Energy Technology Data Exchange (ETDEWEB)

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)

CERN Document Server

Full-Potential Electronic Structure Method

International Nuclear Information System (INIS)

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.

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

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).

International Nuclear Information System (INIS)

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 ...

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.

Energy Technology Data Exchange (ETDEWEB)

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.)

Science.gov (United States)

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.

International Nuclear Information System (INIS)

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 ...

Science.gov (United States)

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

CERN Document Server

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 ...

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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 ...

Science.gov (United States)

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...

International Nuclear Information System (INIS)

This paper presents a new method for the determination of the energy gap of superconductors. The V/sub max//kT versus #DELTA#/kT curve was calculated from tunneling theory. The maximum voltage in differential conductance V/sub max/ was measured from the electron tunneling spectrum. From V/sub max//kT and the curve, one can easily calculate the energy gap value #DELTA#. This method is simple, and the accuracy almost approaches that of the curve-fitting method.

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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)

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Science.gov (United States)

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/.

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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.)

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

The results for development of methods and computer programs for integrated optimization of parameters of perspective fast reactors are given. The possibilities of the program for the reactor campaign calculation are analysed. This program is based on utilisation of the Bubnov-Galerkin method and Wigner disturbance theory. The possibility of application of approximation methods for the optimization researches is discussed. The results of development of the programs for complex reactor computations with account of control rods system and change of physical parameters in the reactor campaign are discussed. (author).

Energy Technology Data Exchange (ETDEWEB)

A new method for the determination of the cmc using a dialysis technique which allows monometric species to diffuse through but no micelles has been applied for determining the mixed micelle composition. The method is based on determining the amount of surfactant that diffuses through at two different times which allows for the calculation of the cmc by use of the appropriate equation. This method requires the preparation of only one concentration of solution and lends itself particularly well to the determination of the composition of mixed micelles. (orig.)

Energy Technology Data Exchange (ETDEWEB)

This paper presents two imaging methods by using cross correlation. The one method images the subsurface by cross-correlation of the observed data and partial derivative seismograms calculated for a guessed model. The other method images the interface by use of cross-correlation of the virtual sources and the back propagated wave fields calculated from the observed data. Experimental tests show that both methods image subsurface interfaces well even if the guessed model is different from the true one. These imaging methods are reverse time migration that we perform cross-correlation as an imaging condition and have an advantage, as compared to conventional waveform inversion method, that images subsurface structure without iterative perturbation of the assumed model. (author). 18 refs., 15 figs.

International Nuclear Information System (INIS)

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 ...

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of octahedral metal atom clusters Me/sub 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.

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

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)

International Nuclear Information System (INIS)

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, ...

Energy Technology Data Exchange (ETDEWEB)

A new microdensitometry method for quantitative assessment of bone mineral content using Fuji computed radiography (FCR) was developed and the results were compared with those obtained by the conventional film-screen method. Using both methods, X-ray pictures of the 2nd metacarpal bone were taken with a reference aluminum step wedge in nine normal subjects and nine parameters representing the width and density of bone marrow and cortex were calculated in middle of the bone shaft. Interobserver reproducibility assessed for three parameters was significantly higher in the FCR method than the conventional one. The value of {Sigma}GS computed by the FCR method, that is equivalent to the net bone density of the transverse section of the shaft, showed higher correlation with the one obtained by computed tomography in comparison with the conventional ...

International Nuclear Information System (INIS)

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. ...

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of small niobium clusters Nb/sub n/ (n = 2, 4, 6, 9) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-X/sub alpha/ method). It was found that both the methods led to the same results concerning equilibrium structures, energy level schemes, Fermi energies and band widths as well as the densities of states of the clusters. In solving solid state problems of transition metals with the aid of the cluster model a better adaptation of the EH method should be expected by adjusting the EH parameters to the SW-X/sub alpha/ results.

International Nuclear Information System (INIS)

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).

Energy Technology Data Exchange (ETDEWEB)

Most algorithms for three-dimensional (3D) reconstruction from electron micrographs assume that images correspond to projections of the 3D structure. This approximation limits the attainable resolution of the reconstruction when the dimensions of the structure exceed the depth of field of the microscope. We have developed two methods to calculate a reconstruction that corrects for the depth of field. Either method applied to synthetic data representing a large virus yields a higher resolution reconstruction than a method lacking this correction.

International Nuclear Information System (INIS)

An numerical method was developed for measuring radiant temperature using a set of absorption-foils coupled to soft x ray streak camera, SXRSC, in laser plasma experiments. An numerical code, SCC, was given. An x-ray intensity ratio vs temperature was calculated for Parylene, C_3H_6, Mylar and Aluminium. A suitable range of the measuring temperature was discussed to some absorber.

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

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.).

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.)

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

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.

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

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.).

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

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 ...

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.

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.

International Nuclear Information System (INIS)

The self-consistent relativistic linearized-augmented-plane-wave method is applied to local-density calculation of electronic structure of TmS. It is found that thulium monosulphide is a compound with a trivalent state of thulium. The influence of spin-orbital interaction is shown for different symmetry states of electrons. Calculated densities of states are used for the estimation of the electron-phonon coupling constant. And in conclusion it is shown that TmS is a high temperature Kondo-like system. (author).

Energy Technology Data Exchange (ETDEWEB)

This report is composed of the following two parts and appendix. (I) Improvement of the Method for Evaluating Reactivity Based on Monte Carlo Perturbation Theory: Theoretical formulation in Monte Carlo perturbation method had been checked, and then introduced into a calculation code. There are some cases that the results of the change of eigenvalues becomes positive or negative by changing the estimator, and there is no reasonable difference in the results between the conventional method, which does not consider the change of neutron source distribution caused by a perturbation, and the new method, which consider that change. Thus it is still necessary to check the Monte Carlo perturbation code. (II) Improvement of Nodal Transport Method for 3-D Hexagonal Geometry: We can accurately evaluate hexagonal geometry FBR core by nodal transport ...

International Nuclear Information System (INIS)

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 ...

CERN Document Server

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.

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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.

