A supplementary report to the plan for waste disposal in the Copenhagen area, Denmark. It presents a mapping of wastes and waste flow in invidual areas, a description of recycling methods and waste collection systems. In addition legislative demands and potentials are dealth with. (CLS).
Little is known about the rates of establishment and clonal spread of invasive plants on a landscape scale. This knowledge is necessary for reconstructing and predicting invasions, for example of the alien shrub Rosa rugosa. A series of aerial photographs (1986, 1999, 2002, 2004, 2006) were used to map the species in coastal dunes of north-western Denmark (2354ha), and all R. rugosa patches (1321) were recorded with GPS in 2004 and 2007. The 2004 records were used to digitize 82-161 distinct patches on the photographs. The increase in patch sizes from the older to the younger photographs was used to calculate a lateral clonal spread rate (0.42myear^-^1). Relative area increment by clonal spread was 16.4% per year, decreasing exponentially with patch size due to constant clonal lateral spre...
Abstract Background Atopic dermatitis (AD) affects health and quality of life and it has great impact on both health-care costs and costs to the society. Objectives The objective of this study was to develop a model to analyse the cost-effectiveness of a barrier-strengthening moisturizing cream as maintenance therapy compared with no treatment after initial treatment with betamethasone valerate in adult patients with AD in Sweden. A further aim was to apply a similar health-economic analysis for Denmark, Norway and Finland. Methods A Markov simulation model was developed including data from three sources: (i) efficacy data from a randomized controlled trial including patients with moderate AD treated with either a moisturizing cream or no treatment, (ii) resource utilization and quality of...
The emission of air pollutants from road vehicles is the most significant source of air pollution in towns. The chemical composition of these pollutive substances is dependent on the fuel, the type of vehicle and the character of the traffic system. The pollution concentration was measured, (nitrogen oxides and carbon monoxide) in relation to each type of vehicle, in four streets in the Copenhagen area. The system of measurement used was the ''Operational Street Pollution Model'' (OSPM). Results are presented in the form of tables and charts. (AB) 11 refs.
Between 1943 and 1982, 5,140 new cases of testicular cancer were diagnosed in Denmark. The age-standardized incidence rate more than doubled in the period. Striking variations is seen in the age-relationship...Full Text Available
Denmark has been one of the first countries in the world to commit itself to a sustainable energy development. This has been substantiated by two official action plans from 1990 and 1996 with emphasis on energy efficiency and supply systems based on renewable energy. In year 2005, renewable energy sources are planned to cover 12-14% and in year 2030 about 35% of total Danish energy demand. This paper reviews the experiences with implementation of renewable energy in Denmark with a focus on wind power and biomass.
Abstract Background: This study involves a multicentre surveillance of tigecycline and tetracycline activity against Gram-negative and Gram-positive bacteria from primary care centres (PCCs), general hospital wards (GHWs) and intensive care units (ICUs) in Denmark (n == 9), Finland (n == 10), Norway (n == 7) and Sweden (n == 19). Methods: The hospitals were each asked to test 30 consecutive Gram-positive and 30 Gram-negative clinical isolates. Supportive information accompanying each isolate included the study centre, ward level (PCC, GHW, or ICU), patient identification and source of the isolate. Minimum inhibitory concentrations (MICs) for tetracycline and tigecycline were determined with the Etest. Results: The isolates collected comprised 1610 Gram-negative and 1767 Gram-positive clini...
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)
By the linear augmented plane wave method (APW) the energy zone of silver and technetium structure is calculated. The potential has been determined by means of superposition of atomic charge densities according to slater exchange method. Total and partial state densities have been calculated by the tetrahedron method. The APW-method convergence on the example of silver is studied, the comparison with the calculation results by the APW method and other data is carried out. The APW method high efficiency is pointed out. In dipole approximation the intensity distribution in L"3, M"5 N"3 technetium emission spectra is calculated.
A total of forty participants were included in the exercise, including NOAA, USEPA, state, Australian, Canadian, Mexican and Argentinean laboratories. Two samples were sent by NRC to each participant: a contaminated marine sediment from the vicinity of New York Bay and a freeze dried mussel (Mytilus edulis) from Charlottenlund, Denmark. Laboratories were also asked to analyze two certified reference materials NIST SRM 1566a, and NRC BCSS-1. The elements to be determined were Al, Cr, Fe, Ni, Cu, Zn, As, Se, Ag, Cd, Sn, Hg, and Pb for both matrices, plus Be, Si, Mn, Sb, and Tl for the sediments. An accepted mean and confidence interval were calculated for each analyte in the two unknown samples. Laboratory biases were identified and an overall rating of superior, good, fair or others was assigned to each laboratory.
Austria, Belgium, Czech Republic,. Denmark, Finland, France, Germany, .... Another study on ESA industry and partners: in relation with sustainability of ...
Ecopa, the European Consensus Platform on 3R-Alternatives, is an international not-for-profit organization that wants to stimulate the development of 3R-alternatives, increase awareness among the public, scientists and regulatory bodies, and help their implementation into the different national legislations. This is done by networking and bringing together National Consensus Platforms on 3R-alternatives. Consensus means that all parties concerned are represented, namely, animal welfare, industry, academia, and governmental institutions. Actually, 14 Member State Platforms exist. Fully complying with the criteria, set by ecopa, are the platforms of Austria, Belgium, the Czech Republic, Finland, Germany, Italy, the Netherlands, Spain, Sweden, Switzerland, and the United Kingdom. Under development are the platforms of Denmark, Norway, and Poland. To reach its goals, ecopa uses conventional scientific tools such as workshops and meetings but it also makes ...
Organic farming (or ecological agriculture) is of growing importance in the agricultural sector worldwide. In the Nordic countries, 1-10% of the arable land was in organic production in 1999. Organic farming can be seen as an approach to agriculture where the aim is to create integrated, humane, environmentally and economically sustainable agricultural production systems. Principles like nutrient recycling, prevention rather than treatment and the precautionary principle are included in aims and standards. Animal welfare is another hallmark of organic livestock production but despite this, several studies have indicated severe health problems e.g. in organic poultry production in Denmark. Also the quality of animal food products in relation to human health, particularly the risk of zoonotic infections, has been debated. For these reasons there is a need for improvement of production methods and animal health status. Vets play an important role ...
The National Survey and Cadastre - Denmark (KMS) has for several years produced gravity anomaly maps over the oceans derived from satellite altimetry. During the last four years, KMS has also conducted airborne gravity surveys along the coast of Greenland dedicated to complement the existing onshore gravity coverage and fill in new data in the very-near coastal area, where altimetry data may contain gross errors. The airborne surveys extend from the coastline to approximately 100 km offshore, along 6000 km of coastline. An adequate merging of these different data sources is important for the use of gravity data especially, when computing geoid models in coastal regions. The presence of reliable marine gravity data for independent control offers an opportunity to study procedures for the merging of airborne and satellite data around Greenland. Two different merging techniques, both based on collocation, are investigated in this paper. Collocation offers a way of ...
The document gives statistics on the pollutive emissions from Danish power plants during the period 1987-1996, the main pollutants being sulphur dioxide, nitrogen oxides and carbon dioxide. Data on efficiency levels relative to the production of electricity and heating and on the power plants` contribution to the total emission of CO{sub 2}, NO{sub x}, and SO{sub 2} from energy consumption in Denmark, are presented, and also as corrected for the net import of electricity. Other data on the emission of each of these chemicals by power plants are presented as factual, and corrected in accordance with the net import of electricity, and as factual per consumed and produced energy unit at the power plants. Short notes on related Danish legislation are found in addition to information on sources, methods and definitions used as a basis for the production of this document. Emission from power stations is dependent on their energy consumption which is ...
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.
To calculate the energy band structures in semiconductors using the relativistic augmented plane wave method, atomic potential and charge density are needed, which are calculated by self-consistent method. Wave function for one electron is determined by solving the Dirac equation with the Hartree-Fock equation based on the slater's exchange potential. The results of calculation for Cu"+"1 are given. (Author).
Removal Sampling is an easy-to-use Windows program which calculates population statistics from removal trapping experiment data. Using maximum likelihood methods it ... ...
This report describes the results of a large project conducted in a corporation between Statistics Denmark and the Danish National Environmental Research Institute. The main objective of the project has been to analyse the possibilities of prescribing the development in the Danish freight transport in a more appropriate and precise way than it is done by existing models. A secondary objective of the project was to develop a model based on the findings of the analysis. The intention was to be able to describe all areas of freight transport. The analysis has proven it impossible to improve the existing calculations in some areas of transport. Hence, the project has been narrowed down to focus exclusively on road freight transport. The developed model distinguishes itself from existing models by a much higher level of detail in the calculations. This enables the model to describe the structural relations between transport and ...
A Monte Carlo method called transient curve fitting method was developed to calculate a eigenvalues by first simulating the existing neutrons and precursors in the system, then calculating the Eigen-distribution of neutron flux and calculating the a eigenvalues using the transient results based on the Eigen-distribution by the code TMCC. The results of this method are tested by calculating Godiva Benchmark problems and they agree well with the benchmark results. Then the reasonable results of Subcritical Facility in Tsinghua University are given by TMCC, and the results are compared with the experimental results measured by Rossi-a method. Even in the deep subcritical cases, the method can give results consistent with experimental results. (authors)
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.
The implicit curve-fitting method has been used for fast and stable calculations of thermodynamic properties of subcritical refrigerants, and it has to use the saturated liquid or vapor state as the reference state. In order to extend the application range of this method in supercritical region, an isothermal state in the supercritical region is used as the reference state, and the implicit equations for supercritical refrigerants in this state and out of this state are established, respectively. The new calculationmethod can be used in the entire supercritical region. With the new method, thermodynamic properties of supercritical CO{sub 2} and R410A are predicted and compared with REFPROP 8. It shows that the total mean relative deviations of the fast calculation formulae from REFPROP 8 are less than 1%, while the mean ...
On the basis of symmetry way of texture description a calculationmethod 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.
We report the implementation of positron wave function and lifetime calculations in the all-electron full-potential linearized augmented plane wave method. Calculations of lifetimes for more than 30 materials with two different forms of the enhancement factor were done and compared to prior calculations and experiment. We find that reasonable agreement with experiment can be obtained within the local density approximation when all-electron full-potential calculations are done.
A novel direct calculationmethod 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 ...
A method of calculating the neutron source strength in irradiated Fast Flux Test Facility (FFTF), fuel has been developed and is presented in this paper. This method has been used to perform calculations in support of the reactivity monitoring of the FFTF reactor by the modified source multiplication method during refueling operations. 31 refs.
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.
This book contains the results of an architectural evaluation of building examples with integrated photovoltaic. Danish Building and Urban Research and Danish Technological Institute conducted the work within the framework of Solar Energy Centre Denmark. Seven examples are selected to inspire Danish architects and building owners to use PV in the building environment. The examples come from Denmark and countries (the Netherlands and Germany) with similar building traditions, climate and solar conditions. All the examples demonstrate architectural concepts that integrate photovoltaic as a natural part of the building envelope. (BA)
The Kernel Polynomial Method (KPM) has been successfully applied to tight-binding electronic structure calculations as an O(N) method. Here the authors extend this method to nonorthogonal basis sets with a sparse overlap matrix S and a sparse Hamiltonian H. Since the KPM method utilizes matrix vector multiplications it is necessary to apply S{sup {minus}1}H onto a vector. The multiplication of S{sup {minus}1} is performed using a preconditioned conjugate gradient method and does not involve the explicit inversion of S. Hence the method scales the same way as the original KPM method, i.e. O(N), although there is an overhead due to the additional conjugate gradient part. The authors show an application of this method to defects in a titanate/platinum interface and to a large scale electronic structure ...
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.
This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume III: Control Rods and Burnable Absorber Calculations. Perturbation Theory for Nuclear Reactor Analysis. Thermal Reactors Calculations. Fast Reactor Calculations. Seed-Blanket Reactors. Index.
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.
Objective: To estimate exposure dose of personnel around patients by Monte Carlo method and integration method. Methods: Exposures were estimated by a Monte Carlo practical program with Visual Basic 6.0 and integration method using 'pen-and-paper'. Results: Exposures for rectangle and ellipse sources were calculated. The difference between different methods for various sources were 0.88% and 0.61%, respectively. Conclusion: The results estimated by Monte Carlo method are close to those of integration method. It is illustrated that doses of other people estimated by Monte Carlo method are significant
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 ...
A method for calculation of absorbed dose distributions in three dimensions for 1-20 MeV photons is presented. The method uses convolution/superposition of photon fluence distributions with energy scattering kernels. Results for Co-60 and X-ray beams in homogeneous and inhomogeneous media are compared with measurements. Good agreement is found between calculations and measurements. 8 refs.; 3 figs.
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.
An algebraic formulation of the electromagnetic field in which various quantization procedures can be described was chosen to discuss perturbation calculations. It is shown that the Feynman rules and the second order calculation of the self-energy of the electron can be developed on the basis of the Fermi method of quantization. The algebraic approach clarifies the problems in defining the vacuum and other states which are associated with calculations in terms of field algebra operators. It is demonstrated that the vacuum state defined on the field algebra by Schwinger leads to incorrect results in the self-energy calculation.
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).
Calculations of refrigerant thermal properties are desired to be very fast and stable in cases of simulation of refrigeration system, etc. The traditional method based on equation of state cannot meet such requirement because of unavoidable iterations in calculation. In this paper, a new calculationmethod for refrigerant thermal properties is presented. Low order implicit polynomial equations are got by using curve-fitting method at first, and then explicit formulae for calculating refrigerant thermal properties quickly are obtained by getting the analytical solution of these implicit equations. Explicit fast calculation formulae for thermal properties of R22 and R407C, covering the saturated temperature of -60{approx}80 {sup o}C and superheat of 0-65 {sup o}C, are presented as examples. The ...
Techniques for reducing computation time in 3D photon dose calculations are addressed with specific emphasis given to the convolution/superposition approach. A single polyenergetic superposition model calculating absorbed dose per incident photon fluence (Gy cm"2) was developed in terms of TERMA and a total energy deposition kernel (a total point spread function). A novel approach was devised for reducing calculation time. The method, named the CF method, was based on the use of a conventional, fast model (here a modified power-law method was used) for the generation of 3D dose distributions on a fine dose matrix. Superposition calculations were carried out on a coarse matrix and calculation speed was increased simply by reducing the number of calculations. A set of correction factors was derived on ...
The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.
Calculationmethod 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.
During the last several years, audible noise produced by high voltage transmission lines in corona has emerged as an important design consideration. In this same time frame a number of different methods for calculating audible noise levels have been proposed. The methods currently available, for both ac and dc lines, are described in this paper and are compared through application to practical line geometries for which data from long-term measurements are available.
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 calculationmethods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)
Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)
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.
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 ...
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 ...
Purpose - The purpose of this paper is to investigate the accuracy of different force calculationmethods and their impact on mechanical deformations. For this purpose, a micrometer scaled actuator is considered, which consists of a micro-coil and of a permanent magnet (PM) embedded in a deformable elastomeric layer. Design/methodology/approach - For the magnetic field evaluation a hybrid numerical approach (finite element method/boundary element method (FEM/BEM) coupling and a FEM/BEM/Biot-Savart approach) is used, whereas FEM is implemented for the mechanical deformation analysis. Furthermore, for the magneto-mechanical coupling several force calculationmethods, namely the Maxwell stress tensor, the virtual work approach and the equivalent magnetic sources methods, are considered and co...
A method for calculating flow through an airfoil cascade drawn on a surface of revolution is discussed. The three-dimensional flow was assumed to be represented by part-channels of varying width. The basic equations are the equation of continuity and the ...
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 ...
A method has been developed for calibration of CT-numbers to volumetric electron density distributions using tissue substitutes of known elemental composition and experimentally determined electron density. This information have been used in a dose calculationmethod based on photon and electron interaction processes. The method utilizes a convolution integral between the photon fluence matrix and dose distribution kernels. Inhomogeneous media are accounted for using the theorems of Fano and O'Connor for scaling dose distribution kernels in proportion to electron density. For clinical application of a calculated dose plan, a method for prediction of accelerator output have been developed. The methods gives the number of monitor units that has to be given to obtain a certain absorbed dose to a point inside an irregular, inhomogeneous object. ...
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 ...
This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 ...
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.
A method has been developed to predict the effects of mutations in the p53 cancer suppressor gene. The new method uses novel parameters combined with previously established parameters. The most important...Full Text Available
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 ...
New methods have been established to enhance the ozone production of the surface discharge arrangement. One method sets the discharge electrode a short distance away from the surface of the dielectric material, whilst another uses a special power supply system resulting in a superimposed discharge. According to the experiments, significant differences have been found in the ozone production capacity of the different arrangements. The characteristics of the electric field distribution of the designs have been calculated using the finite element method for the potential; and the Donor-Cell method for the space charge calculation, and the results have been analysed. A method of analysis has been established for the calculated field characteristics, which provides two index numbers. The reasons are highlighted for the ...
