We explain just a little about how all that works, focusing on the central role played by E infinity ring spaces.

2009-01-01

336

Transuranium isotopes production and their effect on the three-dimensional core calculation

R-matrix analyses of neutron-induced reactions for many of the lightest p-shell nuclei are difficult due to a lack of distinct resonance structure in the reaction cross sections. Initial values for the required R-matrix parameters, E,sub(lambda) and ..gamma..sub(lambdac) for states in the compound system, can be obtained from shell model calculations. In the present work, the results of recent shell model calculations for the lithium isotopes have been used in R-matrix analyses of /sup 6/Li+n and /sup 7/Li+n reactions for E sub(n) < 8 MeV. Consequences of the shell model predictions for the level structure of /sup 7/Li and /sup 8/Li on the /sup 6/Li+n and /sup 7/Li+n reaction mechanisms and cross sections are discussed.

1986-01-01

337

Transuranium isotopes production and their effect on the three-dimensional core calculation

The operation of a nuclear power reactor necessarily implies the consumption or burnup of reactor fuel by fission and capture, which gives rise to a decrease in the reactivity of the reactor. The effect of americium formation on the criticality of a thermal power reactor using two types of fuel is studied. The three-dimensional core calculation is used to calculate the production of the transuranium isotopes and their effect on the effective multiplication factor (K[sub eff]). This effect cannot be neglected for thermal power reactors with UO[sub 2]-PuO[sub 2] fuel (3.11% after 70 weeks of operation). The effect of the transuranium isotopes on the K[sub eff] for a thermal power reactor with UO[sub 2] fuel is about 0.0018% and can be ignored. (author).

1993-02-01

338

Therapeutic Applications of Monte Carlo Calculations in Nuclear Medicine

The operation of a nuclear power reactor necessarily implies the consumption or burnup of reactor fuel by fission and capture, which gives rise to a decrease in the reactivity of the reactor. The effect of americium formation on the criticality of a thermal power reactor using two types of fuel is studied. The three-dimensional core calculation is used to calculate the production of the transuranium isotopes and their effect on the effective multiplication factor (K_e_f_f). This effect cannot be neglected for thermal power reactors with UO_2-PuO_2 fuel (3.11% after 70 weeks of operation). The effect of the transuranium isotopes on the K_e_f_f for a thermal power reactor with UO_2 fuel is about 0.0018% and can be ignored. (author).

339

The level schemes of the near "4"8Ca nuclei in the frame of the pure shell model

This book examines the applications of Monte Carlo (MC) calculations in therapeutic nuclear medicine, from basic principles to computer implementations of software packages and their applications in radiation dosimetry and treatment planning. It is written for nuclear medicine physicists and physicians as well as radiation oncologists, and can serve as a supplementary text for medical imaging, radiation dosimetry and nuclear engineering graduate courses in science, medical and engineering faculties. With chapters is written by recognised authorities in that particular field, the book covers the entire range of MC applications in therapeutic medical and health physics, from its use in imaging prior to therapy to dose distribution modelling targeted radiotherapy. The contributions discuss the fundamental concepts of radiation dosimetry, radiobiological aspects of targeted radionuclide therapy and the various components and steps required for implementing a dose ...

2003-01-01

340

The kernel polynomial method for non-orthogonal electronic structure calculations

The energy level schemes of the near "4"8Ca nuclei were investigated in the frame of the spherical shell model with pure configurations. For every nucleus two configurations were considered: the ground state configuration (GS) - calculated making use of empirical two-body interactions extracted from the level energies of the neighbouring nuclei, and the lowest energy configuration with one nucleon in the excited state (ES) - calculated making use of the two-body Kuo-Brown interactions. The results made it possible to explain the greater part of the so-called intruder levels. Comparison of the calculated and experimental level energy values epsilonsub(J)sup(calc)-epsilonsub(J)sup(exp) reveals systematic deviations of the experimental level energies from the shell model predictions. (orig.).

1986-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

341

TRACE code modeling of the horizontal steam generator of the PACTEL facility and calculation of a loss-of-feedwater experiment

The Kernel Polynomial Method (KPM) has been successfully applied to tight-binding electronic structure calculations as an O(N) method. Here the authors extend this method to nonorthogonal basis sets with a sparse overlap matrix S and a sparse Hamiltonian H. Since the KPM method utilizes matrix vector multiplications it is necessary to apply S{sup {minus}1}H onto a vector. The multiplication of S{sup {minus}1} is performed using a preconditioned conjugate gradient method and does not involve the explicit inversion of S. Hence the method scales the same way as the original KPM method, i.e. O(N), although there is an overhead due to the additional conjugate gradient part. The authors show an application of this method to defects in a titanate/platinum interface and to a large scale electronic structure calculation of amorphous diamond.

1996-11-01

342

British Library Electronic Table of Contents (United Kingdom)

This paper describes the modeling of horizontal steam generator with the TRACE code and calculation results of a loss-of-feedwater (LOF-10) experiment at the PACTEL facility. Parallel Channel Test Loop (PACTEL) is an integral test facility for a VVER-440 type nuclear reactor. The main objectives were to prepare a simulation model for its horizontal steam generator with the TRACE thermal hydraulic code and assess different modeling options of the code. PACTEL experiment LOF-10 was chosen for this assessment. The calculation results showed that TRACE is capable in simulating horizontal steam generator behavior both in steady state and during loss-of-feedwater transient. The phenomenon of heat transfer from primary to secondary side, steam superheating and flow reversal in the lowest heat exc...

2010-01-01

343

Structure of Mgn and Mg n + clusters up to n = 30

British Library Electronic Table of Contents (United Kingdom)

We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954 eV for Mg. We report the geo...

2011-01-01

344

Structural, electronic and optical properties of ZnX and CdX compounds (X = Se, Te and S) under hydrostatic pressure

Shell-model calculations for neutron-rich nuclei in the 0f1p shell

The structural, electronic and optical properties of ZnX and CdX (X = Se, Te and S) are studied using density functional theory by the Wien2k package. The energy band gap, real and imaginary parts of the dielectric function, energy loss function, optical absorption coefficient and reflectivity spectra of these compounds are calculated. The Engel-Vosko approach improves the energy band gaps of ZnX and CdX compounds. The calculated optical parameters are in good agreement with available experimental results, particularly in the Engel-Vosko approach. Furthermore the effect of hydrostatic pressure on the energy band gap, the real and imaginary parts of the dielectric function of these compounds is studied. The first and second order pressure coefficient for the energy band gaps, the static dielectric function and the static reflectivity spectra are calculated.

2010-09-03

345

Shell-model calculations for neutron-rich nuclei in the 0f1p shell

A new two-body interaction recently derived for nuclei in the 0f1p shell by fitting two-body matrix elements to 494 energy levels in A=41-66 nuclei, is used to investigate the neutron-rich nuclei in the vicinity of the doubly closed nuclide {sup 48}Ca. This study is of fundamental interest in providing a test for the new effective interaction away from the stability line. Masses and binding energies are calculated for a variety of neutron-rich nuclei and compared with experimental data, where available. In addition level schemes for {sup 50-52}Ca, {sup 51-52}Sc and {sup 51-52}Ti have been calculated and are compared with available experimental data. In general a good correspondence between theory and experiment is found, but some systematic discrepancies are apparent. ((orig.)).

1995-04-17

346

Semiclassical calculation of photon-stimulated Schwinger pair creation

A new two-body interaction recently derived for nuclei in the 0f1p shell by fitting two-body matrix elements to 494 energy levels in A=41-66 nuclei, is used to investigate the neutron-rich nuclei in the vicinity of the doubly closed nuclide "4"8Ca. This study is of fundamental interest in providing a test for the new effective interaction away from the stability line. Masses and binding energies are calculated for a variety of neutron-rich nuclei and compared with experimental data, where available. In addition level schemes for "5"0"-"5"2Ca, "5"1"-"5"2Sc and "5"1"-"5"2Ti have been calculated and are compared with available experimental data. In general a good correspondence between theory and experiment is found, but some systematic discrepancies are apparent. ((orig.)).

347

Review of calculational models for the performance of CANDU-type nuclear fuel element and parametic study on the fuel performance

We consider the electron-positron pair creation by a photon in an external constant electric field. The presented treatment is based on a purely quasiclassical calculation of the imaginary part of the on-shell photon polarization operator. By using this approach we find the pair production rate for photons with polarization parallel as well as orthogonal to the external electric field in the leading order in the parameter eE/m"2, which has been recently found by other methods. For the orthogonal polarization we also find a new contribution to the rate, which is leading in the ratio of the photon energy to the electron mass #omega#/m. We also reproduce by a purely geometrical calculation the exponential factor in the probability of the stimulated pair creation at arbitrary energy of the photon.

2010-04-15

348

Research on optimizing pass schedule of tandem cold mill

The LWR fuel performance analysis computer code, FRAPCON-1, are evaluated to investigate the performance of CANDU fuel elements loaded in Wolsung-1 reactor. The FRAPCON-1 models of neutron flux depression in fuel and of fuel-to-cladding heat transfer are modified, and the validity of fission gas release model for CANDU fuel is evaluated. And the heavy water properties are provided in calculating the heat transfer coefficient between cladding and coolant. By using the modified code, FRAPCON-1-CSK, the sensitivity studies are carried out for Wolsung-1 fuel element design parameters. The performance analysis is also performed for Wolsung-1 fuel elements. The calculated results are discussed in terms of LWR fuel design criteria because of unavailability of CANDU fuel design criteria. (Author).

1983-01-01

349

Research on optimizing pass schedule of tandem cold mill

In this paper, research on pass schedule of tandem cold mill (TCM) is carried out. According to load (reduction, rolling force, motor power) balance, non-linear equations set with variables of inter-stand thickness is constructed. The pass schedule optimization is carried out by solving the non-linear equations set. As the traditional method, the Newton-Raphson method is used for solving the non-linear equations set. In this paper a new simple method is brought up. On basis of the monotone relations between thickness and load, the inter-stands thickness is adjusted dynamically. The solution of non-linear equations set can be converged by iterative calculation. This method can avoid the derivative calculation used by traditional method. So, this method is simple and calculation speed is high. It is suitable for on-line control. (author)

2000-07-01

350

Radioimmunoassay data processing, ch. 2

In this paper, research on pass schedule of tandem cold mill (TCM) is carried out. According to load (reduction, rolling force, motor power) balance, non-linear equations set with variables of inter-stand thickness is constructed. The pass schedule optimization is carried out by solving the non-linear equations set. As the traditional method, the Newton-Raphson method is used for solving the non-linear equations set. In this paper a new simple method is brought up. On basis of the monotone relations between thickness and load, the inter-stands thickness is adjusted dynamically. The solution of non-linear equations set can be converged by iterative calculation. This method can avoid the derivative calculation used by traditional method. So, this method is simple and calculation speed is high. It is suitable for on-line control. (author)

2000-08-20

351

Pseudospectral method calculation of tidal field and particle random walk simulation of radionuclides in Daya Bay

The problems of radioimmunoassay data processing with a fairly big computer are investigated in detail. The logit transformation, introduced by Rodbard et al. in 1968, and the related mathematical operations are presented. From logit-ln plots the confidence limits for the calculation of the antigen concentration can be predicted as well as the minimum detectable dose (i.e. the sensitivity of the assay). The Scatchard plot is used to calculate the equilibrium constant of the antigen-antibody coupling reaction and the binding capacity. A 4-parameter logistic curve fitting method is developed and combined with a method to carry out a multi-component Scatchard analysis. Both a weighted and an unweighted linear regression procedure are evaluated for use in calculating the plasma renin activity from the angiotensin I amounts determined by radioimmunoassay. Improvements for Rodbard's computer programmes are proposed.