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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 ...

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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 ...

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The development of MCNP-DSP, which allows direct calculation of the measured time and frequency analysis parameters from subcritical measurements using the {sup 252}Cf-source-driven noise analysis method, permits the validation of calculational methods for criticality safety with in-plant subcritical measurements. In addition, a method of obtaining the bias in the calculations, which is essential to the criticality safety specialist, is illustrated using the results of measurements with 17.771-cm-diam, enriched (93.15), unreflected, and unmoderated uranium metal cylinders. For these uranium metal cylinders the bias obtained using MCNP-DSP and ENDF/B-V cross-section data increased with subcriticality. For a critical experiment [height (h) = 12.629 cm], it was {minus}0.0061 {+-} 0.0003. For a 10.16-cm-high cylinder (k {approx} 0.93), it was 0.0060 {+-} 0.0016, and ...

International Nuclear Information System (INIS)

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 ...

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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 ...

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Deals with slope stability problems met in the D coalfield of the Tamnava-Iztok surface coal mine where 171 Mt of brown coal have been excavated and 520 Mm{sup 3} of overburden. Six geomechanical methods were used to verify the reliability of slope angels (Hoek, Froehlich, Janbu, Bishop, Reame and Swase) along with the theory of finite elements. All calculations were accomplished by means of computers. It was found that the Ream method (combined Bishop and Fellenius method) provides the most reliable results in determining general slope angles. The Janbu method is mostly suited for locations with complicated geological conditions (multi-layer benches); the Swase method may be considered as most reliable for locations with simple geological conditions and for spoil banks. 5 refs.

Energy Technology Data Exchange (ETDEWEB)

The present authors have previously developed a new method for Probabilistic Fracture Mechanics (PFM), which they call Recursive Distribution (RD) method. The method is based on the construction of the Lebesgue-Stieltjes measure through a deterministic mapping defining a crack growth process. In the present paper, its theoretical background is first discussed, and the Lebesgue decomposition of the measure is given. Then a numerical example of a Light Water Reactor (LWR)`s piping problem is solved by the present method, and the results are compared with those of the Monte Carlo (MC) method. In addition to leakage probability, a variation in stress cycles of the marginal distribution of an aspect ratio of a semi-elliptical surface crack is calculated, which will be used in a study on LBB evaluation.

International Nuclear Information System (INIS)

The National Radiological Protection Board is to carry out a survey of doses received by patients from the diagnostic use of X-rays, beginning in June 1977, and carried out at over 100 National Health Service hospitals. Details are given of the reasons for carrying out the survey and the survey objectives. The survey working methods are discussed, together with methods of calculation of the genetically significant dose. The radiation doses will be measured by a thermoluminescent dosimeter developed specially for the survey. (U.K.).

International Nuclear Information System (INIS)

The wavefunction of a positron in ReO is calculated using the augmented-plane-wave method. Due to the loosely-packed structure of ReO_3, the ground-state GAMMA_1 wavefunction exhibits a marked anisotropy particularly around the oxygen ions, and a large fraction of a positron is distributed in the interstitial region. Experimental results of the positron annihilation 2#gamma#-correlations and the positron annihilation rates in ReO_3 are discussed based on the positron wavefunction. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The numerical modelling of gravity changes resulting from the simultaneous effects of mass relocation and rock deformation is described. The method is supported by FEMMA (Finite Element Method for Multipurpose Applications) software, and has been used for modelling expected gravity changes in a large open pit coal mine in Poland. The results are in good agreement with conventional calculations of gravity changes for a simple geometry of relocated mass. 10 refs., 6 figs., 2 tabs.

International Nuclear Information System (INIS)

The Albedo Theory was applied in order to develop an one-group algorithm for coupled neutron-gamma shielding calculations. The configuration analyzed consists of multilayered plane systems, where a incident neutron current generates gamma radiation through neutron-gamma reactions. The results obtained by Albedo Method and ANISN code have shown excellent agreement. (author)

Energy Technology Data Exchange (ETDEWEB)

The Green's function method in the Quasiparticle Time Blocking Approximation is applied to nuclear excitations in {sup 132}Sn and {sup 208}Pb. The calculations are performed self-consistently using a Skyrme interaction. The method combines the conventional RPA with an exact single-particle continuum treatment and considers in a consistent way the particle-phonon coupling. We reproduce not only the experimental values of low-and high-lying collective states but we also obtain fair agreement with the data of non-collective low-lying states that are strongly influenced by the particle-phonon coupling. (orig.)

Energy Technology Data Exchange (ETDEWEB)

The task of designing high performance X-ray optical systemsrequires the development of sophisticated X-ray scattering calculationsbased on rigorous information about the optics. One of the mostinsightful approaches to these calculations is based on the powerspectral density (PSD) distribution of the surface height. The majorproblem of measurement of a PSD distribution with an interferometricand/or atomic force microscope arises due to the unknown ModulationTransfer Function (MTF) of the instruments. The MTF characterizes theperturbation of the PSD distribution at higher spatial frequencies. Here,we describe a new method and dedicated test surfaces for calibration ofthe MTF of a microscope. The method is based on use of a speciallydesigned Binary Pseudo-random (BPR) grating. Comparison of atheoretically calculated PSD spectrum of a BPR grating with a spectrummeasured with the grating provides the ...

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

Monte Carlo (MC) dose calculations can be accurate but are also computationally intensive. In contrast, convolution superposition (CS) offers faster and smoother results but by making approximations. We investigated MC denoising techniques, which use available convolution superposition results and new noise filtering methods to guide and accelerate MC calculations. Two main approaches were developed to combine CS information with MC denoising. In the first approach, the denoising result is iteratively updated by adding the denoised residual difference between the result and the MC image. Multi-scale methods were used (wavelets or contourlets) for denoising the residual. The iterations are initialized by the CS data. In the second approach, we used a frequency splitting technique by quadrature filtering to combine low frequency components derived from MC simulations with high frequency components derived ...