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...
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.
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.
A new method for determining the energy gap of a superconductor using the maximum in the differential conductance curve of electron tunneling spectrum is given in this paper. The V/sub max//kT versus ..delta../kT curve was calculated from tunneling theory. V/sub max/, the voltage of the conductance maximum, can be measured from electron tunneling spectrum. ..delta../kT can be found from this curve, then the energy gap ..delta.. can be calculated. This method is simple, fast and accurate. The accuracy almost approaches that of the curve fitting method.
Wind power is a maturing technology that in a number of countries is likely to contribute a major share to fully renewable energy systems. Denmark has a comparably long history of wind power development and is planning to continue expanding the existing capacity. If a large-scale penetration of wind power is to be achieved, an integrated framework is needed that can respond to the associated challenges. This paper argues for adopting an integrated macro perspective when evaluating and building frameworks to support wind power development. This macro perspective is applied to the case of Denmark, and more specifically to concrete wind power projects in the region of Northern Jutland. The results suggest although certain elements in the legislation have been improved, the feasibility of wind power projects cannot be guaranteed, and there is a tendency to exclude smaller turbines from the development.
The ventilation requirements for decontamination are normally determined with a static calculationmethod. 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 ...
IMRT optimization requires a fast yet relatively accurate algorithm to calculate the iteration dose with small memory demand. In this paper, we present a dose calculation algorithm that approaches these goals. By decomposing the infinitesimal pencil beam (IPB) kernel into the central axis (CAX) component and lateral spread function (LSF) and taking the beam's eye view (BEV), we established a non-voxel and non-beamlet-based dose calculation formula. Both LSF and CAX are determined by a commissioning procedure using the collapsed-cone convolution/superposition (CCCS) method as the standard dose engine. The proposed dose calculation involves a 2D convolution of a fluence map with LSF followed by ray tracing based on the CAX lookup table with radiological distance and divergence correction, resulting in complexity of O(N"3) both spatially and temporally. This simple algorithm is orders ...
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.
A new method for analysis and design of smoothing reactances utilising two-dimensional planar models is presented in this paper. Inductance and magnetic flux density are calculated, and their results compared with those measured experimentally. The results obtained are good if compared with those measured once the machine have been built. Moreover, the method herein developed is applied to the calculation of air gap lengths in terms of the desired current and inductance. The kind of reactances studied presents windings in both limbs and air gaps in the four corners (joint of limbs and yokes). The main contribution of this paper is the presentation of a method of industrial application, to be easily developed, with a very important reduction in the time of machine calculation (due to the decrease in the number of nodes and elements compared with the ...
A major deficiency of current photon calculationmethods 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 calculationmethods. 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 ...
We calculated the energies of asymmetric nuclear matter at zero and finite temperatures with the cluster variational method. At zero temperature, the expectation value of the two-body Hamiltonian composed of the kinetic energies and the AV18 two-body forces is calculated with the Jastrow wave function in the two-body cluster approximation. The obtained two-body energy is in good agreement with the result with the Fermi Hypernetted Chain (FHNC) calculation by Akmal et al. The energy caused by the UIX three-body forces is treated somewhat phenomenologically so that the total energy reproduces the empirical saturation point. Furthermore, the parameters included in the three-body energy are readjusted so that the Thomas-Fermi (TF) calculations with use of the obtained energy of nuclear matter reproduce the gross feature of the experimental data on atomic nuclei. The nuclear species in ...
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 ...
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 ...
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 calculationmethod 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)
A method is presented for calculating the thermal stability of blast furnace coke over a wide range of sizes, based on a study of the coke behaviour pattern in the blast furnace and the change in its thermo-elastic properties during reheating. Using as an example a Novolipetsk metallurgical plant, the possibility was demonstrated of using the thermal stability index calculated by the proposed method for an unambiguous assessment of the quality of blast furnace coke.
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.
The Monte Carlo simulation method is applied to calculate the nucleon transfer part of the imaginary optical-model potential in colliding heavy ions. In the process of transfer of nucleons from one nucleus to the other, forward and backward neutrons and protons are treated separately by taking into consideration the effect of the Coulomb forces and the potential energy surfaces (driving forces). The Pauli exclusion principle is also incorporated properly in the calculation.
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.
Developed is a simple method alloing one to determine the k-loop coefficient of #beta# function in gauge theories provided the operator expansion is constructed in (k-1) loop for certain two-point functions. The calculation of the two-loop coefficient of the Gell-Mann-Low function becomes trival - it reduces to a few algebraic operations with expressions which are already known. As an example spinor, scalar and supersymmetric electrodynamics are considered. Although the corresponding results for #beta#"("2") are known in the literature, both the method of the calculations and some points referring to the construction of the operator expansion are novel.
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/.
A calculationmethod of the X-ray radiation dose (energy of gamma- radiation remains in the range of energies where the mechanism of photoelectric absorption is the prevailing one) absorbed in the absorbers of final thickness is suggested. Calculations of resorption of secondary radiation (characteristic fluorescences) in the substance and kinetic energy of photoelectrons caused by this resorption (it would be enough to consider one or two hard series) are presented. Calculation of the spectrum of photoelectron energy yield in TeInSe_2 monocrystal for 0.1-0.5 A range of X-ray radiation is conducted by the developed methods.
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.
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.
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.
The results of a study conducted by Working Group 10 of the AGARD Fluid Dynamics Panel to investigate the limits of boundary layer methods, both the integral and field type formulations, for calculating three-dimensional turbulent separated flow are presented. Test cases used to assess the boundary layer calculations included the DFLVR prolate spheroid at angle of attack and the NASA-Ames Wing C. Comparisons between boundary layer calculations and experimental data are presented for these test cases along with observations, conclusions, and recommendations.
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.)
This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.
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.
Monte Carlo criticality calculations have been performed for over 50 years for reactor physics and criticality safety applications. With today's faster computers, these calculations are being carried out to greater precision (smaller uncertainties) in keff, and detailed distributions of power and reaction rates are being computed routinely. This paper provides a review of the fundamental theory of Monte Carlo criticality calculations, with guidance on practical methods for: (1) assuring convergence of both keff and the source distribution, (2) minimizing the bias in keff and reaction rate distributions, and (3) dealing with the under-prediction bias in uncertainties for keff and reaction rate distributions. (authors)
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).
Pyrheliometric methods are described (particularly methods for measuring the solar constant), and theoretical and experimental studies in this field are surveyed and systematized. Particular attention is given to the analysis of instruments intended for pyrheliometers used as standards, reference instruments, and solar-constant meters is examined, and consideration is given to methods for determining the thermal-radiation properties of absorbing coatings and methods for calculating the absorption coefficients of cavity receivers.
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.)
Thermoluminescence (TL) properties of sphene and epidote are of interest in studies related to their radiation damage. Natural and artificially induced TL of these minerals has, therefore, been investigated. Both minerals exhibit complex glow curves with several overlapping peaks. The Tsub(m) -Tsub(STOP) thermal cleaning procedure has revealed three peaks in the ..gamma.. ray induced glow curve of each mineral. That these peaks obey second order kinetics was indicated by the continuously slanting structure of the Tsub(m)-Tsub(STOP) curve. The TL parameters E and s have been calculated using (i) the initial rise method, and (ii) the glow-peak shape method. In general, the values of E calculated by the first method are found to be higher than those from the second. The TL curve-fitting method is also applied in order to calculate these ...
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.
The Danish Ministry of Transportation has prepared a national plan of transportation, for the years until 2005. Official policy concerning land, maritime and air transport, personal and cargo transportation, investments and expenditures is outlined. Environmental impacts of energy consumption and air pollution abatement measures are considered. (EG)
The Danish Energy Agency has prepared a report on the Danish geothermal resources and their contribution to the national energy potential.Environmental and socio-economic consequences of geothermal power systems implementation are reviewed. Organizational models and financing of geothermal-seismic research are discussed, and the Committee of the Energy Agency for Geothermal Energy recommends financing of a pilot plant as well as a prompt elucidation of concession/licensing problems. (EG).
Fragrance mix II (FM II) is a relatively new screening marker for fragrance contact allergy. It was introduced in the patch test baseline series in Denmark in 2005 and contains six different fragrance chemicals commonly present in cosmetic products and which are known allergens.
Whooper swans habitat in the coastal regions of Denmark can be affected by wind turbine arrays on the coast. The planned array consists of 55 wind turbines very close to the swan breeding area. A possibility of moving the swans away from the windmill area would be to spread the preferred swan feeds (rape, potatoes) outside their present breeding ground. (EG) 14 refs.
In connection with the ERP project 'Dynamic modelling of staged gasification processes' a gasification simulator has been constructed. The simulator consists of: a mathematical model of the gasification process developed at Technical University of Denmark, a user interface programme, IGSS, and a communication interface between the two programmes. (BA)
This work provides an overview of existing plants in Europe and describes the substrates being used. It focuses on the individual farm-scale and community plants, as these are the two main types now being built. It also describes plants currently under construction, especially in Germany and Denmark, where the major efforts are focused. A description of how the technique has developed over the past few years, its current state of development, the motivation and economic balance, and the substrate characteristics, is presented.
The improvement in the functions of the viscous flow calculationmethod VEGA-SHIP around a ship and the expansion of application range were described as the numerical flow simulation in ship and ocean engineering and at the same time application examples to the ocean engineering by the general-purpose flow simulation code FLOW-3D handling the non-steady flow with a free surface were introduced as the numerical simulation regarding such products as a water gate and a dam. In the VEGA-SHIP, water surface was handled as a fixed wall so that wave could not be calculated. Therefore, an algorithm for calculating wave on the water surface was added to the VEGA-SHIP and a calculationmethod simultaneously considering the creation of wave around the ship and viscosity was developed. The FLOW-3D was used to calculate the phenomenon where inside liquid ...
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 ...
We study the duality of N=1 gauge theories in the presence of a massless adjoint field. We calculate the superpotential using the factorization method and compare with the result obtained by applying Kutasov duality. The latter result is just the leading term of the former, indicating that Kutasov duality is exact only in the IR limit as claimed in the original literature. We also study various checks for the equivalence of the calculationalmethods developed recently: factorization methods, diagrammatic expansion, loop equations, integrating fluxes.
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.
The Porous media approach method was applied to the MULTID component of MARS which was developed by KAERI. This method has been widely used for analysis of large regions containing only fluid and for flows in regions with immersed solids. It can calculate flow distribution more correctly in case of flow area or volume change. Application of this method to the MULTID component in MARS was evaluated and the results were compared with those of CFD code, FLUENT. As a result, the calculated flow distributions of MARS and FLUENT show similar trend, so the effect of porous media in MARS can be applied to the other cases.
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 ...
Using electromatic field theory, a new method is developed for calculating alternating current in power cables installed in pipes of carbon steel (magnetic pipes). The technique for evaluating these losses is based on the method of images which replaces complicated distribution of currents in the system with a sequence of thin conductors. The method not only gives a mathematical framework for the solution of alternating current losses, but it also gives the underlying physical picture of effects contributing to these losses. Skin effect, proximity effect and losses due to the pipe are calculated separately. For the first time, the increase of losses in the conductors, when the cables are placed in a magetic pipe, are analyzed mathematically. Good agreement is obtained between the result of calculations and the experimentally determined ac-dc resistance ratios ...
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)
A theoretical study of electron and positron band structures of zinc-blende AlN and InN and their alloy Al_0_._5In_0_._5N is presented using the first-principles full-potential linearized augmented plane-wave method. Equilibrium lattices constants are determined from the total-energy minimization method. The results are compared with previous calculations and with experimental measurement. Electron and positron charge densities are computed as function of position in the unit cell. Detailed plots of distributions are along the direction. The ionicity factors are calculated by means of three different approaches. The calculated results of the positron charge density reflect the high insight for the annihilation effect.
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, ...
The renewed interest for using wind energy commercially is not more than twenty-five years old. From an experimental stage of turning wind energy into electricity in the 1970s, a new industry for producing standardised windmills gained foothold in the beginning of the 1980s and since then it has developed rapidly through the 1980s and the 1990s. The Danish innovators of the new windmill technology have been the pioneers behind this development, and Denmark has succeeded in acquiring a first mover advantage on the world market. This position has been maintained and at present Denmark satisfies more than half of the world market's demand for windmills. There are at least two reasons for this pioneering position of the Danish windmill industry. First, Denmark is by nature very `abundant' in wind energy due to its geographical position at the nexus between the Gulf Stream and the European continent. The windy ...
The renewed interest for using wind energy commercially is not more than twenty-five years old. From an experimental stage of turning wind energy into electricity in the 1970s, a new industry for producing standardised windmills gained foothold in the beginning of the 1980s and since then it has developed rapidly through the 1980s and the 1990s. The Danish innovators of the new windmill technology have been the pioneers behind this development, and Denmark has succeeded in acquiring a first mover advantage on the world market. This position has been maintained and at present Denmark satisfies more than half of the world market's demand for windmills. There are at least two reasons for this pioneering position of the Danish windmill industry. First, Denmark is by nature very 'abundant' in wind energy due to its geographical position at the nexus between the Gulf Stream and the European continent. The windy climate makes ...
Discussed in this report is a wavefield simulation in the 3-dimensional seismic survey. With the level of the object of exploration growing deeper and the object more complicated in structure, the survey method is now turning 3-dimensional. There are several modelling methods for numerical calculation of 3-dimensional wavefields, such as the difference method, pseudospectral method, and the like, all of which demand an exorbitantly large memory and long calculation time, and are costly. Such methods have of late become feasible, however, thanks to the advent of the parallel computer. As compared with the difference method, the pseudospectral method requires a smaller computer memory and shorter computation time, and is more flexible in accepting models. It outputs the result in fullwave just like the ...
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 ...
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 ...
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. ...
Solar cavity receiver plays a dominant role in the light-heat conversion. Its performance can directly affect the efficiency of the whole power generation system. A combined calculationmethod for evaluating the thermal performance of the solar cavity receiver is raised in this paper. This method couples the Monte-Carlo method, the correlations of the flow boiling heat transfer, and the calculation of air flow field. And this method can ultimately figure out the surface heat flux inside the cavity, the wall temperature of the boiling tubes, and the heat loss of the solar receiver with an iterative solution. With this method, the thermal performance of a solar cavity receiver, a saturated steam receiver, is simulated under different wind environments. The highest wall temperature of the boi...
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.
Dictionary lookup methods are popular in dealing with ambiguous letters which were not recognized by Optical Character Readers. However, a robust dictionary lookup method can be complex as apriori probability calculation or a large dictionary size increases the overhead and the cost of searching. In this context, Levenshtein distance is a simple metric which can be an effective string approximation tool. After observing the effectiveness of this method, an improvement has been made to this method by grouping some similar looking alphabets and reducing the weighted difference among members of the same group. The results showed marked improvement over the traditional Levenshtein distance technique.
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).
The article explains the method of selecting the optimum energy for correcting the energy selectivity of tomographic projection and the optimum length of the crystals corresponding to it when the dual energy method in computerized tomography is used. Results of numerical calculations for actual materials and count results are presented.
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.
Subcritical experiments using californium source-driven noise analysis (CSDNA) and Feynman variance-to-mean methods were performed with an alpha-phase plutonium sphere reflected by nickel shells, up to a maximum thickness of 7.62 cm. Both methods provide means of determining the subcritical multiplication of a system containing nuclear material. A benchmark analysis of the experiments was performed for inclusion in the 2010 edition of the International Handbook of Evaluated Criticality Safety Benchmark Experiments. Benchmark models have been developed that represent these subcritical experiments. An analysis of the computed eigenvalues and the uncertainty in the experiment and methods was performed. The eigenvalues computed using the CSDNA method were very close to those calculated using MCNP5; however, computed eigenvalues are used in the analysis of the CSDNA ...
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.
A scalar-relativistic procedure for calculating the valence-electron contribution to the total energy of bulk and thin-film solids has been developed and applied to the fcc and bcc phases of the group-VIB transition elements Cr, Mo, and W. This approach, which is based on the linear augmented-plane-wave method and local-density-functional theory, contains no shape approximations for either the charge density or potential. The formulation adopts a rigid-core approximation and incorporates an exact treatment of the core-charge tails that extend beyond the muffin-tin spheres. The application of this procedure to bcc Cr, Mo, and W yields calculated lattice parameters and bulk moduli that are in good (Cr) to excellent (Mo and W) agreement with experiment. The present calculated properties also agree quite well with the results of previous calculations involving a variety of ...
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 ...