1978-02-15

352

Power spectrum calculation for the Cornell Wiggler A SASE experiment at BNL

Presented here is the calculation results of tidal field of Daya Bay by using pseudospectral method. According to the calculation results about the tidal field and measured value of wind in Daya Bay area, the diffusion of radionuclide from Daya Bay Nuclear Power Plant is simulated by using particle random walk model. The simulation results about the relative concentration distribution of the radionuclides and the trajectory of the distribution centrode are obtained, taking account of tidal current, wind and turbulent current. These results can provide information not only for the reasonable discharge of the radionuclides from Daya Bay Nuclear Power Plant, but also for understanding the potential effect on environment due to the normal operation of Daya Bay Nuclear Power Plant. (authors)

2009-11-01

353

Power spectrum calculation for the Cornell Wiggler A SASE experiment at BNL

Recently the author showed that the widely used simulation code TDA3D, even though a single frequency code, can be used to determine the power spectrum in the SASE process with excellent approximation in the exponential growth regime. In this paper, the author applies this method to the BNL Cornell Wiggler A SASE experiment as an example. When the gain is not very high, there are many modes in the radiation, which seems to make the analytical calculation very difficult. However, he shows that the increment of the radiation due to SASE over the spontaneous radiation can be expanded in terms of guided modes with rapid convergence. Thus when the spontaneous radiation is substracted from the SASE power during the calculation, there is a good agreement between the analytical theory and the numerical simulation.

1998-08-01

354

Point-splitting regularization of composite operators and anomalies

Recently, we showed (Yu, Phys. Rev. E 58 (1998) 4991) that the widely used simulation code TDA3D, even though a single-frequency code, can be used to determine the power spectrum in the SASE process with excellent approximation in the exponential growth regime. In this paper, we apply this method to the BNL Cornell Wiggler A SASE experiment as an example. When the gain is not very high, there are many modes in the radiation, which seems to make the analytical calculation very difficult. However, we show that the increment of the radiation due to SASE over the spontaneous radiation can be expanded in terms of guided modes with rapid convergence. Thus when the spontaneous radiation is subtracted from the SASE power during the calculation, there is a good agreement between the analytical theory and the numerical simulation.

1999-06-01

355

On the applicability of the AAPM TG-60/TG-43 dose calculation formalism to intravascular line sources: Proposal for an adapted formalism

The point-splitting regularization technique for composite operators is discussed in connection with anomaly calculation. We present a pedagogical and self-contained review of the topic with an emphasis on the technical details. We also develop simple algebraic tools to handle the path ordered exponential insertions used within the covariant and non-covariant version of the point-splitting method. The method is then applied to the calculation of the chiral, vector, trace, translation and Lorentz anomalies within diverse versions of the point-splitting regularization and a connection between the results is described. As an alternative to the standard approach we use the idea of deformed point-split transformation and corresponding Ward-Takahashi identities rather than an application of the equation of motion, which seems to save the complexity of the calculations.

2000-01-01

356

Numerical modeling of a MEMS actuator considering several magnetic force calculation methods

Despite the widely recognized usefulness of the AAPM TG-43 brachytherapy dose calculation formalism, a straightforward application of this approach to describe the dose distribution about intravascular line sources as proposed by TG-60 may be difficult or even impossible, especially when these line sources emit low-energy photons or beta particles. The causes of these limitations are investigated and illustrated by means of some numerical examples. In order to solve the observed limitations an adapted formalism is proposed, intended specifically for the description of the dose rate distribution about line sources but conceptually similar to the TG-43/TG-60 formalism. Several examples are presented to illustrate the usefulness of the proposed line source dose calculation formalism.

2001-04-01

357

British Library Electronic Table of Contents (United Kingdom)

Purpose - The purpose of this paper is to investigate the accuracy of different force calculation methods and their impact on mechanical deformations. For this purpose, a micrometer scaled actuator is considered, which consists of a micro-coil and of a permanent magnet (PM) embedded in a deformable elastomeric layer. Design/methodology/approach - For the magnetic field evaluation a hybrid numerical approach (finite element method/boundary element method (FEM/BEM) coupling and a FEM/BEM/Biot-Savart approach) is used, whereas FEM is implemented for the mechanical deformation analysis. Furthermore, for the magneto-mechanical coupling several force calculation methods, namely the Maxwell stress tensor, the virtual work approach and the equivalent magnetic sources methods, are considered and co...

2011-01-01

358

Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations

Monte Carlo treatment planning for photon and electron beams

We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green's function for the electron-hole pair, the Bethe-Salpeter equation (BSE), within the all-electron full-potential linearized augmented plane wave method (FPLAPW). The excited states are calculated for the Li K-edge in the insulating solids LiF, Li_2O and Li_2S, and absorption spectra are compared with independent particle results using the random phase approximation (RPA), as well as supercell calculations using the core-hole approximation within density functional theory (DFT). The binding energies of strongly bound excitations are determined in the materials, and core-exciton wavefunctions are demonstrated for LiF.

2009-03-11

359

British Library Electronic Table of Contents (United Kingdom)

During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose "kernels" partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even furt...

2007-01-01

360

Modeling the Spray Forming of H13 Steel Tooling

British Library Electronic Table of Contents (United Kingdom)

On the basis of a numerical model, the temperature and liquid fraction of spray-formed H13 tool steel are calculated as a function of time. Results show that a preheated substrate at the appropriate temperature can lead to very low porosity by increasing the liquid fraction in the deposited steel. The calculated cooling rate can lead to a microstructure consisting of martensite, lower bainite, retained austenite, and proeutectoid carbides in as-spray-formed material. In the temperature range between the solidus and liquidus temperatures, the calculated temperature of the spray-formed material increases with increasing substrate preheat temperature, resulting in a very low porosity by increasing the liquid fraction of the deposited steel. In the temperature region where austenite decomposit...

2007-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

361

Modeling of snow melting and uniform wetting front migration in a layered subfreezing snowpack

Iterated splitting and the Tunnel Classification Conjecture

A method of modeling freeze-thaw cycles of naturally deposited snowpacks is presented. The model involves the Stefan condition as an independent governing equation on the exterior moving boundary to calculate snowpack thinning, flow of water through a variably saturated layered porous medium as described by the Richards equation, and heat conduction with a phase change. The heat conduction problem was treated in two ways. Local heat conduction between a snow grain and its surrounding water film was treated by using a simple energy balance. Global heat conduction with a phase change (the Stefan problem) was introduced to calculate the space-time temperature distribution. In order to handle multiple interior moving boundaries, a specific form of the enthalpy formulation was used for heat conduction with a phase change. Changing material properties were considered according to the calculated meltwater refreezing. 48 refs., 11 ...

1994-08-01

362

Investigation of A_1_g phonons in YBa_2Cu_3O_7 by means of linearized-augmented-plane-wave atomic-force calculations

For a genus-1 1-bridge knot in the 3-sphere, that is, a (1,1)-knot, a middle tunnel is a tunnel that is not an upper or lower tunnel for some (1,1)-position. Most torus knots have a middle tunnel, and non-torus-knot examples were obtained by Goda, Hayashi, and Ishihara. In a previous paper, we generalized their construction and calculated the slope invariants for the resulting examples. We give an interated version of the construction that produces many more examples, and calculate their slope invariants. If one starts with the trivial knot, the iterated construction produces the 2-bridge knots, giving a new calculation of the slope invariants of their tunnels. Together with other information, the examples suggest a general classification conjecture for all tunnels of all tunnel number 1 knots.

2011-01-01

363

Importance of level structure in nuclear reaction cross-section calculations. Revision 1

We report first-principles frozen-phonon calculations for the determination of the force-free geometry and the dynamical matrix of the five Raman-active A_1_g modes in YBa_2Cu_3O_7. To establish the shape of the phonon potentials atomic forces are calculated within the linearized-augmented-plane-wave method. Two different schemes emdash the local-density approximation (LDA) and a generalized gradient approximation (GGA)emdash are employed for the treatment of electronic exchange and correlation effects. We find that in the case of LDA the resulting phonon frequencies show a deviation from experimental values of approximately -10%. Invoking GGA the frequency values are significantly improved and also the eigenvectors are in very good agreement with experimental findings. copyright 1997 The American Physical Society.

364

Experimental and theoretical investigation of amino acids dimers and associates adsorption on carbon surface

It is shown that level-density expressions cannot adequately represent or substitute for level structure information when making calculations of the Hauser-Feshbach type for cross sections or isomer-ratios for nuclei in the first few MeV above their ground state. It is stated that such discrete level information should include both experimentally confirmed and theoretically predicted levels. The utility of discrete level information to optimize level density calculations, to compute isomer ratios, in deriving dipole strength functions, and in the analysis of primary gamma ray spectra is emphasized, especially for nuclei far from the line of stability. 29 refs., 12 figs., 6 tabs. (DWL)

1985-11-07

365

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption (the Henry constant, the heat and entropy of adsorption) of amino acids associates with acetic, trifluoroacetic, nonafluoropentanoic acids and formamide with different values of hydrogen bond lengths and various conformations on a graphitized thermal carbon black (GTCB) were calculated. The experimental results, as the Henry constant, lnK1, and the differences in the molar Gibbs energies, d(DG), obtained by a high performance liquid chromatography (HPLC) on a carbon sorbent Hypercarb, were compared with the values of thermodynamic characteristics of adsorption of the amino acids on the GTCB surface calculated by a molecular-statistical method. A satisfactory correlation was observed between the experimental and calculated values with a coeffi...

2011-01-01

366

Excited states in electronic structure calculations

Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)

A first-principles quasiparticle approach to the electronic excitation energies in crystals and at surfaces is described. The quasiparticle energies are calculated within the GW approximation for comparison with photoemission and other spectroscopic experiments. Applications of the method to bulk semiconductors and the Si(111)2[times]l, Ge(111)2[times]l. and H/Si(III) surfaces are presented. In both cases, significant self-energy corrections arising from many-electron effects to the excitation energies are found. Using atomic positions from total energy minimization, the calculated excitation energies explain quantitatively the experimental spectra. This approach thus provides an ab initio means for analyzing and predicting results from spectroscopic probes.