Energy Technology Data Exchange (ETDEWEB)

The current-carrying capacity of oil-filled cables is increased by forced cooling, which is accomplished by three methods: direct, surface and internal, depending on the relative positions of the cable and the cooling agent. The surface and indirect methods are the simplest and are sufficiently effective methods of cooling and make it possible to improve the current-carrying capacity of cables already mastered by the USSR's industry. A calculation method is suggested for the proper determination of the permissible load on lines of these sorts. A procedure is presented whereby equations are derived which make it possible to calculate the temperature of elements of the system and by means of an iteration calculation a determination is made of the total heat flow from the cable with which the temperature of the conductor along the line ...

International Nuclear Information System (INIS)

Building on the concepts of MIRD methods described by Webber, Watson and others at this Symposium on the Dosimetry of Administered Radionuclides, we will now consider how to apply these principles to several experimentally based open-quote macroclose quotes and multicellular models. Specifically, methods to calculate absorbed dose using different types of particulate emission (alpha, beta) with a variety of antibody carriers (IgG, F(ab')_2, Fab) for radioimmunotherapy (RIT) will be reviewed. Additionally, a discussion of direct measurement methods at the multicellular level will reveal the problems of tumor absorbed dose heterogeneity when applied to animal and clinical studies.

International Nuclear Information System (INIS)

A methodology of tsunami PSA was developed in this study. A tsunami PSA consists of tsunami hazard analysis, tsunami fragility analysis and system analysis. In the case of tsunami hazard analysis, evaluation of tsunami return period is major task. For the evaluation of tsunami return period, numerical analysis and empirical method can be applied. The application of this method was applied to a nuclear power plant, Ulchin 56 NPP, which is located in the east coast of Korean peninsula. Through this study, whole tsunami PSA working procedure was established and example calculation was performed for one of real nuclear power plant in Korea

Energy Technology Data Exchange (ETDEWEB)

Method is proposed for expanding the pile foundation elastic analysis method (displacement method) to cover a larger displacement region, and its appropriateness is verified by a field test. In this report, stability calculation is discussed in which the present displacement method is expanded by assuming an equivalent plastic hinge on the pile head and by replacing the soil spring in the large displacement region with an equivalent linear elastic spring. A static horizontal loading test is conducted for a foundation using a real pile, which is an application of this method. On the assumption that a hinge is generated on the pile head, the pile spring constant of the current displacement method is replaced with a value that takes into consideration the plastic hinge region, and this enables the analysis of pile behavior even after breakdown. ...

British Library Electronic Table of Contents (United Kingdom)

In the field of Living Probabilistic Safety Assessment (LPSA) the reliability data updating is an important factor. In risk analysis equipment failure data is needed to estimate the frequencies of events contributing to risk posed by a facility. Five years data of emergency diesel generator (EDG) of Daya Bay Nuclear Power Plant (NPP) has been studied in this paper. The data updating process has been done by using two methods, i.e., the classical method and Bayesian method. The aim of using these methods is to calculate the operational failure rate (@l) and demand failure probability (p). The results show that the operational failure rate is 1.7E-3 per hour and the demand failure probability is 2.4E-2 demand per day for Daya Bay NPP. By comparing the results obtain from classical and Bayesi...

British Library Electronic Table of Contents (United Kingdom)

A new numerical technique called the convolution-based particle tracking (CBPT) method is developed to simulate resident or flux-averaged solute concentrations in groundwater models. The method is valid for steady-state flow and linear transport processes such as sorption with a linear sorption isotherm and first-order decay. The CBPT method uses particle tracking to take advantage of the ability of particle-based approaches to maintain sharp fronts for advection-dominated transport problems common in groundwater modeling and because of the flexibility of the random walk method to simulate a wide range of possible forms of the dispersion tensor. Furthermore, the algorithm for carrying out the convolution and superposition calculation from particle tracking results is very efficient. We sho...

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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 ...

Energy Technology Data Exchange (ETDEWEB)

The calculations of the photodetachment cross section for the C{sup -} negative ion has been performed within the newly-developed many-body theory method, the RPAE interchannel interaction and dynamic relaxation and polarization corrections being included. The 2s{sup 1}2p{sup 4} shape resonance is shifted to a higher photon energy and broadens as compared to the resonance parameters determined earlier within the RPAE, which is consistent with the experimental evidence and the recent R-matrix calculations. (orig.) 18 refs.

International Nuclear Information System (INIS)

The effect of heat transfer is described from heat exchange tubes of a horizontal steam generator on the distribution of primary water to the individual tubes of the tube bundle. It is shown that in a broad interval of mass flow rates and lengths of heat exchange tubes, the simplified method of calcualtion, i.e., calculation of the distribution of primary water into heat exchange tubes neqlecting the changes of physical properties of water along the heat exchange tubes, will yield sufficiently accurate results. (author).

Energy Technology Data Exchange (ETDEWEB)

In reservoir fluid flow, the situation described by an increase in nonwetting phase saturation followed by an increase in wetting phase saturation causes a relative permeability hysteresis effect that is well known. This paper presents a method which allows the calculation of imbibition relative permeability starting at any saturation. The data required are the drainage curve, the historical maximum non wetting saturation, and a minimum of one additional point on some corresponding experimental imbibition curve. In this development, all imbibition curves are shown to be parallel. Also significant is the fact that the residual nonwetting phase saturation can be calculated without a complete experimental specification of the imbibition curve. 5 refs.

International Nuclear Information System (INIS)

The results of theoretical and experimental investigations, describing the effect of ionizing radiation on wood and its main components and methods for production of wood-plastic composites by means of radiation-induced chemical modification are generalized. Domestic and foreign experience in their production is systematized; physico-mechanical characteristics of new material, simulation and calculation of irradiating devices, as well as calculation and experimental study of #gamma#-radiation attenuation both by wood material and by wood of different species are given. Gamma sources ("6"0Co isotope, a hot loop of a nuclear reactor) as well as electron accelerators are considered as ionizing radiation sources.