With an objective to detect faults estimated to exist along the Shigesumi valley in the Kamioka mine, discussions were given by using electromagnetic survey, which uses the Turam measurement arrangement based on the TEM method, and three-dimensional model calculations. The Turam measurement arrangement, which installs transmission loop fixedly, is used to identify nature and distribution of electrically conductive objects upon noticing abnormal portions in magnetic fields in the measurement data. In the model calculation, the plate model calculationmethod and the FDTD method were used, and so was the calculation code TEM3DL. The result revealed that strong topographical influence is seen from steep V-shaped valley existing along the traverse line in the measurement data, but an abnormal resistivity band accompanying remarkable distortion in ...
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.
The global effect of activation cross-section uncertainties on calculated radiological quantities is investigated for the first time using a methodology based on Monte Carlo random sampling. The method is applied to the calculation of the uncertainty in the contact dose rate from the gunite shielding of the National Ignition Facility chamber after 30 yr of pulsed irradiation. Some critical cross section contributing significantly to the overall uncertainty are identified. By a reasonable reduction of the uncertainty in those cross sections, the accuracy in the calculated total contact dose rate is greatly improved.
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.).
Deformation of the ground can be considered as a sum of volume deformation and shear deformation. At circumferential ground of pile axis, simple shear type of shear deformation becomes main factor of settlement. As shear forces with reverse direction are overlapped at parallel face for pile around face of the ground between the piles, the shear deformation is relaxed. At deeper place from top of the pile, volume deformation becomes larger and component of shear deformation approaches to a pure shear type. In case of the land surface loading type consolidation settlement calculation, a method adopting one dimensional consolidation calculatingmethod using only vertical component within stress obtained by elasticity theory even when investigating multi dimensionally is used widely. In Japanese design standards, the methodcalculating the consolidation settlement ...
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.
A method for the calculation of excitation functions and isomer ratios, for shape isomers, in heavy ion induced reactions is proposed. The calculated values of excitation functions and isomer ratios agree very well with the experimental values for the reaction /sup 238/U(/sup 11/B, alpha 3n)/sup 242/Am. (auth)
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.)
The nuclear shapes of transitional Mo isotopes are calculated by means of a model based on the cranking approximation and the Strutinksy method. The recent experimental results of the high-spin spectroscopy and lifetime measurement of "8"7Mo are studied in detail and explained by the evolution of the #gamma#-deformation with the quasiparticle configurations. The shape calculations with the modified-harmonic-oscillator potential give a critical neutron number N #>=# 47 for the spherical shape of the Mo isotopes. (orig.).
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.
To determine the transient response of linear and time-invariant transmission systems which are only described for discret frequencies, it is possible to find a good functional approximation by means of the generalized impulse method, combined with the most important natural spline-interpolation functions of the first and the third degree. This procedure has been applied to calculate the step response of the transient behaviour of the zero-sequence impedance system of the high voltage transmission line.
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.
With the help of the symmetry at the P point, we have determined the relations between the force constants and the moduli of elasticity for A-15 compounds. Based on these relations, a semi-experimental method for the study of the lattice dynamic behaviors of A-15 compounds is developed. Numerical calculations of the phonon spectrum of Nb/sub 3/Sn and its temperature dependence have been made, and they are in good agreement with the experimental data.
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.
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.
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.
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.
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.
We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.
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.).
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.
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
Probabilities of flucton production have been calculated for the 1p-shell nuclei and its modification by the Yastrov method. The results obtained are in a qualitative agreement with the data resulting from the analysis of experiment in an assumption of a flucton mechanism of proton-nuclear inclusive reactions with the production of cumulative particles.
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 ...
The authors shortly describe some basic aspects relating to probabilistic reliability calculation and to the derivation of component reliability data. (GL)
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.
The Feynmann and other fluctuation techniques have been shown to be useful for determining the multiplication of subcritical systems. The moments of the counting distribution from neutron detectors is analyzed to yield the multiplication value. We present the methodology and some selected applications and results and comparisons with Monte Carlo calculations.
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.
The proton momentum distributions of (39)K,(40)Ca and (48)Ca are calculated from the model-independent charge distributions obtained from analyses of electron elastic scattering and muonic atoms, and also from the charge distributions calculated from the single-particle potential method in the framework of the flucton model. The sensitivities of the momentum distribution to different regions of the charge distribution are determined. The analysis is extended to the neutron distributions using the single-particle potential method, and the differences between the proton and neutron momentum distributions are examined. The resulting momentum distribution in the case of (40)Ca is used for analyzing the quasielastic electron scattering.
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).
A computer code based on Nodal expansion method has been developed for solving two groups three dimensional diffusion equation. This code can be used for fuel management and time average core calculation. Explicit Xenon and fuel temperature estimation are also incorporated in this code. TAPP-4 phase-B physics experimental results were analyzed using this code and a code based on FD method. This paper gives the comparison of the observed data and the results obtained with this code and FD code. (author)
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 ...
The formation mechanism of the cold-rolled strip shape with high tension was studied. An advanced method to calculate the allowable variation of strip transverse profiles was established by the strip buckling criterion, which can be more properly used in cold rolling. With this method, the aim allowable variation of the product strip transverse profile and the required transverse profile range of incoming strips can be reached. Besides, this method has been successfully applied in a domestic tandem cold mill, and the transverse profile range of incoming strips suggested with this method is more practicable and complete. Consequently, the good performance is acquired.
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 ...
Presented here is the calculation results of tidal field of Daya Bay by using pseudospectral method. According to the calculation results about the tidal field and measured value of wind in Daya Bay area, the diffusion of radionuclide from Daya Bay Nuclear Power Plant is simulated by using particle random walk model. The simulation results about the relative concentration distribution of the radionuclides and the trajectory of the distribution centrode are obtained, taking account of tidal current, wind and turbulent current. These results can provide information not only for the reasonable discharge of the radionuclides from Daya Bay Nuclear Power Plant, but also for understanding the potential effect on environment due to the normal operation of Daya Bay Nuclear Power Plant. (authors)
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.
Cluster calculations of the electronic structure and charge distribution in V_3Si have been performed using two different molecular orbital methods: a semiempirical LCAO and the MS X#alpha# model. The results are compared with X-ray emission spectra and band structure calculations. An analysis of the calculated electronic distribution reveals a charge transfer from Si-atoms to V-atoms, the additional charge on a V-atom being 0.6e (LCAO) and 0.4e (MS X#alpha# method). The results are in good agreement with experiment, which indicates that the cluster approach is adequate for the description of charge distributions and spectra characteristics of the A-15 compounds. (author).
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.
Using the complex Kohn method, we have calculated variational values of phase shifts and the annihilation parameter, Z_{eff}, for the elastic scattering of positrons by molecular hydrogen. Our results are sensitive to small changes in the accuracy of the wave function representing the target hydrogen molecule. We have developed a systematic approach to demonstrate that, at low positron energies, there are particular forms of the Kohn trial wave function for which the results of variational calculations are not reliable, even when the target wave function accounts for as much as 96.8% of the correlation energy of H_{2}. We find that reliable results can be recovered if our calculations are extended to admit more sophisticated target wave functions accounting for 99.7% of the correlation energy. Remaining discrepancies between theory and experiment are briefly discussed.
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 ...
The aim of this work was to compare dose calculation algorithm results at orthovoltage energies for a phantom composed of a bone slab in water. The calculationmethods investigated were: no correction, ETAR, Batho, convolution/superposition and Monte Carlo. All algorithms calculated depth dose curves in a water phantom within 4% of experiment. However in the bone phantom, differences of over 40% between the No Correction / ETAR / Batho / Convolution and Monte Carlo results in the 1 cm thick bone slab were observed. These differences are predominantly because the algorithms do not account for the differing atomic number of the bone compared to water The increased dose to bone and the tissue adjacent to the bone interface should be considered when treating with orthovoltage photons. Copyright (1998) Australasian Physical and Engineering Sciences in Medicine
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 ...
At present, two types of reactors, Pressurized Light Water Reactor(PLWR) and Pressurized Heavy Water Reactor(PHWR), are operating and under construction in Korea. They are much different in design concepts and inherent features from each other so that the calculationmethods for Exclusion Area Boundary(EAB) are also different from each other. Thus, the domestic calculation methodology has been applied to PHWR, Wolsung 2, 3 and 4. In this report, the regulatory requirements and methodologies for EAB of Canadian methodology for EAB has been also investigated. It has been examined that the Canadian methodology which has been applied to the calculation of EAB of Wolsung 2, 3 and 4 can be said to be conservative enough compared to physical phenomena. 4 tabs., 3 figs., 22 refs. (Author).
During the past 15 years, 60 straw-fuelled and 25 wood-fuelled district heating stations were commissioned in Denmark, as well as 6 biomass-fuelled heating power stations. All of these plants are equipped with high-pressure boilers, heat exchangers for district heating, and steam turbines with generators. Today, 5 percent of the total energy consumed is provided by biomass fuels. With the new taxes on carbon dioxide emissions and measures to promote renewable energy sources, a 15 percent share can be expected soon. (orig/SR) [Deutsch] In Daenemark wurden in den letzten 15 Jahren 60 strohbefeuerte und 25 holzbefeuerte Fernwaermewerke in Betrieb genommen. Dazu sind in den letzten Jahren 6 biomassebefeuerte Heizkraftwerke gekommen. Alle Anlagen haben Hochdruckkessel, Waermetauscher fuer Fernwaerme und Dampfturbinen mit Generatoren. Heute werden in Daenemark 15 Prozent des Energieverbrauchs mit Biomasse gedeckt. Durch Besteuerung der Kohlendioxidabgabe und Foerderung ...
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 calculationalmethods 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 ...
For the Convolution, Superposition and Monte Carlo methods, energy spectrum data is an essential parameter. Especially, by using Monte Carlo method, if the adequate properties of electrons are set, complex energy spectrum data can be calculated by simple input. However, adjustment of the property of electrons incident on the target of linear accelerator is time-consuming procedure. To cover the difference of many accelerators, it is important how we obtain accurate energy spectrum by simple methods. Especially, the total accuracy of dose calculation depends on the agreement of measured and calculated percentage depth dose (PDD) and off-axis ratio (OAR). Thus, a simple method for the determination of the simulation parameters was considered. To reduce the adjustment procedure, we selected values of important three parameters, which were the ...
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 ...
Energy band diagrams of LaCuOCh (Ch = S, Se and Te) were calculated by a full-potential linearized augmented plane-wave method. The calculations, based on the local density approximation with/without an on-site Coulomb repulsion parameter, were to examine the energy levels of La 4f states. The results of the calculations showed that the on-site correlation parameter is necessary for evaluating the energy levels of La 4f states appropriately. The calculations for LaCuOCh with the on-site correlation parameter revealed that LaCuOS and LaCuOSe have almost the same energy band structure with a direct allowed-type band gap, while LaCuOTe has significantly different conduction band structure that exhibits an indirect-type band gap. This difference in electronic structure between LaCuOCh (Ch = S, Se and Te) is consistent with the observed optical properties of these materials.
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 ...
The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type ...
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.
In this paper, a time-domain equivalent circuit method is applied to solve dispersion of coupled-cavity travelling-wave tube (CCTWT). First, the time-domain circuit equations of CCTWT coupled-cavity chain are deduced from the equivalent circuit model. Then, the equations are solved numerically by fourth-order Runge-Kutta method and a program CTTDCP is developed using MATLAB. Last, a L-band CCTWT is calculated using CTTDCP and the cavity pass-band of this tube is computed to be 1.08-1.48 GHz, which is consistent with the experimental results and the simulation results of electromagnetic code and demonstrates the validity of the time-domain equivalent circuit method. In addition, a new design method which uses the equivalent circuit method and electromagnetic simulation together to optimize the cold cavity characteristics of CCTWT is proposed. (authors)
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.
The background for this paper is a growing interest during the past decade in Denmark in the concepts of ?situated learning?, ?social theory of learning? and ?learning in communities of practice? developed by the American social anthropologist Jean Lave and the Californian Research Scientist Etienne Wenger. The work by Jean Lave from 1988 (Lave, 1988) based on anthropological field studies in Brazil and Liberia as well as later works by Lave & Wenger (Lave and Wenger, 1991; Chaiklin and Lave, 1993; Wenger, 1998; Wenger, McDermott, R. and W. Snyder, 2002) on situated learning and social learning theory have provoked considerable response in anthropological studies, in learning theories as well asin considerations about practical implementation of concepts like ?lifelong learning? in Denmark in recent decades. The European concept of ?lifelong learning? has had a big impact on educational thinking, including teacher education. In addition to ...
The true potential energy curve for the x "1#SIGMA#"+ state of BeO has been calculated using the RKRV method. The dissociation energy of the ground state has been estimated to be 5.15 +- 0.05 eV by the curve-fitting method using the three-parameter potential energy function of Lippincott with an RKRV potential energy curve. (author).
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.).
Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.
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.).
As a part of a phenomenological model, a method for simulating the wall/jet interaction in a direct injection diesel engine is proposed. The method is based on the application of the momentum conservation equation in the different directions in which the wall jet is spread, and takes into account both the interaction with the combustion chamber geometry and with swirl. It takes as initial conditions the results of calculating the free jet, which is divided into packages. The predictions provide good agreement with those by other researchers. (author).
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.
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)
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)
In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when ...
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.)
This paper first introduces the calculatingmethod of radium specific activity to determine the radon emanation rate of tailing of uranium mine No. 794, the method needs two parameters: radon emanation coefficient and radon diffusion coefficient. According to the measured results of parameters and the contrast between radium specific activity of indoor chemical analysis of field sample and field gamma-ray spectra, the authors discuss the variation rules and characteristics of radon emanation coefficient and radon diffusion coefficient, and the best climate and seasons for measuring these parameters in northern China, and finally summarize the characteristics of this method through analyzing measured results. (authors)
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 ...
In the field of reactor and fuel cycle physics, particle transport plays and important role. Neutronic design, operation and evaluation calculations of nuclear system make use of large and powerful computer codes. However, current limitations in terms of computer resources make it necessary to introduce simplifications and approximations in order to keep calculation time and cost within reasonable limits. Two different types of methods are available in these codes. The first one is the deterministic method, which is applicable in most practical cases but requires approximations. The other method is the Monte Carlo method, which does not make these approximations but which generally requires exceedingly long running times. The main motivation of this work is to investigate the possibility of a combined use of the two methods in such a way as ...
Convolution/superposition (C/S) is regarded as the standard dose calculationmethod 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 ...
This paper proposes a high accuracy numerical method to model oil spill trajectories using a particle-tracking algorithm. The Euler method, used to calculate oil trajectories, can give adequate solutions in most open ocean applications. However, this method may not predict accurate particle trajectories in certain highly non-uniform velocity fields near coastal zones or in river problems. Simple numerical experiments show that the Euler method may also introduce artificial numerical dispersion that could lead to overestimation of spill areas. This article proposes a fourth-order Runge-Kutta method with fourth-order velocity interpolation to calculate oil trajectories that minimise these problems. The algorithm is implemented in the OilTrack model to predict oil trajectories following the 'Nissos Amorgos' oil spill accident ...
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 ...
Cross sections for some electro- and photoinduced spallation reactions on {sup 27}Al and {sup 51}V are measured in the energy region 130 MeV to 580 MeV with the activation method. Comparisons are made with calculations based on the Dalitz formalism for virtual photon spectra, and Monte Carlo calculations based on a cascade evaporation model, respectively. By use of Bremsstrahlung with end-point energies from threshold to 750 MeV, the yields for photo- production of{pi}{sup -}leading to ground and isomeric states in {sup 197}Hg are measured with the activation method. The activity from the Hg-isotopes were measured after a chemical separation of Hg from the target material. The yields and isomeric ratios are compared with impulse approximation calculations. For the photoproduction of {sup 195m}Hg and {sup 192}Hg from {sup 197}Au, the yields were measured. The experimental mean cross ...
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 calculationmethod 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 ...
A method, which estimates the lightning performance of high voltage transmission lines based on the Monte-Carlo simulation technique, is described in this paper. The average number of faults which occur in a transmission line, dividing them in single-phase and three-phase faults, as well as the average grounding resistances of the transmission lines are calculated. The method is applied, on several operating Greek transmission lines, showing good correlation between predicted and field observation results. The proposed method can be used as a useful tool in the design of electric power systems, aiding in the right insulation dimensioning of a transmission line.(author)
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.
The method of syndrome coding for data compression read out from multiwire proportional chambers that has been previously proposed is generalized in case of its application to registration of the coordinates of events detected. The questions of execution of arithmetic and algebraic operations on the Galois field elements and their hardware implementation are considered. The method of computation is presented of a specialized processor for parallel computing the coordinates of three sparks. The estimate of its speed is equal to 185 ns. Data compression, data selection and coordinate calculations are performed without use of memory elements and timing pulses.