1992-07-01

367

Electronic structure, charge distribution and X-ray emission spectra of V_3Si

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

368

Electronic structure of Ba(Sn,Sb)O_3: Absence of superconductivity

Cluster calculations of the electronic structure and charge distribution in V_3Si have been performed using two different molecular orbital methods: a semiempirical LCAO and the MS X#alpha# model. The results are compared with X-ray emission spectra and band structure calculations. An analysis of the calculated electronic distribution reveals a charge transfer from Si-atoms to V-atoms, the additional charge on a V-atom being 0.6e (LCAO) and 0.4e (MS X#alpha# method). The results are in good agreement with experiment, which indicates that the cluster approach is adequate for the description of charge distributions and spectra characteristics of the A-15 compounds. (author).

369

Electronic structure and superconductivity of europium

The electronic structures of BaSnO_3, BaSbO_3, and BaPbO_3, calculated using an extended general-potential linearized augmented-plane-wave method, are reported. The electronic structures of BaSnO_3 and its 6s analog BaPbO_3 are found to be very different, explaining the absence of superconductivity in the Ba(Sn,Sb)O_3 system. These differences are explained by a combination of the relativistic lowering of the 6s states and ion-size effects. Muffin-tin-approximation augmented-plane-wave calculations for BaSnO_3 are also reported and the utility of the muffin-tin approximation for this and similar materials is discussed in terms of the differences between the two sets of calculations.

370

Electronic energy bands and optical properties of LaH"2 and NdH"2

We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.

2010-09-01

371

Electron-phonon spectral function and mass enhancement of niobium

Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).

372

Effect of indirect dependencies on "A mutual information minimization approach for a class of nonlinear recurrent separating systems"

The electron-phonon spectral distribution function #alpha#"2(#omega#) F (#omega#) has been calculated for niobium. The electron energy bands and wave functions were obtained from a self-consistent augmented-plane-wave muffin-tin potential, and the electron-phonon matrix elements were evaluated using the so-called rigid-ion approximation. With this approximation it is found that #alpha#"2(#omega#) is constant over the whole energy spectrum. The electron-phonon mass enhancement has also been calculated for local regions of the Fermi surface and found to be anisotropic. The calculated local values of the enhancement do not agree with experimental values available for different orbits from de Haas--van Alphen measurements. The discrepancy seems to arise because the bare-rigid-ion matrix elements are relatively small between states with nearly pure l = 2 character.

373

Dose distribution in water for monoenergetic photon point sources in the energy range of interest in brachytherapy: Monte Carlo simulations with PENELOPE and GEANT4

In a recent paper [4], Duarte and Jutten investigated the Blind Source Separation (BSS) problem, for the nonlinear mixing model that they introduced in that paper. They proposed to solve this problem by using information-theoretic tools, more precisely by minimizing the mutual information (MI) of the outputs of the separating structure. When applying the MI approach to BSS problems, one usually determines the analytical expressions of the derivatives of the MI with respect to the parameters of the considered separating model. In the literature, these calculations were mainly reported for linear mixtures up to now. They are more complex for nonlinear mixtures, due to dependencies between the considered quantities. Moreover, the notations commonly employed by the BSS community in such calculations may become misleading when using them for nonlinear mixtures, due to the above-mentioned dependencies. We claim that the ...

2009-01-01

374

Development of ozone generator by modification of the field distribution

Monte Carlo calculations using the codes PENELOPE and GEANT4 have been performed to characterize the dosimetric properties of monoenergetic photon point sources in water. The dose rate in water has been calculated for energies of interest in brachytherapy, ranging between 10 keV and 2 MeV. A comparison of the results obtained using the two codes with the available data calculated with other Monte Carlo codes is carried out. A chi2-like statistical test is proposed for these comparisons. PENELOPE and GEANT4 show a reasonable agreement for all energies analyzed and distances to the source larger than 1 cm. Significant differences are found at distances from the source up to 1 cm. A similar situation occurs between PENELOPE and EGS4.

2006-01-01

375

Determining the porosity of rock in oil wells using compensated neutron logging

New methods have been established to enhance the ozone production of the surface discharge arrangement. One method sets the discharge electrode a short distance away from the surface of the dielectric material, whilst another uses a special power supply system resulting in a superimposed discharge. According to the experiments, significant differences have been found in the ozone production capacity of the different arrangements. The characteristics of the electric field distribution of the designs have been calculated using the finite element method for the potential; and the Donor-Cell method for the space charge calculation, and the results have been analysed. A method of analysis has been established for the calculated field characteristics, which provides two index numbers. The reasons are highlighted for the differences in ozone production in relation to the index numbers obtained from the fields' distributions of the ...

2008-12-01

376

Designed defects in 2D antidot lattices for quantum information processing

The two-sonde neutron-logging device RKS-2 registers the ratios of the indications of two sondes and is scaled in units representing the total water content of pure limestone when saturated with fresh water. When analyzing the results of the measurements in real wells, it is necessary to calculate the effect of well- and strata conditions on the results of porosity determination. The results of simulated measurements are presented, on the basis of which correction factors are immediately determined for the calculation of the effect of the diameter of the well, and the effect of the mud cake on the well wall. A nomogram is constructed and substantiated; its purpose is the calculation of the effect of the following on the RKS-2 indication: the diameter of the well, the mud cake on the well wall, the density of the drilling solution, temperature, pressure in the well, and the lithology of the rock.

1982-01-01

377

DEFF Research Database (Denmark)

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas (2DEG) at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

2008-01-01

378

Description of T/sub greater-than/ giant resonances in spherical nuclei

Density functional theory studies of energetic nitrogen-rich derivatives of substituted carbon-bridged diiminotetrazoles

Formulas are obtained for calculation of the energies and B(Elambda) values of T/sub greater-than/ giant resonances in the quasiparticle-phonon model of the nucleus. Characteristics of giant dipole resonances are calculated in several spherical nuclei and the correct location is obtained for T/sub less-than/ and T/sub greater-than/ collective 1/sup -/ states. The calculated ratios sigma/sub -/1(T/sub greater-than/)/sigma/sub -/1(T/sub less-than/) agree with the experimental data for /sup 88/Sr, /sup 90/Zr, and /sup 92/Mo and are 3 times larger than the experimental values for /sup 116,120,124/Sn. The decrease of the cross sections sigma/sub -/1(T/sub greater-than/) in /sup 124/Sn in comparison with /sup 116/Sn is correctly reproduced.

1982-03-01

379

British Library Electronic Table of Contents (United Kingdom)

Density functional theory calculations were performed to study the effects of different substituents and bridge groups on the heats of formation (HOFs), thermal stability, and detonation properties for a series of diiminotetrazole derivatives. The isodesmic reaction method was employed to calculate the HOFs of the derivatives using total energies obtained from electronic structure calculations. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the diiminotetrazole derivatives. The detonation velocities and pressures were evaluated by using the semiempirical Kamlet-Jacobs equations, based on the theoretical densities and HOFs. These results provide basic information for the molecular design of novel high-energy density...

2011-01-01

380

Crystal Field Studies on MgGa2O4:Ni2+

Control area performance improvement by extended security constrained economic dispatch

The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.

2010-08-04

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

381

Contribution of several mechanisms to the alpha particle elastic scattering in the angle range near 180 deg

An algorithm for solving the extended security constrained economic dispatch (ESCED) problem with real-time economic dispatch grade speed and reliability is presented. The ESCED problem is formulated by adding regulating margin and ramp rate constraints to the network security constrained economic dispatch problem previously solved by the CEDC algorithm. Starting with Newton`s method to optimize the Lagrangian, the ESCED is developed by superimposing on Newton`s method eight major components called Tracking Start Initialization, Hessian Pre-Elimination, Implicit Dual Variable Calculations, Regulating Margin Sensitivity Coefficient Calculations, Traumatic Event Evaluation, Constraint Relaxation, Implicit Ramp Rate Constraint Implementation, and Relaxed Incremental Cost Calculations. Test results are also presented.

1997-02-01

382

Constraining chameleon field theories using the GammeV afterglow experiments

The contribution of exchange processes (heavy stripping and substitution) into the amplitude of the 25-30 MeV #alpha#-particle elastic scattering by "1"2C and "4"0Ca nuclei is examined taking into account the distortion of plane waves of initial and finite particles. The eikonal approximation is used for accounting for distortions. The matrix elements of exchange processes are calculated. The results of calculations show that the Wronskian cutoff radii are close to those which have been obtained for calculation of exchange processes in the plane-wave approximation. The moduli of the values defining the contribution of exchange processes to the total S matrix are plotted. Also presented are Argand diagrams and angular distributions for both reactions. It has been established that the account for exchange processes improves the agreement of theoretical curves with the experiment in the whole range of angles, as compared with ...

383

Comparison of LAHET code system calculations with experimental results for protons of energies less than 50 MeV incident on copper and iron

The GammeV experiment has constrained the couplings of chameleon scalar fields to matter and photons. Here we present a detailed calculation of the chameleon afterglow rate underlying these constraints. The dependence of GammeV constraints on various assumptions in the calculation is studied. We discuss GammeV-CHASE, a second-generation GammeV experiment, which will improve upon GammeV in several major ways. Using our calculation of the chameleon afterglow rate, we forecast model-independent constraints achievable by GammeV-CHASE. We then apply these constraints to a variety of chameleon models, including quartic chameleons and chameleon dark energy models. The new experiment will be able to probe a large region of parameter space that is beyond the reach of current tests, such as fifth force searches, constraints on the dimming of distant astrophysical objects, and bounds on the variation of the fine structure constant.

2009-11-01

384

Comparison between different procedures of reliability analysis for emergency and stand-by power systems

The LAHET code system calculations and experimental results for proton interactions with an energy <50 MeV are compared. For these energies, the theories behind the LAHET models are not applicable. Three quantities compared are (a) the magnitude of the neutron yield generated through proton interactions, (b) the energy and angular distributions of the resultant neutrons, and (c) the residual nuclei produced by proton interactions (spallation products). The comparisons are for protons incident on iron and copper, except in the case of the energy and angular distributions, which are calculated only for iron. The neutron yields predicted by LAHET agree with published measurements to within 50% for both materials. For iron, the predicted energy and angular distributions agree to within a factor of 3. Finally, the predicted spallation product yields of both materials agree with measurements to within a factor of 4.

1997-03-01

385

Cobalt release from PCA steel during possible fusion reactor accidents

A general purpose Emergency Generator Set (EGS) is considered for a methodological study and related reliability behavior is analyzed. In particular in a procedure of reliability and availability analysis of a EGS, dependent failure events need a complex mathematical model as state-space model to be a accurately evaluated. Furthermore these dependent failure events are one of the most important reliability characteristic of EGS. This paper suggests a procedure for reliability calculations in presence of dependent failure based on the evaluation of a equivalent failure rate that can be fitted to a network reduction method by simple mathematical calculations. The simplified models analyzed show a good accuracy for a wide range of variation of main reliability characteristics of EGS and utility. The advantages obtained are very useful on reliability evaluation because the possibility of use of network approach provides a shorter route to ...