Energy Technology Data Exchange (ETDEWEB)

We decided to investigate first the interaction of hydrogen with the 4d transition-metal series, with the first element being hcp Y. Because of the recent development of soft pseudopotentials, we chose to use the plane wave basis set to carry out the calculation. Since problems had been associated with the slow convergence in transition metals, we first tested the computational methods by studying the structural properties of Y; results were encouraging. We started the calculation of YH{sub x} with hydrogen occupying different interstitial sites.

International Nuclear Information System (INIS)

The composite wave variational version of the APW (augmented plane wave) method is used to obtain the electronic band structure of the compounds boron phosphide and boron arsenide at the high symmetry points #GAMMA#, X, and L. The tight binding interpolation scheme of Slater and Koster is used to calculate the rest of the band structure. The results show that both these materials are indirect band gap semiconductors. The density of states, and the imaginary part of the dielectric constant is also calculated. The theoretical results are compared with the reported experimental and theoretical data. (author).

Science.gov (United States)

This paper obtains the acidity spectra of modernites and SVK-zeolites from the heats of adsorption of NH/sub 3/ at 300 C and compares the catalytic activity of these zeolites with the cracking of n-octane and the isomerization of o-xylene. It is shown that the calculation of the specific catalytic activity of centers of different strengths by the method of regional rates allows one to predict the activity of the zeolites from the acidity spectra. It follows from the calculation that only the centers of Bronsted acidity are active towards cracking but that the centers of Lewis acidity are also active towards isomerization.

International Nuclear Information System (INIS)

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 ...

Science.gov (United States)

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 ...

International Nuclear Information System (INIS)

The epithermal cross section shielding methods used in the lattice physics code EPRI-CELL (E-C) have been extensively studied to determine its major approximations and to examine the sensitivity of computed results to these approximations. The study has resulted in several improvements in the original methodology. These include: treatment of the external moderator source with intermediate resonance (IR) theory, development of a new Dancoff factor expression to account for clad interactions, development of a new method for treating resonance interference, and application of a generalized least squares method to compute best-estimate values for the Bell factor and group-dependent IR parameters. The modified E-C code with its new ENDF/B-V cross section library is tested for several numerical benchmark problems. Integral parameters computed by EC are compared with those obtained with point-cross section Monte Carlo ...

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...

Science.gov (United States)

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.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

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 ...

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...

International Nuclear Information System (INIS)

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)

International Nuclear Information System (INIS)

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.

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...

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

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).

International Nuclear Information System (INIS)

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).

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

Reactor COre Protection System (RCOPS), an advanced core protection calculator system, is a digitized one which provides core protection function based on two reactor core operation parameters, Departure from Nucleate Boiling Ratio (DNBR) and Local Power Density (LPD). It generates a reactor trip signal when the core condition exceeds the DNBR or LPD design limit. It consists of four independent channels adapted a two-out-of-four trip logic. System configuration, hardware platform and an improved algorithm of the newly designed core protection calculator system are described in this paper. One channel of RCOPS was implemented as a single channel facility for this R and D project where we performed final integration software testing. To implement custom function blocks, pSET is used. Software test is performed by two methods. The first method is a 'Software Module Test' and the second ...

Energy Technology Data Exchange (ETDEWEB)

The use of the ratio of the characteristic intensity to the continuum background intensity (P/B ratio) of the X-ray spectrum for a quantitative ion microprobe (IMP) or PIXE (particle induced X-ray emission) analysis of thin biological specimens was proposed previously. The IMP analysis of thick biological specimens is also of considerable practical use. In this paper, the possibility of using the P/B ratio to quantify minor elements in thick biological specimens is investigated. The epoxy resin based standards with gradual concentrations of KCNS up to 0.6 mol/kg and NBS bovine liver were analyzed by a 27 MeV {alpha} particle microprobe. The measured peak to background ratios (between 4.4 to 5.7 keV) agreed well with the theoretical calculations. The calculations showed that the concentration dependence of the P/B ratios was determined mainly by the absorption of X-rays in specimens. The results indicate that the P/B method ...

International Nuclear Information System (INIS)

The calculation of electronn beam dose using an algorithms similar to convolution/superposition methods for photon beams [1,2,3,4] is explored. The distribution of dose deposited by a number of monoenergetic, point-monodirectional electron pencil beams is first determined using the Monte Carlo method [5,6]. These elementary distributions are combined to model distributions that would result from the spectrum of incident energies and angles [6,7] present in a clinical beam. These modified distributions are then stored for use as kernels in the dose calculation. In the case of a homogeneous phantom, the relative fluence distribution is convolved with the stored kernels to obtain thhe dose distributions in 3 dimensions. Since the kernels cannot be assumed to be spatially invariant in a heterogeneous water-like phantom, the dose deposited on paths from the interaction site to all the dose deposition sites ...

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Shielding calculations for neutron-gamma radiation are usually done by using the full Theory of Transport or the Monte Carlo Techniques. After some works based on the Albedo Method, the shielding calculations for neutron-gamma radiation have a reliable tool with great didactical value which shows its clarity and simplicity for the resolution of cases that involve neutrons and photon shielding in nonmultiplying media. The excellent results of these works have motivated the elaboration and the development of this study that will be presented in this dissertation. The balance of a neutronic current entering a shield of two layers considering the coupling neutron-gamma will be determined by the Albedo Method. The shield will be composed of a layer of iron and another one of manganese with 10 cm of thickness each. The arrays of the materials coefficients will be obtained from the ANISN code. ANISN is a one ...

Energy Technology Data Exchange (ETDEWEB)

The principal mathematical tools frequently available for calculations in Nuclear Engineering, including coupled neutron-gamma radiations shielding problems, involve the full Transport Theory or the Monte Carlo techniques. The Multigroup Albedo Method applied to shieldings is characterized by following the radiations through distinct layers of materials, allowing the determination of the neutron and gamma fractions reflected from, transmitted through and absorbed in the irradiated media when a neutronic stream hits the first layer of material, independently of flux calculations. Then, the method is a complementary tool of great didactic value due to its clarity and simplicity in solving neutron and/or gamma shielding problems. The outstanding results achieved in previous works motivated the elaboration and the development of this study that is presented in this dissertation. The radiation balance ...