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
The convolution/superposition calculations for radiotherapy dose distributions are traditionally performed by convolving polyenergetic energy deposition kernels with TERMA (total energy released per unit mass) precomputed in each voxel of the irradiated phantom. We propose an alternative method in which the TERMA calculation is replaced by random sampling of photon energy, direction and interaction point. Then, a direction is randomly sampled from the angular distribution of the monoenergetic kernel corresponding to the photon energy. The kernel ray is propagated across the phantom, and energy is deposited in each voxel traversed. An important advantage of the explicit sampling of energy is that spectral changes with depth are automatically accounted for. No spectral or kernel hardening corrections are needed. Furthermore, the continuous sampling of photon direction allows us to model sharp changes in fluence, such as those ...
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. ...
The space derivation term of a wave equation is accurately calculated using Fourier transform method, and the wave equation only relating to time derivative in time-space domain is derived. Solving this equation with the aid of central difference method brings the numerical recursion formula for forward modeling or reverse time migration of seismic wave field in the medium in which seismic velocity varies. The key to this method lies in introducing two auxiliary wave fields relating to velocity and spacial frequency of Fourier transform respectively after multi-dimensional Fourier transform respectively after multi-dimensional Fourier transform of space vector is made. Theoretically, this method is suitable to the forward modeling and migration of seismic wave field in complex area where seismic velocity and structure shape vary arbitrarily. Theoretical results proved this ...
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...
The advent of carbon nanotubes, which are graphite layers convoluted in cylinders several nanometers in diameter and several micrometers in length, as well as the experiments on implanting metal atoms in such tubes open the way to producing nanoconductors and other materials with unique properties. For theorists, the basic challenge is interpreting and predicting the structure and properties of these systems. The linearized augmented-plane-wave method (LAPW) is one of the most accurate methods in the theory of the electronic structure of solids. A generalization of this method for quasi-two-dimensional systems, surface electronic states, and layered crystals is known. The LAPW theory for quasi-unidimensional systems, which exhibit translational symmetry in one direction, has been absent thus far. In this paper, the authors suggest a version of such a theory and use this method to ...
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...
This report is the user's manual of seismic system reliability analysis code SECOM2 (Seismic Core Melt Frequency Evaluation Code Ver.2) developed at the Japan Atomic Energy Research Institute for systems reliability analysis, which is one of the tasks of seismic probabilistic safety assessment (PSA) of nuclear power plants (NPPs). The SECOM2 code has many functions such as: Calculation of component failure probabilities based on the response factor method, Extraction of minimal cut sets (MCSs), Calculation of conditional system failure probabilities for given seismic motion levels at the site of an NPP, Calculation of accident sequence frequencies and the core damage frequency (CDF) with use of the seismic hazard curve, Importance analysis using various indicators, Uncertainty analysis, Calculation of the CDF taking into account the effect of the correlations of responses and ...
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 ...
The band structure (BS) of crystalline Bi_2Se_2Te both pure as well as deposited on Si or SiO_2 (substrates) was calculated for the first time. The calculation approach consists of an orthogonalization of the plane wave basis set with respect to the core-like orbitals and the application of the Perdew-Alder exchange-correlation scheme. In addition, a virtual crystal approach was applied. Experimental ellipsometric spectra were used as a criterion of the advantages of the different calculation techniques. The results of traditional one-electron methods of BS calculations, using norm-conserving pseudo-potential (NCPP), and full linear augmented plane wave (FLAPW), were compared with the experimental data. Better agreement with experiment is achieved when the NCPP wave functions are orthogonalized to the 4dBi core-like states. Concerning the LMTO and the FLAPW all-electron ...
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 ...
Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.
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.
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.
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).
Muonic-atom energy levels and wave functions are calculated. The results are corrected for nearly all important static effects, including finite nuclear size as produced by a user-specified nuclear charge distribution. Fourth-order Runge-Kutta integration of the radial Dirac equations, with the secant method determining the eigenvalues. Corrections are either included as potentials in the Dirac equations or computed as first-order perturbations. The code assumes spherical symmetry, so that effects of nuclear deformation may be treated only as static first-order perturbations. Dynamic muon-electron and muon-nuclear effects are neglected (the latter are calculated by RURP). (Auth.).
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.
The diffusion coefficient of particles in radioactive gases has been calculated with account of random wandering of aerosols (occurrence of local fields affecting the particles; recoils accompanying radiation emitted by particles, etc.). To determine the diffusion coefficient, the method of Fokker-Planck equation derivation was used. A formula is presented for calculating the radiation-stimulated diffusion coefficient. A linear growth of the diffusion coefficient with radioactivity is noted according to the formula, the diffusion coefficient is mainly determined by the field in the radiation damage region. The aerosol radioactivity may result in a more rapid deposition of aerosols in the pipelines and aerosol purification systems. The diffusion rate grows not only in the presence of intrinsic radioactivity but in case of external radiation exposure as well.
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.
A theoretical study of structural and electronic properties of GeC, SnC and GeSn is presented using the full potential linearized augmented plane wave method. In this approach, the generalized gradient approximation was used for the exchange-correlation potential. Results are given for lattice constant, bulk modulus and its pressure derivative in both zinc-blende and rocksalt structures. Band structure, density of states and band gap pressure coefficients in zinc-blende structure are also given. The results are compared with previous calculations and with experimental measurements.
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.
Band-structure studies of NbN and VN are reported. The results of angle-resolved photoemission experiments performed on NbN/sub 0.93/ and VN/sub 0.89/ are presented. The bulk-band structures calculated for stoichiometric NbN and VN using the linearized augmented-plane-wave method are presented and utilized in the interpretation of the experimental spectra. It is shown that most of the features in the spectra can be accounted for by direct bulk-band transitions. A fairly good agreement between experimental and calculated band locations and dispersions is obtained.
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).
Ab initio total-energy calculations, based on the exact muffin-tin orbital method, are used to determine the elastic properties of Pd1-xAgx random alloys in the face-centered-cubic crystallographic phase. The compositional disorder is treated within the coherent-potential approximation. The single crystal and polycrystalline elastic constants and the Debye temperature are calculated for the whole range of concentration, 0?x?1. It is shown that the variation in the elastic parameters of Pd-Ag alloys with chemical composition strongly deviates from a simple linear or parabolic trend. The complex electronic origin of these anomalies is demonstrated.
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.
The possibility of Pt-Cr surface alloys formation on Pt(0 0 1) was investigated and their magnetism was calculated by the full-potential linearized augmented plane wave (FLAPW) method with eight different atomic configurations. The most stable structure was calculated to be the Pt-segregated L1_2 ferromagnetic surface alloy. A_3B types (L1_2 or D0_2_2) were more stable compared to AB types (L1_0). It implies that the A_3B type surface alloys may be formed when depositing a monolayer of Cr on Pt(0 0 1). It was found from the total energy calculations that there exists a strong tendency of the Pt segregation. The segregation further stabilizes the surface alloy significantly. The work function of the most stable surface alloy was calculated to be 6.02 eV and the magnetic moment of the surface Cr was much enhanced to 3.3 #mu# _B. It is a quite interesting finding that the coupling ...
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 ...
While there have been many experimental and calculational investigations on absorbed dose distribution in the patient resulting from conventional X-ray procedures, such data for computerized tomography (CT) are still sparse. As this diagnostic procedure has shown a rapid increase in application during recent years, we have determined absorbed dose to body organs in a human phantom resulting from CT examinations. The exposure model consists of the heterogeneous MIRD-5 phantom and a suitable Monte-Carlo method to calculate absorbed dose to organs of interest. The exposure conditions are specified according to the exposure specifications of a CT-scanner currently in use. The calculations cover the range of body tissues of interest in terms of organ absorbed doses as well as a risk weighted absorbed dose. A detailed example showing the calculation of red bone marrow dose is given and a ...
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 ...
This paper describes the calculationmethod of 3-D underground structures in TDME method which measures only field components. Recently, FDTD method was developed as calculationmethod in time domain difference calculus, and the forward analysis accuracy of 3-D fields was rapidly improved. The survey results using a large-scale loop (600m{times}360m) were numerically analyzed by FDTD method. 16 measuring lines were prepared in both X and Y directions, and measuring points were prepared on intersection points of the measuring lines. Since signal current is staircase one, step and impulse responses of the ground were determined by calculating magnetic field and its time differentiation. The rectangular body (120m{times}120m{times}100m) of 0.2S/m in conductivity (5 ohm m in resistivity) was installed 160m under the ground ...
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 ...
Infinite loop space theory, both additive and multiplicative, arose largely from two basic motivations. One was to solve calculational questions in geometric topology. The other was to better understand algebraic K-theory. The Adams conjecture is intrinsic to the first motivation, and Quillen's proof of that led directly to his original, calculationally accessible, definition of algebraic K-theory. In turn, the infinite loop understanding of algebraic K-theory feeds back into the calculational questions in geometric topology. For example, use of infinite loop space theory leads to a method for determining the characteristic classes for topological bundles (at odd primes) in terms of the cohomology of finite groups. We explain just a little about how all that works, focusing on the central role played by E infinity ring spaces.
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...
We consider the electron-positron pair creation by a photon in an external constant electric field. The presented treatment is based on a purely quasiclassical calculation of the imaginary part of the on-shell photon polarization operator. By using this approach we find the pair production rate for photons with polarization parallel as well as orthogonal to the external electric field in the leading order in the parameter eE/m"2, which has been recently found by other methods. For the orthogonal polarization we also find a new contribution to the rate, which is leading in the ratio of the photon energy to the electron mass #omega#/m. We also reproduce by a purely geometrical calculation the exponential factor in the probability of the stimulated pair creation at arbitrary energy of the photon.
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.
Recently, we showed (Yu, Phys. Rev. E 58 (1998) 4991) that the widely used simulation code TDA3D, even though a single-frequency code, can be used to determine the power spectrum in the SASE process with excellent approximation in the exponential growth regime. In this paper, we apply this method to the BNL Cornell Wiggler A SASE experiment as an example. When the gain is not very high, there are many modes in the radiation, which seems to make the analytical calculation very difficult. However, we show that the increment of the radiation due to SASE over the spontaneous radiation can be expanded in terms of guided modes with rapid convergence. Thus when the spontaneous radiation is subtracted from the SASE power during the calculation, there is a good agreement between the analytical theory and the numerical simulation.
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.
During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose "kernels" partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even furt...
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 ...
We report first-principles frozen-phonon calculations for the determination of the force-free geometry and the dynamical matrix of the five Raman-active A_1_g modes in YBa_2Cu_3O_7. To establish the shape of the phonon potentials atomic forces are calculated within the linearized-augmented-plane-wave method. Two different schemes emdash the local-density approximation (LDA) and a generalized gradient approximation (GGA)emdash are employed for the treatment of electronic exchange and correlation effects. We find that in the case of LDA the resulting phonon frequencies show a deviation from experimental values of approximately -10%. Invoking GGA the frequency values are significantly improved and also the eigenvectors are in very good agreement with experimental findings. copyright 1997 The American Physical Society.
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...
A first-principles quasiparticle approach to the electronic excitation energies in crystals and at surfaces is described. The quasiparticle energies are calculated within the GW approximation for comparison with photoemission and other spectroscopic experiments. Applications of the method to bulk semiconductors and the Si(111)2[times]l, Ge(111)2[times]l. and H/Si(III) surfaces are presented. In both cases, significant self-energy corrections arising from many-electron effects to the excitation energies are found. Using atomic positions from total energy minimization, the calculated excitation energies explain quantitatively the experimental spectra. This approach thus provides an ab initio means for analyzing and predicting results from spectroscopic probes.
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)
The electronic structures of BaSnO_3, BaSbO_3, and BaPbO_3, calculated using an extended general-potential linearized augmented-plane-wave method, are reported. The electronic structures of BaSnO_3 and its 6s analog BaPbO_3 are found to be very different, explaining the absence of superconductivity in the Ba(Sn,Sb)O_3 system. These differences are explained by a combination of the relativistic lowering of the 6s states and ion-size effects. Muffin-tin-approximation augmented-plane-wave calculations for BaSnO_3 are also reported and the utility of the muffin-tin approximation for this and similar materials is discussed in terms of the differences between the two sets of calculations.
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.
Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).
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...
The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.
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 ...
Possible accident scenarios for a fusion reactor include breaches in the vacuum or cooling system. Intruding air or steam could react with structural or plasma facing materials, possibly mobilizing radioactive isotopes. Safety assessments must consider the early dose at the site boundary from the release of these activated materials. Previous calculations have indicated that cobalt isotopes dominate dose calculations for designs using stainless steel. Values used in these calculations, however, had been largely determined by the measurement limits of the chemical analysis methodology instead of measured releases. The purpose of the current study was to refine the analytical method to reduce the limit for detecting cobalt, and then test PCA steel in air and steam between 973 and 1473 K. Goals were to obtain more accurate measurements of cobalt mobilization in terms of g/m{sup 2}{center_dot}h and insight ...
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 ...
The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).
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).
The author applies the GO methodology to reliability analysis of the offsite power supply system of Daya Bay NPP. The direct quantitative calculation formulas of the stable reliability target of the system with shared signals and the dynamic calculation formulas of the state probability for the unit with two states are derived. The method to solve the fault event sets of the system is also presented and all the fault event sets of the outer power supply system and their failure probability are obtained. The resumption reliability of the offsite power supply system after the stability failure of the power net is also calculated. The result shows that the GO methodology is very simple and useful in the stable and dynamic reliability analysis of the repairable system
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).
BACKGROUND: Glyphosate resistance has been confirmed in 58 populations of Lolium rigidum (Gaud.), a major weed of crops in southern Australia. Extensive use of glyphosate in conjunction with minimal soil disturbance has been identified as high risk for resistance to that herbicide. Land managers need a simple method for rapid assessment of the risk of resistance occurring as a result of past and proposed future management practices. Modelled on risk assessment nomographs, a simple calculator for indicating the risk of evolved glyphosate resistance in L. rigidum is described.RESULTS: The calculator uses the generations since first use and the frequency of use of glyphosate in combination with historical cultivation levels as critical factors for determining the risk of glyphosate resistance...
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 ...
Experiments with fresh PWR fuel assemblies were performed to assess the {sup 252}Cf-source-driven frequency analysis method for measuring the subcriticality of spent fuel. The measurements at the Babcox and Wilcox Critical Experiments Facility mocked up between 17x17 fuel pins (single assembly) and a full array of 4961 fuel pins (about 17 fuel assemblies) in borated water with a fixed B concentration. For the full array, the B content of the water was varied from 1511 at delayed criticality to 4303 ppM. Measurements were done for various source-detector-fuel pin configurations; they showed high sensitivity of frequency analysis parameters to B content and fissile mass. Parameters such as auto and cross power spectral densities can be calculated directly by a more general model of the Monte Carlo code (MCNP-DSP). Calculation-measurement comparisons are presented. This model permits the validation of neutron and gamma ray ...
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 ...
An outline is given of time-dependent wavepacket methods as applied to calculations of molecular collisions with solid surfaces. The methods reviewed include numerical integration algorithms for the time-dependent Schroedinger equation, semiclassical wavepacket treatments, and approximations that treat some of the degrees-of-freedom quantum-mechanically and others classically. The computational and numerical characteristics of these methods are discussed, with emphasis on their particular advantages and relevance in the context of certain molecule/surface scattering problems. For the semiclassical and mixed quantal-classical treatments, the approximation errors and their physical origins are discussed. For the quantum wavepacket techniques a numerical error analysis is presented. The computational efficiency of the various algorithms is considered and examined in the context of several applications. The ...
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 ...
A general calculationmethod for the analysis of transmission capability of a long-distance single-core ac submarine cable system is presented. The method is based on modal transformation of voltages and currents in multiconductor cable systems. Using this method, numerical calculations on 500 kV submarine cable systems have been performed with particular reference to the effect of the distance between bonds connecting metallic sheath, outer conductor and armor on the transmission capacity of the system. It was clarified that the transmission capacity of the system increased with decreasing bond intervals. Examination of the current distributions between various conductors along the length showed that this increase of transmission capacity was mainly due to the dispersion of the charging current into the metallic sheath, outer conductor and armoring at the bonding points. Analytical ...
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 ...
The task of designing high performance X-ray optical systems requires the development of sophisticated X-ray scattering calculations based on rigorous information about the optics. One of the most insightful approaches to these calculations is based on the power spectral density (PSD) distribution of the surface height. The major problem of measurement of a PSD distribution with an interferometric and/or atomic force microscope arises due to the unknown Modulation Transfer Function (MTF) of the instruments. The MTF characterizes the perturbation of the PSD distribution at higher spatial frequencies. Here, we describe a new method and dedicated test surfaces for calibration of the MTF of a microscope. The method is based on use of a specially designed Binary Pseudo-random (BPR) grating. Comparison of a theoretically calculated PSD spectrum of a BPR grating with a spectrum measured ...
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 ...
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 ...
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 ...
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 ...
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 calculationalmethods 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.