1995-12-31

386

Calculation of the view factors for radiant heat exchange in a new volumetric receiver with tapered ducts

Possible accident scenarios for a fusion reactor include breaches in the vacuum or cooling system. Intruding air or steam could react with structural or plasma facing materials, possibly mobilizing radioactive isotopes. Safety assessments must consider the early dose at the site boundary from the release of these activated materials. Previous calculations have indicated that cobalt isotopes dominate dose calculations for designs using stainless steel. Values used in these calculations, however, had been largely determined by the measurement limits of the chemical analysis methodology instead of measured releases. The purpose of the current study was to refine the analytical method to reduce the limit for detecting cobalt, and then test PCA steel in air and steam between 973 and 1473 K. Goals were to obtain more accurate measurements of cobalt mobilization in terms of g/m{sup 2}{center_dot}h and insight into the mobilization ...

1995-01-01

387

Calculation of the vibrational properties of LiMgAs

The need to increase efficiency of volumetric receivers for use in solar power plants by reducing reradiation losses and increasing the ``volumetric effect`` has promoted the idea of a receiver with tapered ducts. These seems to be very promising since higher efficiency and considerable saving of material can be achieved, as compared to conventional receivers perforated with ducts of constant cross-section. A finite element program is being developed to calculate stationary heat transfer in the tapered ducts by free and forced convection in the gas flow, conduction in walls and in the gas, and solar and thermal radiation. Gas and wall temperatures are considered to be varying only in the flow direction. In order to perform the highly nonlinear calculations of radiative exchange, the exact knowledge of the view factors is necessary. The aim of the present work is to evaluate analytically the view factors in tapered ducts.

1995-02-01

388

Calculation of the radionuclide concentration in gaseous effluents from the Daya Bay Nuclear Power Plant

We have studied the vibrational properties of the filled tetrahedral semiconductor LiMgAs and its binary analog AlAs by using the plane-wave pseudopotential method within density functional theory. The calculated lattice constants for the studied compounds are in good agreement with previous theoretical and experimental results. The phonon dispersion curves and phonon density of states are calculated by using density functional perturbation theory. The sound speeds in different directions are quantitatively similar in LiMgAs and AlAs. The assignment of the zone center modes to the relative motion of the atoms shows that the lower optic modes are due to the Mg-As pair vibrations, while for the upper ones the Li-Mg pair dominates, which is attributed to the smaller Mg atom mass. The longitudinal interatomic force constant of Mg-As is about 66% higher than that of Li-As, showing the relatively high covalency of the former bond.

2009-07-29

389

Calculation of the hyperfine constants of the V sub (K) center in CaF_2, SrF_2 e BaF_2

Presented here is the calculation of radionuclide concentration in gaseous effluents from the Daya Bay Nuclear Power Plant by using the Gaussian model, based on the analysis of the radionuclides in gaseous effluents and based on the measured wind field in the area of Guangdong province in November 2005. The calculating results about the relative concentration distribution of the radionuclides in Guangdong province, especially in Daya Bay, Shengzheng, Zhuhai and Guangzhou, are obtained. These results can provide reference data for the effect of radiation on the environment of Guangdong province under normal conditions of operation of the Daya Bay Nuclear Power Plant. It can also provide reference data for monitoring possible nuclear incidents in nuclear power plants. (authors)

2007-07-01

390

Calculation of the concentration of radioactive airborne effluents under normal operation from Daya Bay Nuclear Power Plant

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 molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).

2004-06-02

391

Calculation of Residual Dose Rates and Intervention Scenarios for the LHC Beam Cleaning Insertions-Constraints and Optimization

Presented here is the calculation of the diffusion of radionuclides from the Daya Bay Nuclear Power Plant under normal operation on the basis of Gaussian model. The model is modified partially considering practical situation, and monitoring meteorological data are adopted. By using the AIRDOS-EPA computer code, the average annual ground-level concentration distribution of radionuclides from Daya Bay Nuclear Power Plant in 2001 was obtained, the atmospheric dispersion factor and ground deposition rate were also acquired. These calculated results can provide information for understanding the effect on radiation environment due to Daya Bay Nuclear Power Plant under normal operation. (authors)

2007-11-01

392

Calculation model testing for the case of rcs hot collector rupture inside the horizontal steam generator of VVER-440 NPP

Radiation protection of the personnel who will perform interventions in the LHC Beam Cleaning Insertions is mandatory and includes the design of equipment and the establishment of work procedures. Residual dose rates due to activated equipment are expected to reach significant values such that any maintenance has to be planned and optimized in advance. Three-dimensional maps of dose equivalent rates at different cooling times after operation of the LHC have been calculated with FLUKA. The simulations are based on an explicit calculation of induced radioactivity and of the transport of the radiation from the radioactive decay. The paper summarizes the results for the Beam Cleaning Insertions and discusses the estimation of individual and collective doses received by personnel during critical interventions, such as the exchange of a collimator or the installation of Phase 2. The given examples outline the potential and the need to optimize, in an ...

2005-01-01

393

Calculation model testing for the case of rcs hot collector rupture inside the horizontal steam generator of VVER-440 NPP

The calculations presented are based on RELAP5/MOD2-3 input for VVER 440/213 Bohunice NPP, developed within the framework of IAEA TC Project by an international team of specialists from CSFR, Hungary, Bulgaria and Poland. Project activities were condentrated on input data refinement and testing. Several cases were calculated using the latest version of RELAP5/MOD2 provided by RMA, Albuquerque to investigate some modelling assumptions, such as break location, geometrical representation of secondary circuit piping as well as the effect of deactivation of the signal controlling the SG isolation valves. (2 refs., 21 figs., 2 tabs.).

1993-12-31

394

Bound state QED effects from the Schroedinger equation

The calculations presented are based on RELAP5/MOD2-3 input for VVER 440/213 Bohunice NPP, developed within the framework of IAEA TC Project by an international team of specialists from CSFR, Hungary, Bulgaria and Poland. Project activities were condentrated on input data refinement and testing. Several cases were calculated using the latest version of RELAP5/MOD2 provided by RMA, Albuquerque to investigate some modelling assumptions, such as break location, geometrical representation of secondary circuit piping as well as the effect of deactivation of the signal controlling the SG isolation valves. (2 refs., 21 figs., 2 tabs.).

1992-09-29

395

AutoCAD as a graphic interface for tsbi3. Working report; AutoCAD som grafisk graenseflade til tsbi3; Arbejdsrapport

We present a new relativistic bound-state formalism for two interacting Fermi-Dirac particles. The kernel of the integral equation for the bound-state system is generated by summing Feynman scattering amplitudes and multiplying by a bound-state amplitude. The method is illustrated through calculations of the hyperfine and fine splittings of positronium up to order #alpha#"5. Our calculations of the one-loop contributions are carried out in the explicitly covariant Feynman gauge. We also present new results for the hyperfine and fine splittings in positronium to order #alpha#"5 for arbitrary principal quantum number n, which are easily obtained owing to the virtue of conceptual and calculational simplicity of our formalism. In addition, we present the one-loop renormalization scheme in our formalism. (author).

396

Assessment of MCNP-4B code using measurement data of Wolsung nuclear power plant 2

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-Models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to individual computer programmes and prototypes, and examples and diagrams are presented. The programmes described deal with handling design elements in relation to AutoCAD designs, and the formatting of a ...

1993-03-01

397

Application of GO methodology in reliability analysis of offsite power supply of Daya Bay NPP

The benchmark calculations have been performed for MCNP-4B code using the measurement data of Wolsong nuclear power plant 2. In this study, the benchmark calculations have been performed for the criticality, boron worth, reactivity device worth, reactivity coefficient, and flux scan. Cross-section libraries were newly generated from ENDF/B-VI release 3 through NJOY97.114 data processing system and a three-dimensional full core model was developed for MCNP calculation. The simulation results have shown that the criticality is estimated within 4 mkn and the estimated reactivity worth of the control devices are generally consistent with the measurement data. In certain cases, the simulation results have shown large discrepancies against the measurement data, which will be sturdied further in the near future.

2001-05-01

398

Analysis of thermoluminescence glow curves of minerals sphene and epidote for radiation damage studies

The author applies the GO methodology to reliability analysis of the offsite power supply system of Daya Bay NPP. The direct quantitative calculation formulas of the stable reliability target of the system with shared signals and the dynamic calculation formulas of the state probability for the unit with two states are derived. The method to solve the fault event sets of the system is also presented and all the fault event sets of the outer power supply system and their failure probability are obtained. The resumption reliability of the offsite power supply system after the stability failure of the power net is also calculated. The result shows that the GO methodology is very simple and useful in the stable and dynamic reliability analysis of the repairable system

2003-02-01

399

Analysis of the omnium-g receiver

Thermoluminescence (TL) properties of sphene and epidote are of interest in studies related to their radiation damage. Natural and artificially induced TL of these minerals has, therefore, been investigated. Both minerals exhibit complex glow curves with several overlapping peaks. The Tsub(m) -Tsub(STOP) thermal cleaning procedure has revealed three peaks in the ..gamma.. ray induced glow curve of each mineral. That these peaks obey second order kinetics was indicated by the continuously slanting structure of the Tsub(m)-Tsub(STOP) curve. The TL parameters E and s have been calculated using (i) the initial rise method, and (ii) the glow-peak shape method. In general, the values of E calculated by the first method are found to be higher than those from the second. The TL curve-fitting method is also applied in order to calculate these parameters and to serve as a cross-check on the results.

1986-01-01

400

Analysis of steam generator loss-of-feedwater experiments with APROS and RELAP5/MOD3.1 computer codes

A thermal analysis of the Omnium-G receiver is presented and the technique is shown to be generally applicable to solar thermal receivers utilizing a directly heated thermal mass. The thermal loss coefficient, including reradiation losses, is calculated and shown to agree quite well with the experimentally measured thermal loss coefficient. The rate of heat transfer to the working fluid is also analyzed and the analysis is used to show that the Omnium-G receiver is well matched to the water/steam working fluid because the steam outlet temperature is almost the same as the receiver temperature. A general procedure for calculating receiver performance is presented. With this procedure, the energy delivery to any working fluid, the delivered temperature of the working fluid, and the pressure drop through the receiver can be determined. An example of the calculation is also presented.

1980-03-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

401

Analysis of steam generator loss-of-feedwater experiments with APROS and RELAP5/MOD3.1 computer codes

Three experiments were conducted to study the behaviour of the new horizontal steam generator construction of the PACTEL test facility. In the experiments the secondary side coolant level was reduced stepwise. The experiments were calculated with two computer codes RELAP5/MOD3.1 and APROS version 2.11. A similar nodalization scheme was used for both codes so that the results may be compared. Only the steam generator was modeled and the rest of the facility was given as a boundary condition. The results show that both codes calculate well the behaviour of the primary side of the steam generator. On the secondary side both codes calculate lower steam temperatures in the upper part of the heat exchange tube bundle than was measured in the experiments. (orig.) 4 refs.

1997-12-01

402

Analysis of photon beam exit dose using photon point kernels

Three experiments were conducted to study the behaviour of the new horizontal steam generator construction of the PACTEL test facility. In the experiments the secondary side coolant level was reduced stepwise. The experiments were calculated with two computer codes RELAP5/MOD3.1 and APROS version 2.11. A similar nodalization scheme was used for both codes so that the results may be compared. Only the steam generator was modeled and the rest of the facility was given as a boundary condition. The results show that both codes calculate well the behaviour of the primary side of the steam generator. On the secondary side both codes calculate lower steam temperatures in the upper part of the heat exchange tube bundle than was measured in the experiments. (orig.).