Energy Technology Data Exchange (ETDEWEB)

This series of measurements with a mixed Pu-U nitrate solution (280 g Pu/liter, 180 g U/liter) in a 35.54-cm-diam cylindrical tank provides a wide variety of experimental data for subcritical configurations that can be used to verify calculational methods and nuclear data. The Pu contained 7.85 wt% {sup 240}Pu and the uranium was natural uranium. The measurements performed were: inverse count rate, prompt neutron decay constants, inverse kinetics, and frequency analysis by the {sup 252}Cf source driven method. These data are presented in sufficient detail that the results of the experiments can be calculated directly. For purposes of extrapolating to the delayed critical height the ratio of spectral densities was linear with height and thus provided the best estimate of critical height.

Science.gov (United States)

We propose a new algorithm for two-dimensional magnetotelluric (MT) inversion. Our algorithm is an MT inversion based on the steepest descent method, borrowed from the backpropagation technique of seismic inversion or reverse time migration, introduced in the middle 1980s by Lailly and Tarantola. The steepest descent direction can be calculated efficiently by using the symmetry of numerical Green's function derived from a mixed finite element method proposed by Nedelec for Maxwell's equation, without calculating the Jacobian matrix explicitly. We construct three different objective functions by taking the logarithm of the complex apparent resistivity as introduced in the recent waveform inversion algorithm by Shin and Min. These objective functions can be naturally separated into amplitude inversion, phase inversion and simultaneous inversion. We demonstrate our algorithm by showing ...

International Nuclear Information System (INIS)

Electronic structure, volume optimization, bulk moduli, elastic constants, and frequencies of the transversal optical vibrations in LiH, NaH, KH, RbH, and CsH are calculated using the full potential augmented plane wave method, extended with local orbitals, and the full potential linearized augmented plane wave method. The obtained results show some common features in the electronic structure of these compounds, but also clear differences, which cannot be explained using simple empirical trends. The differences are particularly prominent in the electronic distributions and interactions in various crystallographic planes. In the light of these findings we have elaborated some selected experimental results and discussed several theoretical approaches frequently used for the description of various alkali hydride properties.

International Nuclear Information System (INIS)

In order to develop a numerical tool for the fast evaluation of CANDU refuelling schemes, a Linear Sensitivity Matrix method (LSM) is developed. It assumes that all the effects caused by various perturbations to the core state are independent to each other and the core response to a perturbation is proportional to its magnitude. In this way, the main core parameters of a refuelling scheme can be derived by simple algebraic operations with the use of pre-calculated sensitivity matrices, without resorting to the complicated and time-consuming 3D core calculation. Verification against the Qinshan CANDU reactor operation history demonstrates that LSM is capable of generating accurate results and running very fast for evaluating a refuelling scheme. (authors)

International Nuclear Information System (INIS)

A 20-MeV proton accelerator is developed by Proton Engineering Frontier Project (PEFP) at Korea Atomic Energy Research Institute (KAERI). The 20MeV accelerator consists of 50keV proton injector, 3MeV RFQ (Radio frequency Quadrupole), 20MeV DTL (Drift Tube Linac) and 20MeV beam line. The beam profile was measured at the end of the 20MeV beam line with wire scanner. Moreover the beam emittance was calculated from the quad scan method using beam line quadrupole magnets. In this paper, the beam profile measurement results are presented and the emittance measurement from the quad scan method is discussed

International Nuclear Information System (INIS)

Objective: To establish a computer program for rapid calculation of internal committed effective close through inhalation and ingestion pathways under radiological emergency. Methods: Visual Basic 6.0 is used to compile the generic procedures of internal committed effective dose by inhalation and ingestion in IAEA-TECDOC-1162, Generic Procedures for Assessment and Response during a Radiological Emergency. Results: The assessment methodology of internal committed effective dose by inhalation and ingestion under radiological emergency in the report IAEA-TECDOC-1162 can be coded into a computer program. Conclusions: This research provides a rapid method of assessment for internal committed effective dose by inhalation and ingestion under radiological emergency, and it may provide needed dosimetry data for treatment under emergency response. (authors)

International Nuclear Information System (INIS)

Current methods to calculate dose distributions with organ motion can be broadly classified as 'dose convolution' and 'fluence convolution' methods. In the former, a static dose distribution is convolved with the probability distribution function (PDF) that characterizes the motion. However, artifacts are produced near the surface and around inhomogeneities because the method assumes shift invariance. Fluence convolution avoids these artifacts by convolving the PDF with the incident fluence instead of the patient dose. In this paper we present an alternative method that improves the accuracy, generality as well as the speed of dose calculation with organ motion. The algorithm starts by sampling an isocenter point from a parametrically defined space curve corresponding to the patient-specific motion trajectory. Then a photon is sampled in the linac head and ...

Energy Technology Data Exchange (ETDEWEB)

The effects of the heating rate from 0.6 up to 50{sup o}C.s{sup -1} on the thermoluminescence of {alpha}-Al{sub 2}O{sub 3}:C are very intensive. The material rapidly loses its high sensitivity as the heating rate increases. The peak shape characteristics, peak maximum and full width at half maximum agree only qualitatively with those theoretically predicted. The trapping parameters calculated by the curve fitting method, the peak shape method, the variable heating rate method and the initial rise method, were found to decrease as the heating rate increases. The validity of the results are discussed in the framework of the kinetic models. (author).

International Nuclear Information System (INIS)

For the determination of the thermal-hydraulic performances of rough surfaces, the method of evaluation is particularly important. In order to increase confidence in the results, a new evaluation procedure was introduced. This procedure is based on the transformation of simple channel experimental results to equal boundary conditions, and on the suitable application and confirmation of these transformed values in more complicated flow channel geometries. Existing methods, applied to the results obtained in an annular channel, do not fulfil all the transformation requirements. Thus a new, more complete transformation method, which uses the turbulent eddy diffusivity model, was developed. To check the quality of this transformation, within the scope of the new evaluation procedure, the results of experimental investigation in annular channels and in a bundle of hexagonal geometry were used together with the predictions of ...