While no mine in Queensland has yet extracted shale oil economically, large resources of oil shale are known to occur throughout the State. These resources have been reported to the Queensland Department of Resource Industries (formerly the Department of Mines) according to a number of different parameters, using numerous methods of calculation and in some instances, detailed and comprehensive supporting information has not been provided. This paper outlines present methods of calculation and reporting of oil shale resources. A more uniform system of reporting resources of Queensland oil shale is desirable to enable an accountable and reliable estimate of resources to be made. It is intended that a code for the reporting of identified oil shale resources based on the present Australian codes for the reporting of identified mineral and coal resources be prepared, and that the importance of determining ...
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 ...
The magnetic properties of diluted spinels Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) systems have been studied by mean field theory, probability law and high-temperature series expansions method in the range 0 {<=} x {<=} 1. The exchange interactions are calculated by the first and second theory, respectively. The magnetic phase diagrams of Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) are calculated by the high-temperature series expansions, combined with the Pade approximants method. The critical exponent associated with the magnetic susceptibility ({gamma}) is deduced.
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.
Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.
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)
Design of pipe whip restraints requires a knowledge of the maximum allowable unsupported pipe length. This paper presents a numerical method for calculating this critical length of the pipe. Salient features of the method are: (1) as a flow rounds an elbow, it exerts a transverse kick and an axial thrust to the pipe, both the axial thrust and the bending moment are considered; (2) the jet force is applied in an abrupt manner, the dynamic amplification factor (DAF) is determined from the load-deflection (H-{Delta}) curve of the pipe, by taking into consideration large strain, large deformation and the nonlinear stress-strain relationship of the piping material; (3) the ultimate capacity of the pipe under the combined action of an axial force and a bending moment is governed by an interaction formula. The maximum unsupported pipe length is calculated from this formula. Only the formulas and derivation are ...
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
An analytical method was proposed for calculating radiative fluxes incident on a planar circular detector from a volume multiple point chemi- or bio-luminescent source inside a coaxial cylindrical reactor. The method was designed for a cylindrical reactor when the surface reflections were neglected and when chemi- or bio-luminescence reaches a detector embedded in the same homogeneous optical medium as the point emitters of the volume multiple point source model. The radiative fluxes from arbitrarily distributed point emitters were expressed by one generalized quadruple-integral formula. Then some double- and single-integral formulas were obtained for calculating radiative fluxes from identically radiating point emitters uniformly distributed within the reactor. Selected results were compu...
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)
This Dissertation presents the author's investigation and development of a systematic method for evaluating the aerodynamic performance of Vertical Axis Wind Energy Capture Systems (WECS) apart from their electrical generation capability. The current standard method for specifying a wind energy machine is to discuss its rated power in kilowatts (or megawatts when capacity exceeds 100 kW). While this holistic method is effective for comparing machines it does not reveal the essential characteristics necessary for optimization of individual machine components. The method developed herein separates the performance characteristics of the WECS from the generation characteristics and isolates them for benchmarking and optimization. In order to develop an evaluation criterion, it was essential to evaluate and benchmark the current state of the art for wind energy capture. A thorough history of Vertical Axis ...
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 ...
The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is ...
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).
The effects of the heating rate from 0.6 up to 50"oC.s"-"1 on the thermoluminescence of #alpha#-Al_2O_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).
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 ...
Due to size and costs of big slewing rings, the common methods of experimental trial and error together with destructive test methods for verification of the inductive hardening process are limited. Thereby it is essential to simulate the hardening process in addition to the tests. With these simulations, it should be possible to get conclusions for the hardening pattern, the residual stress and distortion. With actually existing methods a fully three dimensional simulation is extremely time consuming. For that reason, a new method was developed that combines two dimensional with three dimensional simulation to shorten the time for calculation tremendously. (orig.)
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.
To investigate the 2D/1D fusion core analysis method, a 1D neutron transport problem solver, PEACH-ID, is developed. It is a code of method of characteristics (MOC), both the usual fiat-source step characteristics (SC) scheme and linear source (LS) approximation scheme are adopted for tracking calculation along the neutron flying trajectory. Exponential function interpolation table and fission source extrapolation are adopted as two major methods to accelerate the computational process. Numerical results demonstrate that PEACH-1D is accurate and efficient, and the proposed LS scheme is able to handle quite larger mesh division and deserves much more application in the MOC codes. (authors)
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...
In this paper, a hybrid time-frequency method (HTM) based on the improved Morlet wavelet and auto terms window (ATW) is presented. The Morlet wavelet, for its shape is similar to the mechanical shock signals, is added two parameters which decide the shape of the mother wavelet. The added parameters and the appropriate scale parameter for continuous wavelet transformation (CWT) are calculated using the cross validation method (CVM) and the minimum Shannon entropy method. The useless noise in the original signal can be filtered by the CWT filter de-noising process. An ATW based on the Smoothed Pseudo Wigner-Ville Distribution (SPWVD) spectrum is designed as a window function to suppress the cross terms in Wigner-Ville Distribution (WVD). The gear fault diagnosis experiment results show that ...
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 ...
In the development of the man-made island siting technology of nuclear power plants, assessing the stability of the seawall against large ocean waves and earthquakes is indispensable. Concerning with the seismic stability of the seawall, prediction of the deformation like sliding and settlement of the seawall during earthquake including the armour units in front of the caisson becomes important factor. For this purpose, the authors have developed the two-dimensional DEM-FEM coupled analysis method (SEAWALL-2D) to predict the deformation of the seawall covered with the armour units during earthquake. In this method, movements of the armour units are calculated in DEM analysis part and deformation of the caisson, rubble moundsand seabed and back fill are calculated in FEM analysis part taking the nonlinearity of the soil materials based on the effective stress into account. Numerical simulations of ...
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 ...
The {sup 252}Cf-source-driven noise analysis method is a versatile measurements tool that has been applied to measurements for initial loading of reactors, quality assurance of reactor fuel elements, fuel processing facilities, fuel reprocessing facilities, fuel storage facilities, zero-power testing of reactors, verification of calculationalmethods, process monitoring, characterization of storage vaults, and nuclear weapons identification. This method`s broad range of application is due to the wide variety of time- and frequency domain signatures, each with unique properties, obtained from the measurement. The following parameters are obtained from this measurement: average detector count rates, detector multiplicities, detector autocorrelations, cross-correlation between detectors, detector autopower spectral densities, cross-power spectral densities between detectors, coherences, and ratios of ...
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 ...
Non-invasive methods are described for estimating local cerebal blood flows (LCBF) and local partition coefficients (Llambda) 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 Llambda and LCBF using a least squares curve fitting analysis. Calculated Llambda 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 Llambda and LCBF patterns in various tissues and theoretical grounds ...
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 ...
This paper describes effects of methods to calculate and analyze bearing capacities and transformation of pile foundations in the limit state design method. Different pile bearing capacity estimating expressions including criteria used in other countries were applied to the case of steel piles driven into the `diatomaceous mudstone ground` in Noto Peninsula, Ishikawa Prefecture where detailed ground and soil surveys have been made, and the case of piles driven in place into the `sandy and clayish soil alternating ground layers` at the Tennoji area in Osaka Prefecture. The results were compared with those of static loading tests. As a result, the estimated bearing capacity limit was found to agree relatively well with the measured values where uniaxial compression strength was used according to the reference architectural formula. The estimated bearing capacity limit using the N-value as the soil constant has underestimated ...
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 ...
Small-angle X-ray scattering method recognised to be very useful in the studies of structural problems of materials in homogeneous in nanoscale. Studies by small-angle X-ray scattering on the Al-Ag alloys are presented. The size distributions of spherical Guinier-Person zones were calculated using Vonk's and Glatter's methods. Small-angle X-ray scattering studies were performed on Al-5.0 at.%Ag alloy containing Guinier-Preson zones in the #eta#-state. For this alloy one can assume that scattering particles are of spherical shape, have uniform electron density and scatter independently. Moreover, the size distributions were calculated for Al-1.6 at.%Ag alloy containing Guinier-Preston zones in #epsilon#-state (scattering particles with not uniform electron density). Both, Vonk's and Glatter's, methods gave similar size distributions. Profiles of size distributions for Guinier-Preston ...
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 ...
Two methods for computation of real, virtual and quasistationary energy eigenvalues are considered: summation of divergent perturbation series, solution of integral equations for t matrix on physical and nonphysical sheets of energy. The results of energy computation for s-, p- and d-states in potentials of a screened Coulomb type are presented. It is shown on an example of the Yukawa potential that the energy eigenvalues given by both these methods coincide with high precision. As an illustration the positions of real (deuteron) and virtual (singlet deuteron) poles of the np-scattering amplitude are calculated. For Yukawa type potentials the new theorem of symmetry for bound and virtual levels is discussed.
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)
Radiotherapeutic results of the Ewing sarcoma of the long tubular bones in 140 pediatric patients aged 3-16 are analyzed with the respect to different methods of irradiation. Three-field irradiation, the fields being located at 120 deg to one another with daily irradiation of all three fields at a focal dose of 2 Gy, was found superior in treatment of primary neoplasm. It is stressed that the disease termination mainly depends on the efficiency of primary neoplasm treatment, as the neoplasm reccurence generally is followed by metastases. Radiation load is calculated for maximal irradiation area of soft tissues in children.
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)
This study describes the formulations to optimize the time interval of inspections and/or replacements of equipment/parts taking into account the probability density functions (PDF) for failure rates and parameters of failure distribution functions (FDF) and evaluates the optimized results of these time intervals using our formulations by comparing with those using only representative values of failure rates and the parameters of FDF instead of using these PDFs. The PDFs are obtained with Bayesian method and the representative values are obtained with likelihood estimation method. However, any significant difference is not observed between both optimized results within our preliminary calculations. (author)
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.
Doubly-excited 2s{sup -1}2p{sup -1}3pnp 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.
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.
With a computerized curve fitting method the trapping parameters of TLD-100 chips were calculated after #alpha#-, #beta#- and #gamma#-irradiation. The absorption of radiation produces an additional glow peak at 250 deg C, and the dominant one arises at 280 deg C. After the analysis of the glow curves only a little LET-dependence of the trap depths and that of the half widths was detected. The charge densities after irradiation before heating of the taps responsible for the high temperature glow peaks (T>240 deg C) show a LET-dependence. (author).
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).
Measurements on laser shock compressed aluminium using the EXAFS (Extended X-ray Absorption Fine Structure) technique on the Al K-edge are described. Two methods of analysis of this data were used for the determination of density: the standard EXAFS technique using Fourier transforms and curve fitting, and a method based on a bandstructure calculation of the absorption spectra as a function of compression. These two techniques give results which are in fairly good agreement with each other and also with a hydrodynamic simulation of the experiment. The ion correlation parameter is estimated and shows that two-sided laser irradiation of aluminium foils produces a dense plasma which is strongly coupled. (author).
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.).
The method, use and results of computer-aided diagnosis of bone tumours and tumour-like skeletal abnormalities in childhood are described. One hundred and twentyone histologically verified cases were analysed and subjected to computer-aided diagnosis. Statistical methods were used, resulting in an accuracy of 96.7% and 91.7% respectively. In order to obtain additional confirmation of the diagnosis, a so-called growth rate was calculated by the computer. This proved to be a reliable criterion for evaluating the biological behaviour of tumours, irrespective of the histological diagnosis. The reasons for misdiagnosis were discussed. Attention is drawn to the importance of an accurate analysis of the radiographs and its input into the computer.
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)
The automatic interpretation of apparent resistivity curves from horizontally layered earth models is carried out by the curve-fitting method in three steps: (1) the observed VES data are interpolated at equidistant points of electrode separations on the logarithmic scale by using the cubic spline function, (2) the layer parameters which are resistivities and depths are predicted from the sampled apparent resistivity values by SALS system program and (3) the theoretical VES curves from the models are calculated by Ghosh's linear filter method using the Zhody's computer program. Two soundings taken over Takenoyu geothermal area were chosen to test the procedures of the automatic interpretation.
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.
The use of the method is described on powder samples before and after sintering with an La content of up to 1%. For excitation of the K series of La a _2_4_1Am 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. (Ha).
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...
Absolute, cascade-free excitation cross sections in an ion have been measured for the resonance "2S#->#"2P transition in Zn"+ using electron-energy-loss and merged electron-ion beams methods. Measurements were carried out at electron energies of below threshold to 6 times threshold. Comparisons are made with 2-, 5-, and 15-state close-coupling and distorted-wave theories. There is good agreement between experiment and the 15-state close-coupling cross sections over the energy range of the calculations.
Babcock and Wilcox Volund is a major European provider of energy producing plants based on biomass and waste materials, which was founded in 1898 and today employs about 400 persons with headquarters and manufacturing in Esbjerg, Denmark. The R and D staff is about 10 persons, concentrating on gasification and improvement of traditional products. The Company turnover is about 120 mio. Euro annually, of which about 80 % is exported (50 % outside Europe - mostly far East). In 2000 the Company was acquired by US Company Babcock and Wilcox. In 1988 Volund initiated the development of updraft wood-chips gasifier Technology, which led to the commissioning of the Harboore gasifier early 1994. The work was supported in part by the Danish ELKRAFT Power Utilities and the Danish Energy Agency. The development process was carried out until 2002 and Volund now just concluded a license agreement with the Japanese engineering Company JFE. The overall layout for the Harboore plant ...
Women treated of localised stages of cervix cancer have a very good prognosis. But do health care professionals have a tendency to underestimate the potential need for rehabilitation of this group? To be able to answer this question this study aimed to develop knowledge concerning these women's own perception of their health during a long period after surgical cancer treatment. A total of 398 women who underwent radical hysterectomy in the period from the 1 January 1983 to 31 December 2000 participated in the study at Aarhus University Hospital, Skejby in Denmark 2001-2003. All patients initially filled in an internally validated questionnaire. Subsequently a sample of 100 women filled in the questionnaires Short Form -36 and Sense of Coherence to evaluate their self-reported health. Analy...
Over 170 participants from 60 countries met for three days in Copenhagen from 7 to 9 June 1994 to discuss howe the aims of the United Nations Framework convention on Climate Change can be translated into practical action. The Conference was organised by the UNEP collaborating Centre on Energy and Environment (UCCEE), with financial support from the Danish International Development Agency (Danida), the Global Environment Facility (GEF), the United Nations Environment Programme (UNEP) and Risoe National Laboratory, Denmark. The main objective of the conference was to identify common approaches to national mitigation analysis for countries to use in meeting their commitments under the FCCC, and in setting priorities for national actions. Although addressing a broader theme, the conference marked the completion and publication of the second phase on UNEP Greenhouse Gas Abatement Costing Study. (au)
Monocelis lineata is a complex of cryptic species (three in the Mediterranean and one in the Atlantic) widespread in midlittoral habitats. Throughout the range, populations with or without an ocular pigmented shield are found. We investigated the genetic structure of the North-East Atlantic populations with the aim of shedding light on their phylogeography and reconstructing possible patterns of recolonization after the Wrmian glaciation. Fourteen samples were investigated using cytochrome c oxidase subunit I (COI) and 13 by inter-simple sequence repeats (ISSRs). COI did not exhibit a clear pattern of decreased genetic diversity along a latitudinal gradient. Populations from Ferrol (Spain), Doolin (Ireland), and Helsingr (Denmark) showed a higher genetic variability, whereas a reduction in...
Mapping the distribution of invasive alien plant species is significant for testing ecological hypotheses and for guiding effective management. Little is known about the distribution of invasive plants at landscape scale, and the factors controlling their dispersal and establishment are still poorly understood. This is the case for Rosa rugosa, an invasive shrub with negative effects on biodiversity in dune ecosystems of NW Europe. The aim of the study was to identify the factors which determine the distribution of R. rugosa in coastal dunes. In a large semi-natural dune area of NW Denmark (2364ha) all patches of the species (1321, 1.3-59.1m2) were GPS mapped. Patch distribution was GIS analysed, based on aerial photographs and vegetation maps. The distance of R. rugosa from the most consp...
A large number of proven technical solutions exists for the use of renewable energies. However, their dissemination is still too slow to meet the political goal of substituting for 8-15% of the primary energy demand in the European Union by the year 2010. Even renewable energy systems (RES) with an economic potential are only partly exploited. The FIRE research project financed partly in the JOULE program analyses and compares the means of financing RES in Austria, Denmark, Germany, the Netherlands, Spain, Sweden and the United Kingdom to put forward best practice recommendations so that renewable energy depolyments will occur at a faster rate. FIRE addresses to politicians, to potential investors and to project-developers. (orig./RHM)
A reduced grid model of a transmission system with a number of central power plants, consumption centers, local wind turbines and a large offshore wind farm is developed and implemented in the simulation tool PowerFactory (DIgSILENT). The reduced grid model is given by Energinet.dk, Transmission System Operator of Denmark (TSO) for Natural Gas and Electricity, to the Danish Universities and the Risoe National Laboratory. Its intended usage is education and studying of interaction between electricity-producing wind turbines and a realistic transmission system. Focus in these studies is on voltage stability issues and on the ride-through capability of different wind turbine concepts, equipped with advanced controllers, developed by the Risoe National Laboratory.