1995-09-10

403

Analyses of eigenvalue bias and control rod worths in FFTF [Fast Flux Test Facility

The Monte Carlo method is used to analyse the dose fall-off at the exit surface of a megavoltage photon beam. The convolution/superposition method of dose calculation using Monte-Carlo-generated homogeneous photon kernels is shown to be in error for exit dose calculation. Instead, photon kernels that incorporate modelling of the exit surface were generated, also using Monte Carlo, to analyse the problem, and the calculated dose fall-off using these kernels agrees well with measured data. In addition, the physics underlying the characteristics of the dose fall-off is analysed based on complete Monte Carlo modelling. Practical improvements to the convolution/superposition method are suggested. (Author).

404

Analyses of eigenvalue bias and control rod worths in FFTF (Fast Flux Test Facility)

The Fast Flux Test Facility (FFTF) core loading during its ninth operating cycle was significantly different from that of previous cycles because of the presence of the Core Demonstration Experiment (CDE). The CDE consists of a number of axially blanketed fuel assemblies and internal blankets prototypic of advanced oxide cores in Liquid Metal Reactors (LMR). In preparation for the Cycle 9 reload design effort, a careful assessment of control rod worth and reactivity calculations for Cycles 1 through 8 was made. The goal of this study was to establish calculational biases and reduce uncertainties factored into the reload design calculations. These analyses helped assure that the operational objectives for Cycle 9 were met.

1987-09-13

405

An analysis and evaluation of differential pressure calculation of motor operated valve using system flow model

The Fast Flux Test Facility (FFTF) core loading during its ninth operating cycle was significantly different from that of previous cycles because of the presence of the Core Demonstration Experiment (CDE). The CDE consists of a number of axially blanketed fuel assemblies and internal blankets prototypic of advanced oxide cores in Liquid Metal Reactors (LMR). In preparation for the Cycle 9 reload design effort, a careful assessment of control rod worth and reactivity calculations for Cycles 1 through 8 was made. The goal of this study was to establish calculational biases and reduce uncertainties factored into the reload design calculations. These analyses helped assure that the operational objectives for Cycle 9 were met.

1987-01-01

406

Adiabatic flame temperature of hydrogen in combination with gaseous fuels

As part of the EPRI Motor-Operated Valve (MOV) Performance Prediction Methodology, a System Flow Model (SFM) has been developed to determine the differential pressure (DP) across MOVs as they are stroked in typical power plant systems. Input to the SFM includes valve flow characteristics (such as flow coefficient) and system characteristics (such as pump head/flow curve). The primary output is differential pressure across the valve at each stroke position. The SFM was validated by comparison with test data from the EPRI Flow Loop Test Program. In this study, we calculated DP using SFM and performed DP test for four MOVs. Compared between calculated DP and test DP of four MOV, respectively good agreements are found. (author). 6 refs., 9 figs., 1 tab.

1999-11-01

407

A symbolic computing environment for doing calculations in quantum field theory

The equilibrium composition and temperature resulting from the combustion of hydrocarbon fuels in combination with hydrogen have been analytically evaluated. Rich, lean and stoichiometric mixtures have been considered for this purpose. The flame temperature data obtained from computer calculations has been fitted with an equation expressed in terms of calorific value, C/H ratio, air-fuel ratio and heat of dissociation of the fuel mixture. This equation can be used to calculate the flame temperature directly without resorting to the elaborate calculation of species concentration. The results obtained using the equation have been found to have an accuracy of 0.05 to 2.5% for different fuel combinations. (author).

1989-01-01

408

A study of the isomeric ratio for the (n,2n) and (#betta#,n) reactions in Mo92, Zr90, Sr86 and Se74

A computational environment, as a set of MapleV R.3 routines for doing symbolic calculations in Quantum Field Theory, is presented. The Q F T package`s routines extend the standard MapleV computational domain by introducing representations for anti commutative and noncommutative objects, tensors, spinors and gauge fields, as well as related objects and procedures (Dirac matrices, differential operators, functional differentiation w.r.t indexed fields, sum rule for repeated indices, etc.). Furthermore, the Q F T routines permit the user-definition of algebra rules for the commutation/ anti commutation of operators, to be taken into account during the calculations. (author) 2 refs.

1997-12-31

409

A risk calculator for glyphosate resistance in Lolium rigidum (Gaud.)

Measurements are made of the isomeric ratio for the (n,2n) and (#betta#,n) reactions on the neutron-deficient nuclei _9_2Mo, _9_0Zr, _8_6Sr and _7_4Se. A method is developed for calculating the isomeric ratio for a low excitation energy of the residual nucleus. The good agreement found between experimental results and calculations for the (#betta#,n) reaction confirms the choices of residual nucleus characteristics, transmission coefficients of neutrons emitted etc. used in the calculations. The results of a study of the (n,2n) reaction were used to find the spin dependences of nuclear level density in the excitation energy region approx. 14 MeV. (author).

1998-10-01

410

British Library Electronic Table of Contents (United Kingdom)

BACKGROUND: Glyphosate resistance has been confirmed in 58 populations of Lolium rigidum (Gaud.), a major weed of crops in southern Australia. Extensive use of glyphosate in conjunction with minimal soil disturbance has been identified as high risk for resistance to that herbicide. Land managers need a simple method for rapid assessment of the risk of resistance occurring as a result of past and proposed future management practices. Modelled on risk assessment nomographs, a simple calculator for indicating the risk of evolved glyphosate resistance in L. rigidum is described.RESULTS: The calculator uses the generations since first use and the frequency of use of glyphosate in combination with historical cultivation levels as critical factors for determining the risk of glyphosate resistance...

2008-01-01

411

A fast multipole transformation for global climate calculations

A fast model for estimating work-function modifications induced by organic charge-transfer (Sub)monolayers

A fast multipole transformation is adapted to the evaluation of summations that occur in global climate calculations when transforming between spatial and spherical harmonic representations. For each summation, the timing of the fast multipole transformation scales linearly with the number of latitude gridpoints, but the timing for direct evaluations scales quadratically. In spite of a larger computational overhead, this scaling advantage renders the fast multipole method faster than direct evaluation for transformations involving greater than approximately 300 to 500 gridpoints. Convergence of the fast multipole transformation is accurate to machine precision. As the resolution in global climate calculations continues to increase, an increasingly large fraction of the computational work involves the transformation between spatial and spherical harmonic representations. The fast multipole transformation offers a significant reduction in ...

1996-01-01

412

3D transient calculations of PGV-1000 based on TRAC

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent agreement with ...

2010-07-01

413

(#alpha#, t) reactions on "4"5Sc, "5"1V and "5"9Co nuclei at 27.2 MeV #alpha#-particle energy

Full text of publication follows: During calculations of SAR accidents and transients it is necessary to perform steam generator simulation. Best accuracy is 3D transient calculations presented in report. Main outcomes of work was next: 1. There was shown by analysis the applicability of code TRAC (Los-Alamos laboratory) for thermal - hydraulic calculations of horizontal steam generator PGV-1000M. Special nodalization scheme was developed for it purposes. 2. Validation and selection of thermal-hydraulic correlations for improvement of using the code at calculation PGV-1000M were performed. As result Labuntsov formula is recommended for horizontal SG. 3. Calculations of nominal mode operation of PGV-1000M for cross-verification with code STEG (Electrogorsk Research and Engineering Center EREC) during its verification were performed. Solution by TRAC was obtained for transient problem ...

2005-07-01

414

Vector Boson Scattering in the Standard Model an Overview of Formulae

Differential cross sections of the (#alpha#, t) reactions on "4"5Sc, "5"1V, and "5"9Co nuclei are measured in the 10-71 deg, 10-155 deg, and 10-171 deg angular ranges, respectively, with 27.2 MeV alpha particles. The cross sections have also been calculated on the basis of the distorted wave theory. The possibility of an unambiguous choice of the optical potential for alpha particles is discussed. The angular distribution calculations using several combinations of the optical potentials in the inlet and outlet channels of the reactions show that consistence between the calculations and the measurements is achieved (especially in angular range, less than 90 deg, if one of the potentials is chosen to be a sufficiently deep one.

415

User's manual of SECOM2: a computer code for seismic system reliability analysis

Tree-level scattering amplitudes of longitudinally polarized electroweak vector bosons in the Standard Model are calculated using Mathematica package Feyncalc. The modifications of low-energy theorems for longitudinally polarized W and Z in the Standard Model are discussed.

1997-01-01

416

Theoretical study of lithium isotope separation by displacement chromatography

This report is the user's manual of seismic system reliability analysis code SECOM2 (Seismic Core Melt Frequency Evaluation Code Ver.2) developed at the Japan Atomic Energy Research Institute for systems reliability analysis, which is one of the tasks of seismic probabilistic safety assessment (PSA) of nuclear power plants (NPPs). The SECOM2 code has many functions such as: Calculation of component failure probabilities based on the response factor method, Extraction of minimal cut sets (MCSs), Calculation of conditional system failure probabilities for given seismic motion levels at the site of an NPP, Calculation of accident sequence frequencies and the core damage frequency (CDF) with use of the seismic hazard curve, Importance analysis using various indicators, Uncertainty analysis, Calculation of the CDF taking into account the effect of the correlations of responses and capacities of components, ...

417

Theoretical Study of Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine.

Lithium isotope separation by displacement chromatography is studied using fundamental principles; the equations are derived assuming theoretical stages in lithium adsorption bands. The concentration profiles in the band are calculated numerically under unsteady state.

1982-01-01

418

The scattering amplitude for four off-shell tachyons from functional integrals

Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four t...

2002-01-01

419

The QCD coupling and parton distributions at high precision

We use functional integral techniques to calculate the scattering amplitude for four open off-shell tachyons in Witten's string field theory and show that the residues of the first three poles agree with those obtained using oscillator methods. (orig.).

420

TABLE A: SPTR SITE SELECTION ANALYSIS LOCATION V ... - NASA

A survey is given on the present status of the nucleon parton distributions and related precision calculations and precision measurements of the strong coupling constant {alpha}{sub s}(M{sup 2}{sub Z}). We also discuss the impact of these quantities on precision observables at hadron colliders. (orig.)

2010-07-15

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

421

Studies on the electronic structure of some cubic intermetallic compounds of dysprosium following the self-consistent augmented-plane-wave method

OPERATE AT SOUTH POLE WINTER AMBIENTS, GIVEN THE PROJECT'S BUDGET AND TIME LINES . ... 17 MAXIMUM ELECTRICAL LENGHT CONSTRAINED BY Ku-BAND AT 50 FT. ... A MAXIMUM LENGTH OF 50 FEET HAS BEEN SPECIFIED BY THE SYSTEM LINK CALCULATIONS TO ...