Energy Technology Data Exchange (ETDEWEB)

A study, based on a literature review was made to examine currently recommended meteorological measurement programs and diffusion prediction methods for nuclear power plants to determine their adequacy for plants located in coastal zones. Although procedures for handling the near-worst case (stable, light-wind situation) were judged adequately conservative, deficiencies in guidelines and procedures were found with respect to the following: failure to consider the role of coastal internal boundary layers; specifications for tower locations and instrument heights; methods of classifying atmospheric stability; methods of allowing credit for plume meander, and models specified for diffusion calculations. Recommendations were made for changes in the guidelines applicable to these topics. Areas in which additional research is needed were identified.

British Library Electronic Table of Contents (United Kingdom)

The FVM-LES-acoustic analogy method (FVM-LES-AAM), which is a hybrid prediction technique for the acoustical property computation, is presented and performed in this paper. The FVM-LES-AAM was developed by combining the finite volume method (FVM), the large eddy simulation (LES), and the Ffowcs Williams-Hawkings analogy algorithm (FWH-AA). To predict the acoustical properties of induction cookers, the FVM is used for discretizing the calculation field and building numerical equations, and the LES and FWH-AA are performed for computing the sound sources and predicting the far-field sound, respectively. Using the FVM with the unstructured grids method to discretize the control equation of Navier-Stokes was introduced for illuminating the above numerical simulation procedure. To prove the FVM...

Energy Technology Data Exchange (ETDEWEB)

In 1992, the Federal Energy Regulatory Commission (FERC) began using a Flow Duration Analysis (FDA) methodology to assess headwater benefits in river basins where use of the Headwater Benefits Energy Gains (HWBEG) model may not result in significant improvements in modeling accuracy. The purpose of this study is to validate the accuracy and appropriateness of the FDA method for determining energy gains in less complex basins. This report presents the results of Oak Ridge National Laboratory`s (ORNL`s) validation of the FDA method. The validation is based on a comparison of energy gains using the FDA method with energy gains calculated using the MWBEG model. Comparisons of energy gains are made on a daily and monthly basis for a complex river basin (the Alabama River Basin) and a basin that is considered relatively simple hydrologically (the Stanislaus River Basin). In addition to validating the FDA ...

Energy Technology Data Exchange (ETDEWEB)

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. Since the FEM (Finite Element Method) ray tracing we have developed goes well the inverse velocities structure, we can apply the inversion problem to complex ...

Energy Technology Data Exchange (ETDEWEB)

This paper reports on three-dimensional continuous-energy coupled neutron-gamma Monte Carlo models of the Advanced Neutron Source (ANS) final preconceptual and conceptual reference core designs developed using the Monte Carlo Neutron and Photon transport code (MCNP) Version 3b. These models contain the reactor core with control rods, the heavy water reflector tank with shutdown rods and some beam tubes, and the outer light water pool. Eighty homogenized fuel zones per fuel element are used to represent the radial and axial {sup 235}U fuel distribution. These models are the most sophisticated, physically accurate reactor physics models of the ANS currently available. The use of MCNP methods and applications to the ANS are demonstrated. Beam tube studies, coolant voiding studies, and many criticality studies have already been performed, as have studies with variance reduction techniques. In comparison with deterministic methods, MCNP proves ...

International Nuclear Information System (INIS)

Non-invasive methods are described for estimating local cerebal blood flows (LCBF) and local partition coefficients (L#lambda#) during inhalation of 30 % stable xenon gas (Xe) in oxygen during CT scanning. After the denitrogenation with pure oxygen breathing, 30 % Xe is inhaled for four minutes to minimize subanesthetic effects with a rubber facemask and the delivery system of Xe. Local time-#DELTA# Hounsfield units curve during the Xe wash-in and wash-out phase is utilized in order to calculate L#lambda# and LCBF using a least squares curve fitting analysis. Calculated L#lambda# and LCBF with the new method manifested reasonable distribution between the grey and white matters, and reproducibility was excellent in our study. Several case studies of patients with cerebral infarction are presented to demonstrate the characterization of L#lambda# and LCBF patterns in various tissues and theoretical grounds ...

Energy Technology Data Exchange (ETDEWEB)

If climate changes are expected, their regional impacts are of special interest. Up to now (and in the near future) global climate models have been unable to deliver applicable results to describe the climate situation within a selected region (IPCC, 1995). That is why the description of the climate development in such an area must be realised by another possibility of creating meteorological data. Of importance besides is that the consistency in space and time and also between all meteorological parameters is not infracted. The used method proceeds on the assumption that the large scale changes of several meteorological parameters for a defined region calculated by a GCM can be regarded as correct as regards their tendencies. Based on such an assumption, long-term observed time series are prepared by statistical methods in such a way that they reflect the GCM-calculated changes by a scenario. The ...

International Nuclear Information System (INIS)

Available in abstract form only. Full text of publication follows: The uncertainties of decommissioning costs increase high due to several conditions. Decommissioning cost estimation depends on the complexity of nuclear installations, its site-specific physical and radiological inventories. Therefore, the decommissioning costs of nuclear research facilities must be estimated in accordance with the detailed sub-tasks and resources by the tasks of decommissioning activities. By selecting the classified activities and resources, costs are calculated by the items and then the total costs of all decommissioning activities are reshuffled to match with its usage and objectives. And the decommissioning cost of nuclear research facilities is calculated by applying a unit cost factor method on which classification of decommissioning works fitted with the features and specifications of decommissioning objects and establishment of ...