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 {+-} ...
Hyogo-ken Nanbu earthquake with a focus in the Akashi straits has given huge earthquake damages in and around Awaji Island and Kobe City in 1995. It is clear that the basement structure, which is steeply deepened at Kobe City from Rokko Mountains towards the coast, and the focus under this related closely to the local generation of strong ground motion. Generation process of the strong ground motion was discussed using 2D and 3D numerical simulation methods. The 3D pseudospectral method was used for the calculation. Space of 51.2km{times}25.6km{times}25.6km was selected for the calculation. This space was discretized with the lattice interval of 200m. Consequently, it was found that the basement structure with a steeply deepened basement, soft and weak geological structure thickly deposited on the basement, and earthquake faults running under the boundary of base rock and sediments related greatly to ...
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 ...
In this paper, we calculated the radioactive concentration distribution of radioactive waste water, the temperature distribution of drained cooling water and the effect of implement from the Daya Bay Nuclear Power Plant on nearby waters range, discussed and analysed some problems of computational results and computation with Alternating Direction Implicit Method (ADI). The contents of the article included: the establishment of two-dimension tidal current equation, radioactive waste water pollutant dispersion equation and cooling water heat convection diffusion equation, the numerical difference calculation model of tidal current field, concentration field as well as temperature field, effect impingement with ADI method, numerical calculation results. The result of research showed that: when the Daya Bay Nuclear Power Plant is on normal operation and after the low level radioactive ...
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 ...
This report focuses on air quality at the Nevada Test Site (NTS) for 1994. A general description of the effluent sources are presented. Each potential source of NTS emissions was characterized by one of the following: (1) by monitoring methods and procedures previously developed at NTS; (2) by a yearly radionuclide inventory of the source, assuming that volatile radionuclides are released to the environment; (3) by the measurement of tritiated water concentration in liquid effluents discharged to containment ponds and assuming all the effluent evaporates over the course of the year to become an air emission; or (4) by using a combination of environmental measurements and CAP88-PC to calculate emissions. Appendices A through J describe the methods used to determine the emissions from the sources. These National Emission Standards for Hazardous Air Pollutants (NESHAP) emissions are very conservative, are used to ...
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 ...
Bioethanol is among the most promising of biofuels that can be produced from different biomass such as agricultural products, waste and byproducts. This paper reported on a study that examined the energy conversion of different groups of biomass to bioethanol, including lignocelluloses, starches and sugar. Biochemical conversion generally involves the breakdown of biomass to simple sugars using different pretreatment methods. The energy needed for the conversion steps was calculated in order to obtain mass and energy efficiencies for the conversions. Mass conversion ratios of corn, molasses and rice straw were calculated as 0.3396, 0.2300 and 0.2296 kg of bioethanol per kg of biomass, respectively. The energy efficiency of biochemical conversion of corn, molasses and rice straw was calculated as 28.57, 28.21 and 31.33 per cent, respectively. The results demonstrated that lignocelluloses can be ...
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 ...
A convolution/superposition method is proposed for use with primary and scatter dose kernels formed for energy bins of X-ray spectra reconstructed as a function of off-axis distance. It should be noted that the number of energy bins is usually about ten, and that the reconstructed X-ray spectra can reasonably be applied to media with a wide range of effective Z numbers, ranging from water to lead. The study was carried out for 10-MV X-ray doses in water and thorax-like phantoms with the use of open-jaw-collimated fields. The dose calculations were made separately for primary, scatter, and electron contamination dose components, for which we used two extended radiation sources: one was on the X-ray target and the other on the flattening filter. To calculate the in-air beam intensities at po...
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 ...
We report ab initio calculations of positron wave functions in the high-T/sub c/ superconductors YBa_2Cu_3O_7, Bi_2Sr_2CaCu_2O_8, and Tl_2Ba_2CaCu_2O_8 using the general potential linearized augmented plane-wave method. The calculated positron wave functions are fairly insensitive to whether or not electron-positron correlation is included in the calculation for YBa_2Cu_3O_7 and Tl_2Ba_2CaCu_2O_8, but the calculated positron density is quite sensitive to correlation in Bi_2Sr_2CaCu_2O_8. While the positron wave function samples primarily the chain region in YBa_2Cu_3O_7, the results indicate that positrons should be good probes of the Cu-O layer-derived electronic states near the Fermi energy in Tl_2Ba_2CaCu_2O_8 since a large overlap with these states is predicted.
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 ...
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. ...
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 ...
Results from four chemical-equilibrium computer programs, REDEQL.EPAK, GEOCHEM, WATEQF, and SENECA2, have been compared with experimental solubility data for some simple systems of interest with geothermal brines. Seven test cases involving solubilities of CaCO/sub 3/, amorphous SiO/sub 2/, CaSO/sub 4/, and BaSO/sub 4/ at various temperatures from 25 to 300/sup 0/C and in NaCl or HCl solutions of 0 to 4 molal have been examined. Significant differences between calculated results and experimental data occurred in some cases. These differences were traced to inaccuracies in free-energy or equilibrium-constant data and in activity coefficients used by the programs. Although currently available chemical-equilibrium programs can give reasonable results for these calculations, considerable care must be taken in the selection of free-energy data and methods of calculating activity coefficients.
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.
Thermodynamic data has been selected for solids and aqueous species of technetium. Equilibrium constants have been calculated in the temperature range 0 to 300 deg C at a pressure of 1 bar for T<100 deg C and at the steam saturated pressure at higher temperatures. For aqueous species, the revised Helgeson-Kirkham-Flowers model is used for temperature extrapolations. The data base contains a large amount of estimated data, and the methods used for these estimations are described in detail. A new equation is presented that allows the estimation of #DELTA#_rCdeg_p_m values for mononuclear hydrolysis reactions. The formation constants for chloro complexes of Tc(V) and Tc(IV), whose existence is well established, have been estimated. The majority of entropy and heat capacity values in the data base have also been estimated, and therefore temperature extrapolations are largely based on estimations. The uncertainties derived from these ...
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.
The upgrading of several 69 kV pipe-type cable feeders on the Potomac Electric Power Company (PEPCo) transmission cable system is discussed. The methods used for the ampacity calculation are described. The fluid circulation approach required to meet the feeder emergency load requirements are discussed. For the feeders that were in service for approximately 40 years, a system life evaluation was performed.
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.
This paper is concerned with methods of limiting the build-up of transient voltages between sheath and armor in long armored power cables. Calculations by a frequency dependent cable model demonstrate that this voltage can be efficiently limited to an acceptable level by introducing sheath-armor bondings at regular intervals, or by using a semiconductive sheath-armor interlayer. The paper investigates the required minimum length between bondings, as well as the required conductivity of the sheath-armor interlayer if the use of bondings is to be avoided.
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.
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.
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.
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_4xNQD 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.
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.
Thermal absorption with its combined thermal and mechanical loads in a solar receiver does depend significantly on the distribution of incident solar radiation. For a cavity receiver with paraboloid collectar a method is derived which enables the calculation of solar radiation distribution on the areas inside the receiver. The theoretical bases are presented first, and a subsequent example shows the influence of the most important geometric parameters on the distribution of solar radiation.
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.
The authors study the general features of the dimensional reduction scheme for multi-dimensional spaces of the type M/sup 4/ x S/R, S/R being a symmetric coset space. The properties of the scalar potentials of the reduced theories are investigated and an effective method of explicit calculation of these potentials is elaborated. They consider also a wide class of embeddings of Lie subalgebras into simple Lie algebras resulting in reduced theories of physical interest.
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)
Radial distribution functions of liquid sodium and caesium at 100"0C have been calculated by the method of molecular dynamics with interionic pair potentials derived from Heine-Abarenkov-Shaw type model potential. The results were found to be in good agreement with recent experimental data. (Auth.).
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
This paper investigates the calculation of availability for parallel transmission lines (two or more) in the same tower or on the same right of way. As in many studies, the development of mathematical models is an important step. The models are justified using historical data and known characteristics of power system elements. A statistical method was used to generalize the failure rate and repair rate from real operating data. Application of the new model (which combines common-mode, simultaneous independent, and dependent outages) is discussed.
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).
The complex formation of zirconium with biphenyl mono- and biscatecholyazo derivatives has been studied spectrophotometrically. The composition of the complexes, form and charge of complex-forming zirconium ions have been established. A procedure is suggested for calculation of molar absorptivities and stability constants for each of the complexes formed simultaneously in the system. Possible complex formation schemes have been studied. The data obtained were used to develop a spectrophotometric method of determining zirconium in the presence of large amounts of copper.
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.
We study the Anderson model on a two-dimensional square lattice with an applied weak magnetic field B which causes the hopping matrix elements to have Peierls phase factors. The recursion method is applied and B dependent conductivity ?(B) is calculated from the Kubo formula for different system sizes and degree of disorder W . For large W there is no systematic change of ?(B) with B, it shows a fluctuating behavior.
The European Research and Development Program on decay heat removal by natural convection for the European Fast Reactor (EFR) covers the calculationalmethods 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)
...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...
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.
The Grueneisen parameter and lattice thermal expansion of the A-15 compounds V_3Si and V_3Ge at room temperature are evaluated on the basis of the method due to Brugger and Fritz from the third order elastic constants reported earlier. The calculated values are compared with available experimental values and are found to fit satisfactorily. (author).
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.
The radial distribution function (RDF) derived from wide angle X-ray diffraction patterns gives additional information about the spatial distribution of atoms. Their radial distances and relative average coordination numbers can be calculated using appropriate mathematical procedures. 7 refs.
We report the results of a theoretical study of the electronic and structural properties of the hexagonal beryllium nitride, using first principle pseudopotential plane wave (PP-PW) as well as full potential linearized augmented plane wave (FP-LAPW) methods within density functional theory. In the case of PP-PW we generated the pseudopotential by the highly optimized Q_c-tuning method and used the local density approximation and generalized gradient approximation (GGA) for the exchange-correlation potential. We applied pressure on the unit cell by the Wentzcovitch and traditional methods. In the FP-LAPW approach only the GGA was used for the exchange-correlation potential. Our calculated values for structural properties, based on both approaches are in reasonable agreement with experimental and other theoretical (Hartree Fock) results. By applying the above two approaches and also the Tight Binding ...
The mainly nonstationary operation of a solar-heated receiver can be simulated with sufficient accuracy only if data about the dynamic behavior are available. For this reason, the dynamic behavior of a solar cavity receiver with parabolic dish collector is investigated. The development of a mathematical simulation considering heat transfer and storage processes is presented and the procedure for a numerical solution is illustrated. The performance of the calculationmethod is finally demonstrated by simulating the passage of a cloud.
The mainly instationary operation of a solar heated receiver can be simulated with sufficient accuracy only if data about the dynamic behavior are available. For this reason, the dynamic behavior of a solar cavity receiver with parabolic dish collector is investigated. The development of a mathematical simulation considering heat transfer and storage processes is presented and the procedure for a numerical solution is illustrated. The performance of the calculationmethod is finally demonstrated by simulating the passage of a cloud.
Using ab initio (SCF/6-31G) method, mechanisms of proton migrations in methaboric acid dimers have studied. It is shown that in all the dimers considered a cooperative transfer of protons occurs. The calculated values of activation barriers of cooperative proton transfer reactions in the dimers are equal to 28.6 kcal/mol.
The author attempts to calculate the absolute characteristics of explosives unrelated to the effects of environment, particularly for that part of the work of the explosion done by the expansion of the detonation products. Setting forth his equations and noting their agreement with experimental data, he concludes that for a complete characterization of the relative effectiveness of explosives it is necessary to know the pressure, mass velocity, and polytropic index of the detonation products, but that developed considerations of the relation between performance and detonation characteristics permit a more exact evaluation of various explosives and unification of the nomenclature of explosives and methods of testing them.
The working group reviewed the main difficulties foreseen in doing physics at a gamma-gamma collider. They discussed the requirements for the detector, calculated some of the signal and background rates, compared methods of measuring luminosity, looked at how to get the laser beams in, investigated ways of sweeping aside the electrons and considered ways of disposing of the used beams. No overwhelming obstacles were found but important questions still need to be answered. ((orig.)).
The working group reviewed the main difficulties foreseen in doing physics at a gamma-gamma collider. They discussed the requirements for the detector, calculated some of the signal and background rates, compared methods of measuring luminosity, looked at how to get the laser beams in, investigated ways of sweeping aside the electrons and considered ways of disposing of the used beams. No overwhelming obstacles were found but important questions still need to be answered. ((orig.)).
The temperature and concentration dependence of the densities of binary CaBr_2-(Li, Na, K, Rb, Cs)Br, NaBr-(Sr, Ba)Br_2 and KBr-SrBr_2 mixtures have been measured using the method of hydrostatic weighing. With exception of the systems LiBr-CaBr_2 and NaBr-(Sr, Ba)Br_2 the calculated molar excess volumes are positiv in the investigated mixtures. (author).
In research of nuclear medicine and development of radiopharmaceuticals, it is necessary to do data analysis and know transportation behaviors of the radionuclide in tissues or organs concerned. Based on polynomial fitting method, we developed the software INDFIT 1.0 programmed by Microsoft Visual Basic 6.0 (VB 6) for the data analysis. Experimental calculations showed that the software was of practical use
A multiwire cylindrical drift chamber is the main detector of the AMPIR 4#pi#-spectrometer for studying pion-nucleon reactions. The chamber has possibility to measure three coordinates by the electron drift time and by the charge division method. Chamber design and geometry, test bench, readout electronics and also results of calculations, simulation and tests are described.
The method of surface acoustic waves is employed to determine the frequency and temperature dependences of the molar heat capacity of poly(vinyl chloride) on the contribution of Rayleigh local components of the longitudinal and transverse vibrations of structural units of the polymer. The calculated and experimental data are compared in terms of their dependence on the relaxation state of the system.
The calibration of cylindrical detectors using different types of radioactive sources is a matter of routine. The most accurate method, that of experiment, is limited by several factors when the energy interval is broad, requiring a relatively large number of primary standards, implying considerable investment of money and time. Several other techniques can be used instead, including Monte Carlo simulations and semi-empirical methods. Calculations based on the first technique require good definition of the geometry and materials, including the dead layer and window thickness together with an accurate set of cross-sections. The second technique requires two different types of experimental input, the first being from use of sources emitting cascade {gamma} rays and the second from use of sources emitting isolated {gamma} rays in order to cover the wide energy range and provide coincidence-summing corrections, respectively. ...
In this article, equations of motion of a manipulator are derived after consideration of the characteristics of the driving source. By considering a collision between a link and an object, and considering the active motion to absorb the kinetic energy of the object, the trajectories for saving energy are calculated by the iterative dynamic programming (IDP) method. The dynamic characteristics of manipulator control based on the trajectory for saving energy are also analyzed theoretically and investigated experimentally.
A computerised curve-fitting method was developed to calculate the trapping parameters in LiF TLD-100 and LiF:Mg, Ti. After irradiation in a "6"0Co field and with X rays emitted at different voltages the TL process is best described by first-order kinetics. A dependence of the trapping parameters on both the concentration of Mg and Ti and photon energy was detected. (author).
An analysis of trapezoidal profile convective pin fins, with internal heat generation density is presented. The solution of the optimal problem is also given, when either the desired heat dissipation rate or the volume of the pin is specified. The results are presented graphically and in polynomial forms that are particularly useful for computerized calculations. The effect of the fin`s profile and thermal conductivity upon the optimum dimensions is discussed. An example serves to demonstrate the usefulness of the method.
In this paper, using combinatorial and analytic methods, we prove an exact calculating formula on the $2m$-th power mean value of the generalized quadratic Gauss sums for $m\\geq 2$. This solves a conjecture of He and Zhang [`On the $2k$-th power mean value of the generalized quadratic Gauss sums', Bull. Korean Math. Soc. 48 (2011), No.1, 9-15].
A formula for calculating the Dirac S-matrix for central Lorentz scalar and vector potentials is derived by use of a new amplitude-phase method. The derivation also makes use of certain invariants of the reduced 2-spinor radial Dirac equations.
A formula for calculating the Dirac S-matrix for central Lorentz scalar and vector potentials is derived by use of a new amplitude-phase method. The derivation also makes use of certain invariants of the reduced 2-spinor radial Dirac equations.
Angular wave functions are investigated which describe the motion of two electrons in the field of a nucleus at fixed equal distances from electrons to the nucleus. Calculationmethods are considered that include matching of power series and expansion in series of Legendre polynomials. Asymptotic properties of solutions at small large distances are determined.
Depth dose distributions for protons in the energy range from 2 to 600 MeV have been calculated by Monte Carlo and analytical methods. The dependence on energy of Maximum Dose Equivalent (MDE), quality factor and isotropic factor recommended for practical use are presented. The problems connected with regulation of maximum permissible proton fluxes are discussed. (author).