422

Structural, electronic and energetic properties of silicon carbon alloys

The energy bands and the nature of the conduction electrons have been studied for two intermetallic compounds of dysprosium, i.e, DyZn and DyRh, following the self-consistent augmented-plane-wave (APW) method. The convergence of energy was found to be rapid for DyZn because the shell of 3d"1"0 electrons for Zn lies below the conduction band. The Fermi energies (E/sub F/) have been calculated to be 0.421 and 0.477 Ry for DyZn and DyRh, respectively. The densities and the numbers of conduction electrons inside and outside the APW spheres in each of these compounds are calculated, and it is shown that the character of conduction electrons inside the APW sphere of Dy is predominantly of d type. In order to see the accuracy of these results, self-consistent calculations were done for DyZn for different choices of the exchange potentials, and the calculated number of conduction electrons did not change ...

423

Some numerical problems in atomic physics

We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing and is strongly composition dependent. The electron densities ...

2007-01-15

424

Single dilepton production at [ital e][sup +][ital e][sup [minus

The numerical calculation of oscillatory wavefunctions occurring in the theory of electron scattering from positive ions is considered, the aim being to develop methods for evaluating the oscillatory solutions using a logarithmic grid. Thus, the permitted step-size for the solution depends only upon the potential, enabling calculations at different energies to be performed using the same discretisation. Two similar generalisations of the W.K.B. transformation for second order ordinary differential equations are made and applied to the radial Dirac equations. Iterative schemes for the solution of the resulting non-linear amplitude equations are discussed, one for use in the asymptotic region and the other a Newton scheme for continuing the solution closer to the origin. Using these techniques a reliable and efficient program for calculating relativistic scattering phase shifts from ionic potentials has been written. ...

1981-01-01

425

Simulation of natural circulation in PGV-1000 steam generator

We calculate the cross sections for the single production of doubly charged dileptons, both scalar and vector, at [ital e][sup +][ital e][sup [minus

1994-08-01

426

Simulation of natural circulation in PGV-1000 steam generator

The PGV-1000 secondary side natural circulation calculation results for steady-state operational conditions and their analysis using the data of actual NPP circulation investigation are presented. (3 refs., 3 figs., 3 tabs.).

1993-12-31

427

Signature splitting and configuration assignments in three-quasiparticle rotational bands

The PGV-1000 secondary side natural circulation calculation results for steady-state operational conditions and their analysis using the data of actual NPP circulation investigation are presented. (3 refs., 3 figs., 3 tabs.).

1992-09-29

428

Sequential Sampling Plans for the Hairy Chinch Bug (Hemiptera: Lygaeidae)

There are 173 three quasiparticle rotational bands, out of which 38 bands display signature splitting and sometimes a signature inversion also. The observed signature splitting is basically due to the higher order Coriolis coupling and calculation based on particle rotor model (PRM) are in progress

2003-12-01

429

Selection of trends for recultivation of land in the Dnieper coal basin

... was log (s2) = 1.183 + 1.692 log (x) (r2 = 0.96; df = 1, 43; F = 1067.40; P kc was calculated according to Ruesink (1980), using 15. ... ...

430

Scattering amplitude for four off-shell tachyons from functional integrals

Types of disorders in the earth's surface as a result of open pit mining operations are analyzed. Trends for recultivation of lands are defined. Formulas are presented for calculating the economic expediency of the selected direction of recultivation.

1980-01-01

431

Radioactive Waste Disposal for Fission and Fusion Reactors.

We use functional integral techniques to calculate the scattering amplitude for four open off-shell tachyons in Witten's string field theory and show that the residues of the first three poles agree with those obtained using oscillator methods.

1988-05-30

432

RISK-XLR: A Microcomputer-Based Genetic Risk Program for X-Linked Recessive Traits

The calculated radioactive waste inventories of the Turkey Point pressurized water fission reactor (PWR) and the Starfire conceptual fusion tokamak are compared as a function of time from initial start-up to 10,000 years after decommissioning. Only materi...

1989-01-01

433

Proteomic patterns analysis with multivariate calculations as a promising tool for prompt differentiation of early stage lung tissue with cancer and unchanged tissue material

A computer program, RISK-XLR, which calculates genetic risk for carrier status of a Mendelian X-linked recessive condition has been written for the Macintosh series of microcomputers. The program,...Full Text Available

1987-11-04

434

Probabilities of a catastrophic waste hoist accident at the Waste Isolation Pilot Plant

BackgroundLung cancer diagnosis in tissue material with commonly used histological techniques is sometimes inconvenient and in a number of cases leads to ambiguous conclusions. Frequently...Full Text Available

435

ProMoST: A tool for calculating the pI and molecular mass of phosphorylated and modified proteins on 2 dimensional gels

This report shows the probability of a catastrophic accident involving the WIPP waste hoist system. Calculations and mitigation to reduce the probability of an accident and to minimize the impact of such an accident should be included. 10 refs., 8 figs., 4 tabs.

1990-01-01

436

Potential description of cluster channel of lithium nuclei

Protein modifications such as phosphorylation are often studied by two-dimensional gel electrophoresis since the perturbation in the protein’s pI value is readily detected by this method....Full Text Available

2009-01-01

437

Positron annihilation in high-T/sub c/ superconductors

The new Gaussian potentials and interactions with forbidden states consistent with the phase scattering at low energies were obtained. Cross sections, resonance level spectra and some characteristics of bound states of lithium nuclei are calculated with these potentials.

438

Particle creation if a cosmic string snaps

We report ab initio calculations of positron wave functions in the high-T/sub c/ superconductors YBa_2Cu_3O_7, Bi_2Sr_2CaCu_2O_8, and Tl_2Ba_2CaCu_2O_8 using the general potential linearized augmented plane-wave method. The calculated positron wave functions are fairly insensitive to whether or not electron-positron correlation is included in the calculation for YBa_2Cu_3O_7 and Tl_2Ba_2CaCu_2O_8, but the calculated positron density is quite sensitive to correlation in Bi_2Sr_2CaCu_2O_8. While the positron wave function samples primarily the chain region in YBa_2Cu_3O_7, the results indicate that positrons should be good probes of the Cu-O layer-derived electronic states near the Fermi energy in Tl_2Ba_2CaCu_2O_8 since a large overlap with these states is predicted.

439

On the probability of flucton production in the 1p-shell nuclei

We calculate the Bogolubov coefficients for a metric which describes the snapping of a cosmic string. If we insist on a matching condition for all times {\\it and} a particle interpretation, we find no particle creation.

1994-01-01

440

On the possibilities of a phase transition of superconducting type in the gross-Neveu model

Probabilities of flucton production have been calculated for the 1p-shell nuclei and its modification by the Yastrov method. The results obtained are in a qualitative agreement with the data resulting from the analysis of experiment in an assumption of a flucton mechanism of proton-nuclear inclusive reactions with the production of cumulative particles.

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

441

Normal parity states in lithium isotopes

It is shown that calculation of the anomalous expectation values for the massless Gross-Neveu model in the Hartree-Fock approximation indicates the presence of an ordinary chiral phase transition if the coupling constant has the normal sign (g > 0) and of a different transition of the superconductivity type if g < 0.

1995-11-01

442

Noncommutative differential geometry and connections on simplicial manifolds

Shell model calculations are reported for the properties of normal parity states of /sup 7/Li, /sup 8/Li and /sup 9/Li. Fits to new experimental data are displayed, some ambiguities resolved, and structure information provided for help in further investigations.

1983-11-21

443

Noise parameter forecasting and noise reduction design at working places in coal preparation plants

For a simplicial manifold we construct the differential geometry structure and use it to investigate linear connections, metric and gravity. We discuss and compare three main approaches and calculate the resulting gravity action functionals. (author)

1997-05-01

444

New methods for electronic structure calculations

Discusses the Methodological Directions for Expected Noise Calculation and Noise Reduction Design in Coal Preparation Plants developed at the Institute of Solid Fuel Preparation. Calculation of expected sound pressure levels is described. An exemplary chart of noise levels in the coal feed section of the coal preparation plant at the Taldinskii surface mine is presented. Procedures for planning noise pollution abatement measures and checking the expected noise levels are considered and explained on the example of the project of the coal crushing section in the Taldinskii plant (Kemerovugol' association) designed by Sibgiproshakht. A SMD-117 jaw crusher, 300 mm screen and a conveyor are to work in a space of 45,820 m{sup 3} with 30 m ceiling height. The expected noise level calculated for the working place of the crusher operator is 93-95 dBA without noise isolation and 85.5 dBA with noise isolation. A block diagram ...

1989-02-01

445

Modeling of the band structure of Bi_2Se_2Te crystallites deposited on Si and SiO_2 substrates

This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 introduces a canonical ensemble formulation of the method, which is more appropriate than the usual grand ...

1988-01-01

446

Modeling of soluble impurities distribution in the steam generator secondary water

The band structure (BS) of crystalline Bi_2Se_2Te both pure as well as deposited on Si or SiO_2 (substrates) was calculated for the first time. The calculation approach consists of an orthogonalization of the plane wave basis set with respect to the core-like orbitals and the application of the Perdew-Alder exchange-correlation scheme. In addition, a virtual crystal approach was applied. Experimental ellipsometric spectra were used as a criterion of the advantages of the different calculation techniques. The results of traditional one-electron methods of BS calculations, using norm-conserving pseudo-potential (NCPP), and full linear augmented plane wave (FLAPW), were compared with the experimental data. Better agreement with experiment is achieved when the NCPP wave functions are orthogonalized to the 4dBi core-like states. Concerning the LMTO and the FLAPW all-electron methods, only appropriate ...

2004-06-15

447

A model was developed to compute concentration of impurities in the WWER 440 steam generator (SG) secondary water along the tube bundle. Calculated values were verified by concentration values obtained from secondary water sample chemical analysis. (orig.). 2 refs.

1997-12-31

448

Meson spectrum

Mechanical Properties of Cellular Materials

Using the Klein-Gordon equation with a box potential, a mass formula describing the family of nonflavored meson states with I = 1 is derived. The energy levels calculated agree with those observed within an accuracy of approx. 5%. In the model discussed quarks behave like tachyons.

1987-12-01

449

Mean distance of closest approach of alkaline-earth metals ions in aqueous solutions: Experimental and theoretical calculations

The authors calculated the stress-strain relation for elastomeric foam from an ab initio theory, which shows that the plateau and densification regions should be described by a hyperbola. The theory seems to agree reasonably well with experiment.

1999-07-09

450

British Library Electronic Table of Contents (United Kingdom)

The estimation of numerical values of the mean distance of closest approach of ions, a, of alkaline-earth metal ion salts in aqueous solutions, determined from activity coefficients, as well as from different theoretical approaches, is presented and discussed.

2010-01-01

451

Magnetic resonance imaging and computational fluid dynamics (CFD) simulations of rabbit nasal airflows for the development of hybrid CFD/PBPK models

Mach 4 Performance of Hypersonic Inlet with Rectangular-to ...

The percentages of total airflows over the nasal respiratory and olfactory epithelium of female rabbits were calculated from computational fluid dynamics (CFD) simulations of steady-state inhalation....Full Text Available

2009-05-01

452

Local structure of Ca dopant in BaTiO_3 by Ca K-edge X-ray absorption near-edge structure and first-principles calculations

station in flowmeter used for mass flow calculation. Introduction. THE design .... length (as a result of a less conservative boundary-layer separation criterion), 2) slight ..... ical Flow, AGARD Conference Proceedings, No. 30, 1968. 5Kantrowitz ...