International Nuclear Information System (INIS)

A transient eddy current measurement method is presented to determine the thickness and conductivity of a conductive plate. The conductive plate is induced by an air-cored coil, the magnetic flux density along the axial is measured and the various signals corresponding to plates with different thickness and conductivity are calculated using a 3D transient eddy current simulator. Characteristic features are obtained from the transient response. A similarity-based modeling method is utilized in this study to estimate the thickness and conductivity of the conductive plate. (author)

Science.gov (United States)

The metal-semiconductor solar cell is a potential candidate for converting solar energy to electrical energy for space and terrestrial application. In this paper, a method for obtaining parameters of practical antireflection (AR) coatings for the metal-semiconductor solar cells is given. This method utilizes the measured equivalent index of refraction obtained from ellipsometry, since the surface to be AR coated has a multilayer structure. Both the experimental results and theoretical calculations of optical parameters for Ta/sub 2/O/sub 5/ AR coatings on Au-GaAs and Au-GaAs/sub 0.78/P/sub 0.22/ solar cells are presented for comparison. (AIP)

Energy Technology Data Exchange (ETDEWEB)

A method for the determination of different ''bare'' characteristics of the one-particle motion and one-particle basis in magic nuclei is described. The method is based on separating out the mixing with phonons from the phenomenological one-particle characteristics. By means of a generalization of the procedure for localization of the mass operator, relations linking the bare and phenomenological characteristics are obtained. The radial dependence of these characteristics in finite nuclei and the influence of the quasiparticle--phonon interaction on the phenomenological characteristics are studied. Calculations are performed for the neutrons in /sup 208/Pb.

International Nuclear Information System (INIS)

Doubly-excited 2s-12p-13pnp autoionizing resonance series of Ne atom as well as autoionizing resonances in the 2s region of Na and Mg atoms have been studied with monochromatized synchrotron radiation. Use of charge-separated photoion-yield method allowed us to detect these weak resonances in a clarified way in the yield curves of doubly-charged ions. The observed resonance states have been interpreted with the help of MCDF calculations, and the decay processes of these resonance states are discussed briefly.

International Nuclear Information System (INIS)

The report is divided into three sections. The first section contains a general introduction to ion exchange resins used in various processes, the second section describes characteristic properties of the polymer materials and the inter relation between them. This will, in turn, be useful to interpret the data obtained from the various tests carried out on the resins in the laboratory. In the third section of the report, are given the details of each method used for a particular test to be carried out on a routine basis. Each method describes the principle involved, the reagents and apparatus used in the experiment, the actual procedure and calculations and recording of the data. 3 refs. (author).

International Nuclear Information System (INIS)

A theoretical analysis is presented for the method of determining the concentration distribution of admixtures in zone melting and in the study of diffusion in melts. Continuous mode X-ray fluorescence analysis is considered. The convolution integral interpreting the analog output of the ratemeter was solved applying the mathematical apparatus of Z transformation. The feasibility of the method is tested on an example of the determination of tin distribution in tungsten. With respect to the statistical error (#delta#<1.5%), the maximum integration constant (100 s) and a very slow sample feed (0.025 mm/s) were used. The calculated transfer function reflects the total transfer function of the ratemeter and the recorder used. (M.D.).

Energy Technology Data Exchange (ETDEWEB)

The validity is given to the newly proposed two {delta}f method for neoclassical transport calculation, which can be solve the drift kinetic equation considering effects of steep plasma gradients, large radial electric field, finite banana width, and an orbit topology near the axis. The new method is applied to the study of ion transport with steep plasma gradients. It is found that the ion thermal diffusivity decreases as the scale length of density gradient decreases, while the ion particle flux due to ion-ion self collisions increases with increasing gradient. (author)

Energy Technology Data Exchange (ETDEWEB)

The use of the method is described on powder samples before and after sintering with a La content of up to 1%. For excitation of the K series of La a /sup 241/Am source with an activity of 1.11 GBq was used. The obtained results showed that the method is sufficiently accurate (error 7%) at a short period of measurement (100 s). It gives satisfactory results even in the comparison of the experimental relative count rate and the theoretically calculated value despite the fact that the analytical signal comes from the sample surface.

British Library Electronic Table of Contents (United Kingdom)

A one parameter family of iterative methods for the simultaneous approximation of simple complex zeros of a polynomial, based on a cubically convergent Hansen-Patricks family, is studied. We show that the convergence of the basic family of the fourth order can be increased to five and six using Newtons and Halleys corrections, respectively. Since these corrections use the already calculated values, the computational efficiency of the accelerated methods is significantly increased. Further acceleration is achieved by applying the Gauss-Seidel approach (single-step mode). One of the most important problems in solving nonlinear equations, the construction of initial conditions which provide both the guaranteed and fast convergence, is considered for the proposed accelerated family. These cond...

Energy Technology Data Exchange (ETDEWEB)

Thalassaemic patients are in need of frequent assessment of bone age because of growth failure and pubertal disorders. To compare the ''rapid'' Greulich and Pyle (G and P) method with the third edition of the Tanner and Whitehouse (TW3) method for determining skeletal maturity and predicting final height in thalassaemic patients. A total of 191 radiographs from 58 patients (28 male, 30 female) were retrospectively evaluated by two investigators, one for each method. In 47 radiographs from 15 patients having attained their adult height, predicted final height was calculated according to each method. The mean bone ages determined by both the G and P and TW3 methods were lower than mean chronological age, although the differences were not statistically significant (10.04 {+-} 3.69 years and 9.98 {+-} 3.39 years vs. 10.78 {+-} ...

Energy Technology Data Exchange (ETDEWEB)

This paper introduces the summary of design guideline (draft) for the limit state design method for foundation structures, and examples of calculations on pile foundations. The limit states were set using the load to transformation curves, and the limit state No. 3 in particular assumed a large earthquake, a state that a foundation is fatally damaged because of rarely acting loads that lead to generation of displacement and loss of stability and functions. Ground survey coefficient, ground resistance coefficient, and ground property coefficient were defined especially as the safety coefficients. With respect to the displacement in the limit state No. 3, a restriction value was set for the plasticity of the foundation. Loads were given considerations of combination of permanent load, variation load, and accidental load, each having been set with a load coefficient. It was decided regarding earthquakes to discuss strength and toughness of ...