The Screening Risk Evaluation (SRE) guidance document is a set of guidelines provided for the uniform implementation of SREs performed on decontamination and decommissioning (D&D) facilities. Although this method has been developed for D&D facilities, it can be used for transition (EM-60) facilities as well. The SRE guidance produces screening risk scores reflecting levels of risk through the use of risk ranking indices. Five types of possible risk are calculated from the SRE: current releases, worker exposures, future releases, physical hazards, and criticality. The Current Release Index (CRI) calculates the current risk to human health and the environment, exterior to the building, from ongoing or probable releases within a one-year time period. The Worker Exposure Index (WEI) calculates the current risk to workers, occupants and visitors inside contaminated D&D facilities due to ...
In the case where sources and receivers are not distributed on a 2-D plane, seismic tomography inversion was studied. In tomography experiments, the existing wells are generally used. In such case, sources and receivers are frequently not distributed on a 2-D plane. The 2.5-D analysis method including 2-D structure and 3-D ray-tracing was thus developed. This method is featured by less memory necessary for ray-tracing calculation, and the same algorithm for velocity determination as 2-D analysis method. In previous methods, since analysis is generally carried out by projecting sources and receivers on a certain assumed 2-D plane, it can derive correct results in the case of constant velocity and straight ray, however, in the other case, it derives incorrect results. Application of 3-D tomography requires a large amount of memory, and falls into poor convergence because of various ...
The present paper explains the curve-fitting method developed as a method to estimate the geothermal equilibrium forming temperature. In the present method, that temperature is estimated by obtaining, by non-linear lest square, the model parameter to minimize the sum of remainders squared between the temperature actually measured after a lapse of certain time from the stoppage of mud water circulation and that calculated on the basis of Middleton model, mathematical model of temperature equilibrium well. In the Horner's plotting method currently in general use, temperature recovery data during a long period of about 120h are required for estimating the geothermal equilibrium forming temperature. However in the curve-fitting method, it is confirmed from the actual well data that the well recovery temperature is estimable from three logging data during ...
An important unresolved issue in outcomes analysis for lung complications is the effect of poor or completely lacking heterogeneity corrections in previously archived treatment plans. To estimate this effect, we developed a novel method based on Monte Carlo (MC) dose calculations which can be applied retrospectively to RTOG/AAPM-style archived treatment plans (ATP). We applied this method to 218 archived nonsmall cell lung cancer lung treatment plans that were originally calculated either without heterogeneity corrections or with primitive corrections. To retrospectively specify beam weights and wedges, beams were broken into Monte Carlo-generated beamlets, simulated using the VMC++ code, and mathematical optimization was used to match the archived water-based dose distributions. The derived beam weights (and any wedge effects) were then applied to Monte Carlo beamlets regenerated based on the patient ...
Soil erodibility (the K factor in the Universal Soil Loss Equation, USLE) is an important index to measure soil susceptibility to water erosion, and an essential parameter needed for soil erosion prediction. To evaluate the appropriateness of the nomograph and other methods for estimating the K factor for the USLE and to develop a relationship for soil erodibility estimation for Chinese soils, a set of soil erodibility values was calculated using soil loss data from natural runoff plots at 13 sites in eastern China. The definition of soil erodibility in relation to the USLE was strictly followed. Comparing these measured values to those estimated using the nomograph method, the method adopted for the EPIC model and the formula of Shirazi and Boersma, we found that all these estimated soil ...
The ability of the /sup 252/Cf-source-driven neutron noise analysis method to measure subcriticality has been demonstrated in a variety of experimental configurations of fissile materials. Calculations for an approximately 4-m-dia configuration of light water reactor (LWR) fuel elements indicated the feasibility of measuring the subcriticality of large, loosely coupled arrays of LWR fuel elements by this same method. These analysis suggested application to the initial loading of both pressurized and boiling water reactors, zero-power testing of reactors (such as shutdown margin measurements after initial loading), light water reactor refueling, and safe storage of LWR spent fuel. In the fuel storage application, direct measurement of subcriticality in the actual fuel storage facilities provides the parameter which is directly related to criticality safety.
A noninvasive method is described for estimating local cerebral blood flow (LCBF) and local partition coefficients by means of computed tomographic scanning during inhalation of 30% stable xenon gas in oxygen. Time-dependent xenon concentrations in arterial blood and brain tissue during the wash-in and washout phases are used to calculate partition coefficients and LCBF values by means of a least-squares curve-fitting analysis. Control values for partition coefficient and LCBF obtained from control subjects with minor head trauma in the chronic stage were compatible with those in several past reports, and reproducibility was satisfactory. The theoretic grounds underlying this new method of curve-fitting analysis are discussed.
A noninvasive method is described for estimating local cerebral blood flow (LCBF) and local partition coefficients by means of computed tomographic scanning during inhalation of 30% stable xenon gas in oxygen. Time-dependent xenon concentrations in arterial blood and brain tissue during the wash-in and washout phases are used to calculate partition coefficients and LCBF values by means of a least-squares curve-fitting analysis. Control values for partition coefficient and LCBF obtained from control subjects with minor head trauma in the chronic stage were compatible with those in several past reports, and reproducibility was satisfactory. The theoretic grounds underlying this new method of curve-fitting analysis are discussed.
The application of a method for determining the temperature of an oxygen-replenished air stream heated to 2600 K by a hydrogen burner is reviewed and discussed. The purpose of the measurements is to determine the spatial uniformity of the temperature in the core flow of a ramjet test facility. The technique involves sampling the product gases at the exit of the test section nozzle to infer the makeup of the reactant gases entering the burner. Knowing also the temperature of the inlet gases and assuming the flow is at chemical equilibrium, the adiabatic flame temperature is determined using an industry accepted chemical equilibrium computer code. Local temperature depressions are estimated from heat loss calculations. A description of the method, hardware and procedures is presented, along with local heat loss estimates and uncertainty assessments. The uncertainty of the method is estimated at {+-}31 K, ...
An improved singular value decomposition method of gear fault identification based on Hilbert-Huang transform was proposed to overcome the problem of reconstructing a feature matrix of singular value decomposition. The method includes three steps. First, the instantaneous frequency and amplitude matrices were acquired by Hilbert-Huang transform from faulted gear signals. Second, after the matrices were decomposed by singular value decomposition, the defined distances of singular value vectors and the optimal threshold of the distance for classification were calculated. Third, the fault characteristics of a gearbox were identified and classified by the threshold of the distances. The result demonstrates that the proposed method effectively identifies the gear fault and can realize an automa...
An estimation method of plasma density based on surface plasmons theory for surface-wave plasmas is proposed. The number of standing-wave is obtained directly from the discharge image, and the propagation constant is calculated with the trim size of the apparatus in this methods, then plasma density can be determined with the value of 9.1 x 1017 m-3. Plasma density is measured using a Langmuir probe, the value is 8.1 x 1017 m-3 which is very close to the predicted value of surface plasmons theory. Numerical simulation is used to check the number of standing-wave by the finite-difference time-domain (FDTD) method also. All results are compatible both of theoretical analysis and experimental measurement. (authors)
Smoothed Particle Hydrodynamics (SPH) is a Lagrangian, particle-based method that is well suited to industrial mixing simulations. Mass transport is simply the motion of the particles, and its grid-free nature means that it can easily accommodate complicated geometries involving moving parts and sharp corners. This article describes 2D SPH simulations of a Twin Cam mixer and compares the results against experimental data and results from two published finite element method (FEM) simulations. To analyze the mixing processes in the Twin Cam mixer, we present a method for calculating the Finite-Time Lyapunov Exponent (FTLE) using SPH particle data. The FTLEs can be used to locate the unstable and stable manifolds in the flow and indicate where mixing is either promoted or inhibited in the flo...
Derivative spectrophotometry and bivariate calibration algorithm were used for study of run of photooxidation of levomepromazine hydrochloride (LV). The actual concentrations of LV and its main degradation product levomepromazine sulphoxide (LV-SO) were calculated using data provided by applied methods. The direct reading of absorbance values at 302nm and 334nm were employed for quantification of LV and LV-SO, respectively, in the case of bivariate method. The derivative spectrophotometric method is based on transformation of zero-order spectra into first derivative. The values of first derivative at 334nm were used for quantification of LV while at 278nm for assay of LV-SO. The obtained quantitative data were applied for investigation of kinetics of photodegradation of LV.
A method for the determination of stereotaxic coordinates in radiography, e.g. angiography, pneumoencephalography or digital vascular radiography, is described. A special localization frame containing radiopaque structures and scales defines a diagnostic coordinate system. This frame is fixed to the X-ray-table prior to the radiographic procedure and two projections are obtained at arbitrary angles to each other. The focus-film distances do not have to be fixed. The target coordinates are then determined either by a simple graphical procedure or with the use of a digitizing x-y-table, by a computer. With the computer method the films are placed on the digitizing table and the target and a few reference points are marked using a cursor. From the relative positions the computer calculates the coordinates. With the special head fixation system, coordinates of structures visualized in radiographic examinations can be ...
Full text: A semiempirical algorithm for absorbed dose calculation at off-axis points in irregular beams was implemented. It is well known that semiempirical methods are very useful because of their easy implementation and its helpfulness in dose calculation in the clinic. These methods can be used as independent tools for dosimetric calculation in many applications of quality assurance. However, the applicability of such methods has some limitations, even in homogeneous media, specially at off axis points, near beam fringes or outside the beam. Only methods derived from tissue-air-ratio (TAR) or scatter-maximum-ratio (SMR) have been devised for those situations, many years ago. Despite there have been improvements for these manual methods, like the Sc-Sp ones, no attempt has been made to extend their usage at off axis ...
In this work, a full ligand-field energy matrix (10x10) diagonalization treatment for 3d"1 ions in tetragonal symmetry is developed on the basis of the two-s.o.-coupling-parameter model. Spin Hamiltonian parameters (g factors g_|_|, g_p_e_r_p_e_n_d_i_c_u_l_a_r and hyperfine structure constants A_|_|, A_p_e_r_p_e_n_d_i_c_u_l_a_r) of the tetragonal V"4"+ center in Zn(antipyrine)_2(NO_3)_2 are calculated from the complete energy matrix diagonalization method and the perturbation theory method. The calculated results from both methods are not only close to each other but also in good agreement with the experimental values. Furthermore, the compressed defect structure of V"4"+ center is discussed.
The seismic analysis of nuclear island of Daya Bay Nuclear Power Plant (NPP) was just in accordance with the approaches in RCC-G standard for the model M310 in France, in which the simplified impedance matrix method was employed for the consideration of soil's function. In this paper the more sophisticated 3D half-space continuum impedance method based on the Green functions is used to analyze the function of soil. In addition, multi-group of input time histories was used in the seismic response analysis in the existing design and their average of responses for each group was taken as the design basis. The same multi-group of input time histories was used in the seismic response analysis in this study, but the average and enveloped value of responses for each case are calculated respectively to account for the uncertainty of input motions. Focused on the above two issues, the seismic responses of the reactor building are ...
We investigated a method of analyzing the hemodynamics of the lung mass by contrast enhanced dynamic computed tomography (dynamic CT) to determine the difference in vascular supply between the pulmonary artery and bronchial artery using an experimental model. Our experimental model consisted of two injectors connected to two tubes, representing the pulmonary artery and bronchial artery, which were further connected to a chamber representing the lung mass. Following infusion of contrast medium into each tube with some delay time, dynamic CT scans were performed to obtain time density curves of the two tubes and the chamber. Using the time-density curve of contrast passage, flow rates from the two tubes into the chamber were calculated by the curve fitting method. Calculated values correlated well with the adopted flow rates of fluid from the injectors (r=0.893) in the experiment. The results indicate our ...
We investigated a method of analyzing the hemodynamics of the lung mass by contrast enhanced dynamic computed tomography (dynamic CT) to determine the difference in vascular supply between the pulmonary artery and bronchial artery using an experimental model. Our experimental model consisted of two injectors connected to two tubes, representing the pulmonary artery and bronchial artery, which were further connected to a chamber representing the lung mass. Following infusion of contrast medium into each tube with some delay time, dynamic CT scans were performed to obtain time density curves of the two tubes and the chamber. Using the time-density curve of contrast passage, flow rates from the two tubes into the chamber were calculated by the curve fitting method. Calculated values correlated well with the adopted flow rates of fluid from the injectors (r=0.893) in the experiment. The results indicate our ...
The {sup 252}Cf-source-driven frequency analysis method can be used for measuring the subcritical neutron multiplication factor of arrays of LWR fuel and as little as a single PWR fuel assembly. These measurements can be used to verify the criticality safety margins of spent LWR fuel configurations and thus could be a means of obtaining the information to justify burnup credit for spent LWR transportation/storage casks. In addition, the data can be used to validate calculationalmethods for criticality safety. These measurements provide parameters that have a higher sensitivity to changes in fissile mass than neutron multiplication factor and thus serve as a better test of calculationalmethods. The analysis have also shown that measurement of the cross power spectral density (CPSD) between detectors on one side of a single fuel assembly and an internal or external {sup 252}Cf ...
The sub-criticality monitoring system has been developed for criticality safety control in nuclear fuel handling plants. In the past experiments performed with the Deuterium Critical Assembly (DCA), it was confirmed that the detection of sub-criticality was possible to k{sub eff} = 0.3. To investigate the applicability of the method to more generalized system, experiments were performed in the light-water-moderated system of the modified DCA core. From these experiments, it was confirmed that the prompt decay constant ({alpha}), which was a index of the sub-criticality, was detected between k{sub eff} = 0.623 and k{sub eff} = 0.870 and the difference of 0.05 - 0.1{Delta}k could be distinguished. The {alpha} values were numerically calculated with 2D transport code TWODANT and monte carlo code KENO V.a, and the results were compared with the measured values. The differences between calculated and measured values were proved ...
Although B-spline techniques have been used to solve two-point boundary value problems with Dirac Hamiltonians for more than 20 years, the treatment of boundary conditions is still a matter of controversy. Spurious, non-physical, solutions are endemic when boundary conditions are not handled correctly. These pathological problems are absent when traditional finite difference methods are used as in computer packages such as GRASP. Accurate approximation using both finite differences and B-splines depends on controlling local approximation errors, and this common property suggests no a priori reason to suppose that B-spline algorithms should be more prone to generate spurious solutions. The relativistic Bloch operators of [24], when added to the Dirac differential operator, permit the construction of a self-adjoint differential operator for the two-point boundary value problem on a finite interval. Approximate solution of this problem exploiting the properties of ...
Dose calculations for radiation arc therapy are traditionally performed by approximating continuous delivery arcs with multiple static beams. For 3D conformal arc treatments, the shape and weight variation per degree is usually small enough to allow arcs to be approximated by static beams separated by 5"0-10"0. But with intensity-modulated arc therapy (IMAT), the variation in shape and dose per degree can be large enough to require a finer angular spacing. With the increase in the number of beams, a deterministic dose calculationmethod, such as collapsed-cone convolution/superposition, will require proportionally longer computational times, which may not be practical clinically. We propose to use a homegrown Monte Carlo kernel-superposition technique (MCKS) to compute doses for rotational delivery. The IMAT plans were generated with 36 static beams, which were subsequently interpolated into finer angular intervals for dose ...
The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and ...
The aim with this project sponsored by Energimyndigheten is to develop a method for calculations of grate boilers fueled by bark. This report describes this project, 'Evaluation Method for Grate Combustion' (EMGC). CFD codes is an engineering tool applicable in the area of the over-grate section called the furnace. This part of the boiler is easy to model for an experienced CFD code user and the results are usually quite satisfactory for evaluating the combustion process in general. Various gas phases reactions and related combustion processes over the burning bed can be simulated including air staging, fuel staging and SNCR. However the simulation needs information of amount and properties of the burning bed products, entering the furnace. The simulation of the in-furnace processes without this information is often just a numerical speculation. A predictive mathematical model based on physical and ...
Signal-to-noise-ratio (SNR) thresholds for microarray data analysis were experimentally determined with an oligonucleotide array that contained perfect match (PM) and mismatch (MM) probes based upon four genes from Shewanella oneidensis MR-1. A new SNR calculation, called signal to both standard deviations ratio (SSDR) was developed, and evaluated along with other two methods, signal to standard deviation ratio (SSR), and signal to background ratio (SBR). At a low stringency, the thresholds of SSR, SBR, and SSDR were 2.5, 1.60 and 0.80 with oligonucleotide and PCR amplicon as target templates, and 2.0, 1.60 and 0.70 with genomic DNA as target templates. Slightly higher thresholds were obtained at the high stringency condition. The thresholds of SSR and SSDR decreased with an increase in the complexity of targets (e.g., target types), and the presence of background DNA, and a decrease in the composition of targets, while SBR remained unchanged ...