453

Iterative estimation of the background in noisy spectroscopic data

The local environment of Ca dopants in barium titanate, BaTiO_3, is investigated by Ca K-edge X-ray absorption near-edge structure (XANES) spectroscopy. In conjunction with experiments, first-principles calculations by two methods are systematically made. The projector-augmented wave (PAW) method is used to optimize the local structure and obtain the formation energy. The augmented plane wave plus local orbitals method is adopted to obtain theoretical XANES spectra. A comparison between experimental and theoretical XANES spectra shows that Ca dopants are located at the Ba"2"+ sites forming Ca"2"+. Formation energy calculations of Ca doped BaTiO_3 by the PAW method also give the same results. The Ca atom in BaTiO_3 is off-centering in comparison with the Ba site in BaTiO_3. The off-centering of Ca atom is newly revealed by the combination of XANES spectroscopy and first-principles DFT calculations.

2010-06-01

454

Iterative diagonalization in augmented plane wave based methods in electronic structure calculations

In this paper, we present an iterative filtering method to estimate the background of noisy spectroscopic data. The proposed method avoids the calculation of the average full width at half maximum (FWHM) of the whole spectrum and the peak regions, and it can estimate the background efficiently, especially for spectroscopic data with the Compton continuum.

2009-04-21

455

Investigations on different methods of the statistical evaluation of disturbances by supply interruptions; Untersuchung unterschiedlicher Methoden der statistischen Auswertung von Stoerungen mit Versorgungsunterbrechung. Ist zuverlaessig gleich zuverlaessig?

Due to the increased computer power and advanced algorithms, quantum mechanical calculations based on Density Functional Theory are more and more widely used to solve real materials science problems. In this context large nonlinear generalized eigenvalue problems must be solved repeatedly to calculate the electronic ground state of a solid or molecule. Due to the nonlinear nature of this problem, an iterative solution of the eigenvalue problem can be more efficient provided it does not disturb the convergence of the self-consistent-field problem. The blocked Davidson method is one of the widely used and efficient schemes for that purpose, but its performance depends critically on the preconditioning, i.e. the procedure to improve the search space for an accurate solution. For more diagonally dominated problems, which appear typically for plane wave based pseudopotential calculations, the inverse of the diagonal of (H - ES) ...

2010-01-20

456

Investigation and prediction of the severity of p53 mutants using parameters from structural calculations

The authors shortly describe some basic aspects relating to probabilistic reliability calculation and to the derivation of component reliability data. (GL)

2008-01-28

457

Influence of geometry and operating conditions of a centrifugal compressor stage on the radial gas force

A method has been developed to predict the effects of mutations in the p53 cancer suppressor gene. The new method uses novel parameters combined with previously established parameters. The most important...Full Text Available

2009-08-01

458

British Library Electronic Table of Contents (United Kingdom)

The influence of geometry and operating conditions of the centrifugal compressor stage on the radial gas force is determined on the basis of the theoretical method and calculation program using experimental boundary conditions.

2011-01-01

459

In-vivo coronary flow profiling based on biplane angiograms: influence of geometric simplifications on the three-dimensional reconstruction and wall shear stress calculation

Hyperfine splitting in the rotational levels of the C/sub 2/H molecule

BackgroundClinical studies suggest that local wall shear stress (WSS) patterns modulate the site and the progression of atherosclerotic lesions. Computational fluid dynamics (CFD)...Full Text Available

460

High-spin structure of odd $^{71-81}$Ga isotopes with shell model

The hyperfine splitting in the rotational levels of the C/sub 2/H molecule is calculated as far as N = 10. Line strengths and transition probabilities are determined for permitted transitions with DN = 1, DF = 0, +- 1.

1980-11-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

461

High-energy reaction cross sections of light nuclei

The recently measured experimental data of Argonne National Laboratory for high-spin states in neutron-rich $^{71,73,75,77}$Ga isotopes have been interpreted in the framework of large-scale shell model. Calculations have been performed in $f_{5/2}pg_{9/2}$ model space with two recent effective shell model interactions, JUN45 and jj44b. We also predict high-spin states for $^{79,81}$Ga, where very little is known experimentally. The calculated results show that existence of band structure built on top of the 3/2$^-$, 5/2$^-$ and 9/2$^+$ levels in $^{71-77}$Ga. The collective structure reflected in experimental data is not well reproduced in calculated values. The calculated positive parity states in $^{71,73,75}$Ga are higher in energy in comparison to experimental finding, while for $^{77,79}$Ga, the positive parity states are in better agreement. Both the interactions predict, leading configuration of ...

2011-01-01

462

Heats (enthalpies) of formation of coals and the thermodynamic evaluation of the coal formation process

The high-energy reaction cross sections of Li and Be isotopes are calculated using a simplified Glauber model and densities constrained by the empirical binding energies. We find excellent agreement with experiment, reproducing the large increase for the most neutron-rich nuclei.

1989-03-01

463

British Library Electronic Table of Contents (United Kingdom)

An approach to the calculation of the quantity of heat consumed in the process of coal formation is presented. The variability of this parameter in a coalification series is analyzed using coals from the Kuznetsk and Tunguska Basins as an example.

2011-01-01

464

Guidelines on exchangers

Experience has shown that a list of tips provides designers and engineers with an effective guide in their areas of duties and concern. This list contains new and rare information on heat exchangers and heat recovery systems. The information presented can be used effectively with personal computers and pocket calculators and also conveniently translated into computer programs and nomographs.

1985-08-01

465

Global emission trends

Generalized hybrid derivative coupling model for finite nuclei

Emissions of sulphur and nitrogen oxides are continuing to fall in Europe but rise in Asia, according to calculations based on individual countries' predictions of economic development. The upward trend is slower than in previous predictions. 2 refs., 2 figs., 2 tabs.

2005-06-01

466

Full Calculation of Clumpiness Boost factors for Antimatter Cosmic Rays in the light of \\LambdaCDM N-body simulation results

The generalized hybrid derivative coupling model has been applied to explore various ground state properties of different nuclei. In this work we have confined our calculation only to the model characterized by the hybridization parameter {alpha} = 1/4 which gives better results than the other models of the same class, as we have seen earlier, for nuclear matter calculations. The binding energy, single-particle energy spectra, density and charge radii of different doubly closed nuclei like {sup 16}O, {sup 40}Ca, {sup 48}Ca, {sup 90}Zr, {sup 132}Sn, {sup 208}Pb have been studied. The success of this model, in describing the doubly closed nuclei, motivates us to extend this calculation further in the case of open shell nuclei after incorporating the pairing interaction and using a BCS transformation. We have calculated the binding energy for such nuclei. We have also studied the isotopic shift for ...

2001-03-01

467

Feynmann variance-to-mean method

Anti-proton and positron Galactic cosmic ray (GCR) spectra are among the key targets for indirect detection of dark matter (DM). The boost factors, corresponding to an enhancement of the signal|linked to the clumpiness properties of the dark matter distribution|, have been taken as high as thousands in the past. The dramatic impact of these boost factors for indirect detection of antiparticles, for instance with the PAMELA satellite or the coming AMS-02 experiment, asks for their detailed calculation. We take into account the state-of-the-art results of high resolution N-body dark matter simulations to calculate the most likely energy dependent boost factors|linked to the GCR propagation properties|, for anti-protons and positrons. The results from extreme, but still possible, configurations of the clumpy dark matter component is also discussed. Starting from the mass and space distributions of sub-halos, the anti-proton and positron ...

2007-01-01

468

FT-IR spectroscopic studies of polycyclic aromatic hydrocarbons

The Feynmann and other fluctuation techniques have been shown to be useful for determining the multiplication of subcritical systems. The moments of the counting distribution from neutron detectors is analyzed to yield the multiplication value. We present the methodology and some selected applications and results and comparisons with Monte Carlo calculations.

1985-01-01

469

Estimating production rates and operating costs of timber harvesting equipment in the northern Rockies. General technical report

Proper assessment of the hypothesis which correlates polycyclic aromatic hydrocarbons (PAHs) with the unidentified infrared emission bands requires additional experimental laboratory data. In order to address this need, thermal infrared emission studies were performed on a subset of PAHs suggested to be of astrophysical importance. It was proposed that infrared emission from interstellar PAHs occurs following absorption of an ultraviolet photon. Since energy transfer to the ground electronic state can be rapid for a species in which intersystem crossing is negligible, the emission spectrum may be viewed as resulting from an equilibrium vibrational temperature (Leger and d'Hendecourt, 1987). This has been the basis for using infrared absorption spectra to calculate the corresponding emission spectra at various temperatures. These calculations were made using room temperature infrared absorption coefficients instead of those at the temperature of ...

1990-04-01

470

Establishing the Irish Critical Care Trials Group: 'who wins in battle makes many calculations before the battle is fought'

The report summarizes studies of ground, cable, and aerial logging systems in the Northern Rockies over a 15-year period. It provides nomographs and tables for calculating productivity and a system for comparing energy requirements.

1982-09-01

471

Enhancing Process and Data Collection Efficiency of Peripherally Inserted Central Catheter Insertion for Justification of an Intravenous Access Program.

Quality research, requiring large numbers of participants, in the intensive care unit (ICU) population requires multicentre collaboration. Although logistically challenging, this methodology reduces...Full Text Available

2008-01-01

472

EPA On-line Tools for Site Assessment Calculation | Ecosystems...

This purpose of this paper is to describe the optimizing Peripherally Inserted Central Catheter (PICC) insertion, revising data collection strategies, estimating workloads, and calculating the financial savings generated by the vascular access nurse (VAN)...

2004-01-01

473

Do energetic heavy nuclei penetrate deeply into Earth's atmosphere?

MWo = average molecular weight of fuel est. 105 g/mole for gasoline est. 165 g/mole for Jet fuel est. 230 g/mole for diesel fuel MWX = molecular weight of selected chemical...

2011-01-19

474

Diesel engine exhaust and lung cancer: an unproven association.

We calculate the expected fluxes of cosmic ray nuclei with charge 5 ≤ Z ≤ 28 at various depths in the earth's atmosphere, taking into account the initial charge distribution,...Full Text Available

1980-01-01

475

The risk of lung cancer associated with diesel exhaust has been calculated from 14 case-control or cohort studies. We evaluated the findings from these studies to determine whether there is sufficient...Full Text Available

1995-09-01

476

Deformation of CHS model

DISPERSION TOLERANCE CALCULATION FOR NSLS-II.

We calculate mass spectrum of CHS model deformed by an exactly marginal operator, and find that there are tachyons which are not localized in the target space. Similar deformation is discussed in another CFT which corresponds to separated NS5-branes. A condensation of the tachyons is briefly argued.

2002-10-07

477

Core reactor calculation using the adaptive remeshing with a current error estimator

In this paper we discuss the effect on the emittance of the residual dispersion in the insertion devices. The dispersion in the straights could be generated by the lattice error, trim dipole, and insertion device. The effect on the emittance is examined, and the dispersion tolerances are given for the NSLS-11.