International Nuclear Information System (INIS)

We provide a numerically efficient procedure to perform LDA+Hubbard I calculations including self-consistency over the charge density in the FP-LAPW basis. The method is applied to Pu, Am, and PuAm and PuCe alloys. Our results for valence photoemission spectra (PES) agree with experimental data and with previous LDA+DMFT calculations. Analysis of the J=5/2 and J=7/2 contributions to the f-occupation supports the intermediate-coupling picture of f-states in heavy actinides. The electronic specific heat coefficient is calculated for PuAm and PuCe alloys in reasonable agreement with recent experiments. We show that Pu atoms keep their mixed-valence character in these alloys. Next, we study electronic and spectral properties of Pu-based superconductor PuCoGa_5 and obtain good agreement with experimental PES. Finally, we analyze surface effects. In Pu monolayer, we find substantial modification of PES due to ...

Energy Technology Data Exchange (ETDEWEB)

The Kyoto Protocol is often described as a good first step towards reducing greenhouse gas (GHG) emissions into the atmosphere. The Protocol endorses emissions trading, joint implementation including 'bubbling' between Annex 1 Parties, and a clean development mechanism that allows Annex 1 and non-Annex 1 Parties to act together to reduce emissions. However, the anticipated permit market will not function if uncertainties are not rigorously assessed and considered in any compliance process. With no reliable verification tool, it is impossible to effectively assess the different mechanisms and activities mentioned under the Protocol. Thus, it is very important to study the uncertainties underlying the Kyoto relevant GHGs, here with reference to Poland, because without the consideration of uncertainty robust verification can not occur. This paper presents information about the data used in the calculations as well as the methods ...

International Nuclear Information System (INIS)

Many types of pipe whip restraints are installed to protect the structural components from the anticipated pipe whip phenomena of high energy lines in nuclear power plants. It is necessary to investigate these phenomena accurately in order to evaluate the acceptability of the pipe whip restraint design. Various research programs have been conducted in many countries to develop analytical methods and to verify the validity of the methods. In this study, various calculational models in ANSYS code and in ADLPIPE code, the general purpose finite element computer programs, were used to simulate the postulated pipe whips to obtain impact loads and the calculated results were compared with the specific experimental results from the sample pipe whip test for the U-shaped pipe whip restraints. Some calculational models, having the spring element between the pipe whip restraint and the pipe ...

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

The article surveys studies into the global warming which have found that the OECD countries are responsible for less than half of the total registered warming. Calculation and analysis methods for estimating the global contributions from the blocks of OECD, Africa/America/Middle East, Asia and former Soviet Union/Eastern Europe are presented. The results and some pollution abatement measures are discussed.

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the C15, or cubic-Laves-phase material, UAl/sub 2/ has been calculated using the linearized relativistic augmented-plane-wave method. The anomalous behavior of the electrical resistivity, specific heat, and magnetic susceptibility can be explained by the fine structure of the density of states near the Fermi energy alone, without the necessity of the introduction of drastic spin fluctuations or many-body effects.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.

Energy Technology Data Exchange (ETDEWEB)

Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl/sub 4/xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.

Science.gov (United States)

An original method is proposed for ensuring time-invariant (stationary) interior ballistic parameters in the postprojectile space of a gun barrel. Stationarity of the parameters is achieved by investing the solid-propellant charge with highly original structures that produce the required pressure condition and linear growth of the projectile velocity. Simple relations are obtained for calculating the principal characteristics.

International Nuclear Information System (INIS)

Results of the evaluation of the scattered radiation effect on the image of defects in examined products are given. The formula is suggested which characterizes the image of defects on a scintillation screen as well as accumulation factors are calculated by the Monte-Carlo method. Values of fluctuations of absorbed energy in the screen used for the evaluation of sensitivity are experimentally obtained. The effect of high-energy bremsstrahlung on the defect detection is analyzed.

International Nuclear Information System (INIS)

In the present work, range and energy loss rate of "2"8Si in four dielectric track detectors viz: Makrofol-KG (MFKG), Makrofol-G (MFG), Triafol-BN (TBN) and LR-115 (cellulose nitrate) have been measured. To calculate these parameters, a curve fitting method was proved to be very useful and easier with more accuracy. (author)

International Nuclear Information System (INIS)

The inhibitor action of unbranched polyamines on corrosion of low-carbon steel in 0.5 M sulfuric acid is studied through potentiostatic polarization curves. It is shown that the inhibitor efficiency I depends on the polyamine concentration and molecular structure. The quantum-mechanical calculations of molecular properties are accomplished through the MNDO method. Correlation between the measured I and physicochemical properties of the polyamine inhibitors in protonized and nonprotonized form is found with application of the general perturbation theory

International Nuclear Information System (INIS)

From the frequency of diagnostic radiologic examinations and their radiation dose delivered to the population the risk of cancer induction and genetic damage is calculated on the basis of the risk factors given by the ICRP. Thus 0.38 % and 3 % of the total mortality for cancer and leukemia, resp., can be attributed to X-ray diagnostics. Chest examinations alone result in 0.07-0.7 damages per 100,000 persons depending on the imaging technique applied. (author).

Energy Technology Data Exchange (ETDEWEB)

General conclusions, principles and order of substantiating the extractable reserves and coefficients of oil extraction from oil and oil and gas fields are presented. Recommendations are made for solving questions of constructing calculation models for heterogeneous beds, schematization of the working conditions, selection of mathematical models for oil extraction for different geological-field conditions and different stages of ''life'' of the field.

International Nuclear Information System (INIS)

The European Research and Development Program on decay heat removal by natural convection for the European Fast Reactor (EFR) covers the calculational methods and the model experiments performed for code validation. The studies concentrate on important physical effects of the cooling modes within the primary system and the direct reactor cooling circuits and include fundamental tests as well as reactor experiments. (author)

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interaction to the magnetic structure in USb2 compound. The result shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons.

British Library Electronic Table of Contents (United Kingdom)

Tthe acceleration of a liquid from a cylindrical container by the products of instantaneous detonation of a superimposed explosive charge (implosion method) is studies numerically in a two-dimensional formulation. Analytical formulas for the asymptotic velocities of liquid expansion and acceleration of the container body were obtained using numerical calculations in a one-dimensional approximation. The effect of the fracture of the body on the velocity of liquid expansion was studied in a two-dimensional formulation.