2007-06-25

478

Computer modelling of eddy current probes

With the objective to improve the reactor physics calculation on a 2D and 3D nuclear reactor via the Diffusion Equation, an adaptive automatic finite element remeshing method, based on the elementary area (2D) or volume (3D) constraints, has been developed. The adaptive remeshing technique, guided by a posteriori error estimator, makes use of two external mesh generator programs: Triangle and TetGen. The use of these free external finite element mesh generators and an adaptive remeshing technique based on the current field continuity show that they are powerful tools to improve the neutron flux distribution calculation and by consequence the power solution of the reactor core even though they have a minor influence on the critical coefficient of the calculated reactor core examples. Two numerical examples are presented: the 2D IAEA reactor core numerical benchmark and the 3D model of the Argonauta research reactor, built in ...

479

Computer code analysis of steam generator in thermal-hydraulic test facility simulating nuclear power plant.

Computer programs have been developed for modelling impedance and transmit-receive eddy current probes in two-dimensional axis-symmetric configurations. These programs, which are based on analytic equations, simulate bobbin probes in infinitely long tubes and surface probes on plates. They calculate probe signal due to uniform variations in conductor thickness, resistivity and permeability. These signals depend on probe design and frequency. A finite element numerical program has been procured to calculate magnetic permeability in non-linear ferromagnetic materials. Permeability values from these calculations can be incorporated into the above analytic programs to predict signals from eddy current probes with permanent magnets in ferromagnetic tubes. These programs were used to test various probe designs for new testing applications. Measurements of magnetic permeability in magnetically biased ferromagnetic materials have ...

1992-10-01

480

Comparisons of two-phase microgravity calculations using current and new flow regime maps in RELAP5

In the study three loss-of-feedwater type experiments which were preformed with the PACTEL facility has been calculated with two computer codes. The purpose of the experiments was to gain information about the behaviour of horizontal steam generator in a ...

1995-01-01

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481

Comparisons of two-phase microgravity calculations using current and new flow regime maps in RELAP5

Recently, many experiments designed to quantify the parameters involved in microgravity two-phase flow have been performed. These experiments give significant insight to the differences between the flow regimes in 1-g and microgravity. However, the new correlations for pressure drop, heat transfer, and the flow regime maps are yet to be implemented into analytical methods. The purpose of this study is to model a KC-135 microgravity experiment, using the thermal-hydraulic does RELAP5/MOD2 and ATHENA. A comparison of these experimental results to code calculations from RELAP5/MOD2 and ATHENA is shown. Results show little difference between the ATHENA and the RELAP5 calculations. Also, modifications are made to the two-phase flow regime map in RELAP5 to model microgravity predictions. There is a substantial difference between the code's calculation before and after the changes were implemented. The heat transfer ...

1988-01-01

482

Clinical Assessment of Mirror Artifacts in Spectral-Domain Optical Coherence Tomography

Recently, many experiments designed to quantify the parameters involved in microgravity two-phase flow have been performed. These experiments give significant insight to the differences between the flow regimes in 1-g and microgravity. However, the new correlations for pressure drop, heat transfer, and the flow regime maps are yet to be implemented into analytical methods. The purpose of this study is to model a KC-135 microgravity experiment, using the thermal-hydraulic does RELAP5/MOD2 and ATHENA. A comparison of these experimental results to code calculations from RELAP5/MOD2 and ATHENA is shown. Results show little difference between the ATHENA and the RELAP5 calculations. Also, modifications are made to the two-phase flow regime map in RELAP5 to model microgravity predictions. There is a substantial difference between the code's calculation before and after the changes were implemented. The heat transfer correlations ...

1988-11-04

483

Childhood cancer and overhead powerlines: a case-control study.

Purpose.To investigate the characteristics of a spectral-domain optical coherence tomography (SD-OCT) image phenomenon known as the mirror artifact, calculate its prevalence, analyze...Full Text Available

2010-07-01

484

Chemical-equilibrium calculations for aqueous geothermal brines

A case-control study has been carried out to examine the occurrence of childhood cancer in relation to the proximity of overhead power lines to a child's home address at birth and to the calculated...Full Text Available

1990-12-01

485

Calculations of physical and chemical reactions produced in irradiated water containing DNA

Results from four chemical-equilibrium computer programs, REDEQL.EPAK, GEOCHEM, WATEQF, and SENECA2, have been compared with experimental solubility data for some simple systems of interest with geothermal brines. Seven test cases involving solubilities of CaCO/sub 3/, amorphous SiO/sub 2/, CaSO/sub 4/, and BaSO/sub 4/ at various temperatures from 25 to 300/sup 0/C and in NaCl or HCl solutions of 0 to 4 molal have been examined. Significant differences between calculated results and experimental data occurred in some cases. These differences were traced to inaccuracies in free-energy or equilibrium-constant data and in activity coefficients used by the programs. Although currently available chemical-equilibrium programs can give reasonable results for these calculations, considerable care must be taken in the selection of free-energy data and methods of calculating activity coefficients.

1981-05-01

486

Calculation of groundwater travel time

Initial results obtained with a Monte Carlo computer program designed to link initial physical events in irradiated liquid water with subsequent chemical and biological events are presented. 10 refs., 4 figs., 3 tabs.

1985-01-01

487

Calculation of cosmic ray antiproton-proton ratio

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

1984-12-01

488

Calculating Radiation Exposures during Use of ¹⁴C-Labeled Nutrients, Food Components, and Biopharmaceuticals To Quantify Metabolic Behavior in Humans

Cross section parameterizations for antiproton production in pp collisions are used to predict the antiproton/proton ratio resulting from a flux of cosmic protons with energy spectral index of 2.6 interacting with a 5 gm/cm/sup 2/ column density of H. (GHT)

1980-01-01

489

Assessment of the air quality impact of SO/sub 2/ emissions from the Asarco-Tacoma smelter. Final report Jun 75-Jun 76

¹⁴C has long been used as a tracer for quantifying the in...Full Text Available

2010-04-28

490

Anaerobic Growth Yields of Aerobacter cloacae and Escherichia coli

The major purpose of the work described in this report was to use diffusion modeling techniques to calculate the impact on ambient air quality of SO2 emissions from the ASARCO copper smelter in Tacoma, Washington for the existing smelter configuration (51-percent constant emissions control) and for 20 alternative smelter configurations with varying degrees of constant emissions control. The accuracy of the modeling techniques was established by the close correspondence obtained between calculated and observed short-term ground-level SO2 concentrations for 20 selected historical cases, when high hourly SO2 concentrations were measured in the area surrounding the smelter, as well as by the close agreement between calculated and observed annual average concentrations for 1972. The results of the model calculations show that the maximum allowable constant SO2 emission rate consistent with maintaining the ...

1976-07-01

491

AAPM TG-43 formalism for brachytherapy dose calculation of a 137Cs tube source

Aerobacter cloacae UW-C83 and Escherichia coli K-12 were grown under various anaerobic environments. Y_atp values were calculated by determination...Full Text Available

1967-10-01

492

A two-stage sequential linear programming approach to IMRT dose optimization

We present a development of the use of the AAPM TG-43 dose formalism applied to "1"3"7Cs gynecological implant sources. The geometry factor, radial dose function, and anisotropy function of a "1"3"7Cs source modeled after the Nuclear Associates 67-809 series stainless steel jacketed tube source were derived following the AAPM TG-43 formalism. The dose rate distribution through the center of the source using the AAPM TG-43 dose formalism is calculated and compared with the calculations obtained using the Sievert summation and Monte Carlo simulation. The three methods resulted in an agreement within less than 5%, or an isodose rate line agreement within 2 mm. We demonstrate that the AAPM TG-43 formalism can be applied to "1"3"7Cs linear sources and is capable of serving as a "1"3"7Cs dose calculation algorithm that can be used for treatment planning purpose.

2004-04-01

493

A thermodynamic data base for Tc to calculate equilibrium solubilities at temperatures up to 300 deg C

The conventional IMRT planning process involves two stages in which the first stage consists of fast but approximate idealized pencil beam dose calculations and dose optimization and the second...Full Text Available

2010-02-07

494

A relativistic O (a{sup 2}) improved action for heavy quarks

Thermodynamic data has been selected for solids and aqueous species of technetium. Equilibrium constants have been calculated in the temperature range 0 to 300 deg C at a pressure of 1 bar for T<100 deg C and at the steam saturated pressure at higher temperatures. For aqueous species, the revised Helgeson-Kirkham-Flowers model is used for temperature extrapolations. The data base contains a large amount of estimated data, and the methods used for these estimations are described in detail. A new equation is presented that allows the estimation of #DELTA#_rCdeg_p_m values for mononuclear hydrolysis reactions. The formation constants for chloro complexes of Tc(V) and Tc(IV), whose existence is well established, have been estimated. The majority of entropy and heat capacity values in the data base have also been estimated, and therefore temperature extrapolations are largely based on estimations. The uncertainties derived from these calculations ...

495

A problem in the COBRA-EN code related to the void fraction calculation

The authors extend the Fermilab formalism for heavy quarks to develop an {Omicron}(a{sup 2}) improved relativistic action. They discuss their construction of the action, including the identification of redundant operators and the calculation of the improvement coefficients.

2004-01-05

496

A model for the single stranded random coil form of polydeoxyadenylic acid from minimum energy conformations of the dimeric subunit.

When a certain void fraction value is reached in the two-phase flow regime, a problem occurs in the COBRA-EN code. This problem was observed in the drift-flux model option and interrupts code execution. Two solutions are proposed to solve the problem.

2005-11-15

497

A convolution/superposition method using primary and scatter dose kernels formed for energy bins of X-ray spectra reconstructed as a function of off-axis distance: comparison of calculated and measured 10-MV X-ray doses in thorax-like phantoms

The minimum energy conformations of dApdA have been examined for their suitability as buildings blocks of the single stranded coil form of polynucleotides. Calculations of the characteristic ratio C...Full Text Available

1978-09-01

498

British Library Electronic Table of Contents (United Kingdom)

We performed experimental studies on the convolution/superposition method reported in the former companion paper (Iwasaki in Radiol Phys Technol 4, 2011) using 10-MV X-ray beams from open-jaw-collimated fields. The method uses primary and scatter dose kernels formed for energy bins of X-ray spectra reconstructed as a function of off-axis distance. We made a comparison of calculations and measurements in water phantoms and thorax-like phantoms with respect to percentage depth dose curves, tissue???phantom ratio curves, and dose profiles. We made the dose calculation by taking into account the beam-hardening effect with depth and the off-axis radiation-softening effect. We found that the method could be used, in general, for performing accurate dose calculations.

2011-01-01

499

49 CFR 221.5 - Definitions.

Spontaneous radiation of an electron beam in a free-electron laser with a quadrupole wiggler

...Colormetric System, which lie within the region bounded by the spectrum locus and lines defined by the following equations: X...intensity of a light in candela as defined by the Illuminating Engineering Society's Guide for Calculating the Effective...

2010-10-01

500