1 - Description of program or function: The COOLOD-N2 code provides a capability for the analyses of the steady-state thermal-hydraulics of research reactors. This code is a revised version of the COOLOD-N code, and is applicable not only for research reactors in which plate-type fuel is adopted, but also for research reactors in which rod-type fuel is adopted. In the code, subroutines to calculate temperature distribution in rod-type fuel have been newly added to the COOLOD-N code. The COOLOD-N2 code can calculate fuel temperatures under both forced convection cooling mode and natural convection cooling mode. A 'Heat Transfer package' is used for calculating heat transfer coefficient, DNB heat flux etc. The 'Heat Transfer package' is a subroutine program and is especially developed for research reactors in which plate-type fuel is adopted. In case of rod-type fuel, DNB heat flux is calculated by both ...
Ab initio calculations of the electronic structure were performed for the silver palladium oxide, Ag_2PdO_2, by the full potential mixed linearized augmented plane wave and augmented plane wave plus local orbitals method (mixed LAPW/APW+lo) within the density functional theory and using the generalized gradient approximation (GGA96, Phys. Rev. Lett. 77 (1996) 3865) for the exchange-correlation potential. The lattice parameters were calculated from the ground-state total energy versus volume curve, and are in good agreement with the available experimental results. Our calculations of band structure predicted that the compound Ag_2PdO_2 has indirect band gap, and the Pd 4d states strongly hybridize with the O 2p states all over the valence bands and conduction bands. The valence bands are composed mainly of Ag, Pd 4d states and O 2p states, while the conduction bands consist mainly of the Pd 4d states and ...
A real-time two-dimensional void fraction distribution measurement of gas-liquid two-phase flow was carried out by real-time neutron radiography and real-time image processing. The JRR-3M real-time thermal neutron radiography system and a Musashi dynamic image processing system were used. Image processing methods to calculate two-dimensional and cross-sectional void fraction distributions were proposed. The void fraction distribution was calculated by non-linear processing of the neutron radiography image and displayed by pseudo-color in real-time. A simple gas-liquid two-phase flow induced by injecting gas through needles at the bottom of water pool in a rectangular vessel was tested. (orig.).
In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.
Abstract Questions: How important is the choice of flow routing algorithm with respect to application of topographic wetness index (TWI) in vegetation ecology? Which flow routing algorithms are preferable for application in vegetation ecology? Location: Forests in three different regions of the Czech Republic. Methods: We used vegetation data from 521 georeferenced plots, recently sampled in a wide range of forest communities. From a digital elevation model, we calculated 11 variations of TWI for each plot with 11 different flow routing algorithms. We evaluated the performance of differently calculated TWI by (1) Spearman rank correlation with average Ellenberg indicator values for soil moisture, (2) Mantel correlation coefficient between dissimilarities of species composition and dissimil...
We performed hybrid-DFT calculations for La2/3?xLi3xTiO3 (LLT) with lithium ion conductivity, in order to investigate the detailed lithium ion conductive mechanism from the viewpoint of molecular orbital (MO) method. It was concluded that the very ionic lithium ion in bottleneck accelerates the lithium ion conduction. The calculated MO shows no chemical bonding between lithium ion and other ions. In comparison with the perovskite-type trivalent titanium oxide of LaTiO3, the effect of the titanium's reduction was also investigated. We showed the possibility of the high lithium conductivity in LaTiO3.
A method is proposed for evaluating reliability of planning and calculation of the reliability factor with current planning of open pit mining operations. For a quantitative evaluation of the reliability of fulfilling the planned assignment, laws were defined for distribution of the quality characteristics of the coal. After establishing that coal ash content follows the normal distribution law, the probability was defined that the actual output of coal is greater or equal to the planned. Calculation of the factor of reliability of the current planning of open mining operations makes it possible to determine the optimum planning for this period and the probability of fulfillment of the planned assignments. The technique of planning with regard for reliability makes it possible to select the most reliable variant of the plan within the planning period.
The extraction-spectrophotometric method has been used to study lanthanoid ion complexing (Pr, Nd, Ho and Er) with antipyrine (Ant) and salicylic acid (Sal). The component relationship in different-ligand compounds Ln:Aut:Sal=2:3:6 and solvate number equal to 5 are determined; molar extinction coefficients of binary and different-ligand compounds are calculated. Oscillator strengths of absorption bands corresponding to supersensitive transitions of neodymium, holmium, erbium and some most intensive praseodymium bands are calculated. The study of IR spectra of investigated compounds allows to conclude on formation of coordination bonds of the central atom with the antipyrine molecule through the oxygen of the carbonyl group as well as on carboxyl group hydrogen substitution for metal and formation of coordination bond with OH group in salicylic acid molecules.
A self-consistent pseudopotential method together with a mixed-basis set of plane waves and Gaussian orbitals are used to determine the electronic structure of the (001) surface of molybdenum. The pseudopotential is derived from a self-consistent calculation of the atomic levels and wave functions, and is tested for bulk molybdenum. The resulting bulk band structure and density of states are compared with existing augmented-plane-wave APW calculations. The same potential is applied to investigate the electronic structure of an uncontracted Mo (001) surface. A complete analysis of the surface states is given in terms of their distribution in the two-dimensional surface Brillouin zone, charge-density distribution, and the local density of states. The results are in very good agreement with recent photoemission measurements.
A numerical package called RESID has been assembled to calculate the residual stresses in VAWT blades induced during cold forming. Using a strength of materials - elementary beam theory approach, RESID models the material response with a bilinear stress-strain curve, and the cross-sectional geometry with an array of area increments. Through an iterative solution procedure residual stresses are predicted for a specified final radius of curvature or applied bending moment. RESID results are compared to theoretical solutions for simple geometries and with MARC Finite element results for VAWT blade geometries. Calculating residual stress levels, determining acceptable residual stress levels, and a method of reducing residual stresses are discussed. A complete listing and sample run are included in the appendicies.
A `step-by-step' method was used to develop a simplified procedure for calculating pesticide residue levels on fruit at harvest by considering the application of the compound and the relevant routes of loss. The model is applicable to cases where the most important exposure route is by direct spray to the canopy of the crop and where uptake into the plant by the roots can be disregarded. The exposure dose is calculated by considering the proportion of total crop cover represented by the fruits. The loss processes considered are photodegradation, uptake, volatilization and washoff. The outputs of the model were compared with measured residues of pesticides on pear. Analysis of the model fit demonstrates that the model predicted the measured data with a good level of accuracy for four of sev...
Neutron energy spectra were measured for two OSURR experimental facilities. The method of multiple foil activation was used with the SAND-II neutron spectrum unfolding code to obtain spectral data for the Central Irradiation Facility and Rabbit tube. Limited data was obtained for the thermal column using only gold foils. Calculations were made of the neutron environment in various locations using the MORSE code. A shift towards higher neutron energies was observed comparing results for LEU and HEU cores. A slight loss in total thermal neutron flux was measured for all positions. Calculational results show reasonable agreement with measured data.
The relaxations of the Ti(0001) and Zr(0001) surfaces are studied using the plane-wave-basis pseudopotential method within the local-density approximation. We find that the first interlayer spacings of Ti(0001) and Zr(0001) are contracted with respect to the bulk spacings by 6.8% and 6.1%, respectively. Such large relaxations for the close-packed surfaces of Ti and Zr are in good agreement with recent linear-augmented-plane-wave calculations. In addition, we predict a weak vibrational effect on the surface relaxation of Zr(0001) by considering the free energy in the quasiharmonic approximation. This result can be attributed to a very strong bonding between the first- and second-layer Zr atoms as a consequence of the bond-order endash bond-length correlation. copyright 1997 The American Physical Society.
The electronic structure and optical properties in tetragonal ceramics PbTiO_3, are studied by using full-potential linearized augmented plane wave method in density functional theory with the generalized gradient approximation by WIEN2K package. The theoretical calculated optical properties and energy loss spectrum yield a static refractive index of 2.59 and a plasmon energy of 22.7eV for the tetragonal phase. The effective electron number at low energy saturates near 22-23eV with the value of 50 for the effective electron number. The results show a indirect band gap of 2.2eV at the I' point in the Brillouin zone. The :calculated band structure and density of states of PbTiO_3 agree with previous experimental and theoretical results.
In this article we model a Global Navigation Satellite System (GNSS) in a Schwarzschild space-time, as a first approximation of the relativistic geometry around the Earth. The closed time-like and scattering light-like geodesics are obtained analytically, describing respectively trajectories of satellites and electromagnetic signals. We implement an algorithm to calculate Schwarzschild coordinates of a GNSS user who receives proper times sent by four satellites, knowing their orbital parameters; the inverse procedure is implemented to check for consistency. The constellation of satellites therefore realizes a geocentric inertial reference system with no \\emph{a priori} realization of a terrestrial reference frame. We show that the calculation is very fast and could be implemented in a real GNSS, as an alternative to usual post-Newtonian corrections. Effects of non-gravitational perturbations on positioning errors are assessed, and ...
Electronic structure calculations frequently invoke periodic boundary conditions to solve for electrostatic potentials. For systems that are electronically charged, or contain dipole (or higher) moments, this artifice introduces spurious potentials due to the interactions between the system and multipole moments of its periodic images in aperiodic directions. I describe a method to properly handle the multipole moments of the electron density in electronic structure calculations using periodic boundary conditions. The density for which an electrostatic potential is to be evaluated is divided into two pieces. A local density is constructed that matches the desired moments of the full density, and its potential computed treating this density as isolated. With the density of this local moment countercharge removed from the full density, the remainder density lacks the troublesome moments and its electrostatic potential can be ...
The interaction energies between the different types of bases of a single strand of DNA molecule have been calculated. Using these original values of energies the harmonic behavior of a number of base patterns of DNA has been studied. In view of the great interest aroused by the discovery of the role of the telomere segment of the DNA in the replication process and its possible link with the aging process, we have investigated, with simple models, the harmonic behavior of the telomeric pattern of bases as well as the thermodynamic response in the biological system. With these results a conclusion on the probable role of the telomeric pattern on aging has also been drawn. Here the calculated values of harmonic frequencies of the telomeric pattern of bases and of other possible patterns show that the telomeric pattern is associated with the highest vibrational frequency among all patterns of base combinations at the replication end of DNA. This ...
In the Introduction the history of the cascade probabilistic method development is described. The calculation model for different charged particles cascade probabilistic functions (CPF) was considered. A new analytical expressions for CPF for electrons, protons, alpha-particles and ions are obtained as well. A new results on mathematical analysis, algorithms, and calculation of CPF with taking into account charged particles energy losses on computer are cited. The peculiarities of these functions are analyzed. The detail analysis of these function behavior in relation from flying particles energy, target atomic number, generation and registration depth, and interactions number is carried out. The program packages in the Windows medium is developed on the visual programming languages: Visual Basic 6.0, Delphi 6.0, C++ Builder 6.0.
The HEU and LEU fuel elements used in the ORR whole-core demonstration were gamma-scanned to determine the axial distribution of the {sup 140}La and {sup 137}Cs activities. Analysis of this data is now complete. From the {sup 140}La activity distributions cycle-averaged powers were determined while the {sup 137}Cs data provided a measure of the final {sup 235}U burnup in the fuel elements. A method for calculating correction factors for activity gradients transverse to the fuel element axis is presented and is applied to the first mixed core used in the demonstration during the gradual transition to an all LEU core. Results based on the gamma-scanning of the LEU fuel followers are also presented. Improved burnup calculations against which the experimental results are to be compared are now in progress. 7 refs., 21 figs., 3 tabs.
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.
The problem of electrical parameters identification in complex systems, and in particular in electric railway traction systems, is considered. Parameters are determined by an indirect approach: only the terminal variables (voltages and currents and, impedance and admittance, which can be readily calculated) are measured and the per-unit-length electrical parameters are determined using a multiconductor transmission line model of the track section under test. It will be shown that some parameters cannot be measured directly, that they are not constant with frequency and that they may depend on other external conditions. An indirect method for parameters identification is proposed through an adaptive algorithm (AA), so that the calculated terminal variables match the measured ones. The AA is...
From the first principles total energy calculations based on full-potential linear augmented plane wave method (FPLAPW), the elastic properties of XPt_3 (X=V, Cr, Mn, Fe, Co, Ni) are reported here. Theoretical values of Young's modulus, shear modulus, Poisson's ratio and Debye temperature are estimated from the computed elastic constants. From the analysis of the ratio of shear to bulk modulus, it is found that these intermetallic compounds are ductile in nature except CrPt_3, which is brittle. The calculated results are compared with other reported values.
Fuel elements used in the ORR whole-core LEU fuel demonstration have been gamma-scanned to determine axial distributions of UZLa and TXCs fission product activities. This data has been analyzed to determine cycle-averaged fuel element powers, residual STVU masses, and burnups of discharged fuel elements. Methods used to analyze the data are discussed and results are presented for the LEU fuel elements. Measured and calculates fuel element powers agree to within 5%, residual STVU masses to within 2%, and burnups to within 3%. These results are somewhat preliminary and await improved burnup calculations and independent calibration data to be based on the destructive analyses of a number of irradiated fuel elements. 4 refs., 7 figs., 3 tabs.
IntroductionMost clinical studies on the outcome of apical surgery concentrate on periapical healing based on radiographic and clinical characteristics (signs and symptoms). This study focuses on long-term changes in periodontal parameters after apical surgery. MethodsPeriodontal parameters (ie, probing depth [PD], level of gingival margin [GM], and calculated clinical attachment level [CAL]) were collected at baseline and at 1 and 5 years after apical surgery. Changes in PD, GM, and CAL were calculated over time and were also evaluated in relation to patient-, tooth-, and treatment-related covariables. ResultsOne hundred eighty-six of 242 initially identified teeth could be evaluated. Significant changes in GM and CAL were observed at facial sites during the first year after surgery (mean...
The electronic structures of platinum group elements (Ru, Os, Rh, Ir, Pd, and Pt) silicides have been calculated. Ir{sub 3}Si{sub 5} is a semiconductor with the direct gap of 1.14 eV. Among monosilicides, RuSi and OsSi with the FeSi-type structure are semiconductors with the gap values of 0.21 and 0.41 eV but RhSi, IrSi, PdSi, and PtSi with the MnP-type structure are metals. No semiconducting compounds can be found in other platinum group elements silicides other than known Ru{sub 2}Si{sub 3}, Os{sub 2}Si{sub 3}, and OsSi{sub 2}.
The electronic structures of platinum group elements (Ru, Os, Rh, Ir, Pd, and Pt) silicides have been calculated. Ir_3Si_5 is a semiconductor with the direct gap of 1.14 eV. Among monosilicides, RuSi and OsSi with the FeSi-type structure are semiconductors with the gap values of 0.21 and 0.41 eV but RhSi, IrSi, PdSi, and PtSi with the MnP-type structure are metals. No semiconducting compounds can be found in other platinum group elements silicides other than known Ru_2Si_3, Os_2Si_3, and OsSi_2.
By ab-initio calculation we show that the (Ga,Fe)N ground state may be changed from anti-ferromagnetic to ferromagnetic by acceptor defect like Ga vacancies. The electronic structures are calculated by using the Korringa-Kohn-Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that we can increase the magnetic moment of Fe in p-type GaN by oxygen co-doping. Mechanism of exchange interactions between magnetic ions in p-type (Ga,Fe)N is also studied. The effect of external magnetic field on the electronic structure of (Ga, Fe)N and p-type (Ga, Fe)N is investigated.
Purpose: In this paper, we present an alternative to the originally proposed technique for the delivery of spatially fractionated radiation therapy (GRID) using multi-leaf collimator (MLC) shaped fields. We employ the MLC to deliver various pattern GRID treatments to large solid tumors and dosimetrically characterize the GRID fields. Methods and materials: The GRID fields were created with different open to blocked area ratios and with variable separation between the openings using a MLC. GRID designs were introduced into the Pinnacle3 treatment planning system, and the dose was calculated in a water phantom. Ionization chamber and film measurements using both Kodak EDR2 and Gafchromic EBT film were performed in a SolidWater phantom to determine the relative output of each GRID design as w...
We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...
We suggest a procedure for estimating uncertainties in neutron cross sections calculated with a nuclear model descriptive of a specific mass region. It applies standard error propagation techniques, using a model-parameter covariance matrix. Generally, available codes do not generate covariance information in conjunction with their fitting algorithms. Therefore, we resort to estimating a relative covariance matrix a posteriori from a statistical examination of the scatter of elemental parameter values about the regional representation. We numerically demonstrate our method by considering an optical-statistical model analysis of a body of total and elastic scattering data for the light fission-fragment mass region. In this example, strong uncertainty correlations emerge and they conspire to reduce estimated errors to some 50% of those obtained from a naive uncorrelated summation in quadrature. 37 references.
A conformational analysis of ethyl azidoformate (EAF) has been carried out by the MINDO/3 quantum-chemical method. It has been shown that EAF exists in the form of two conformers differing with respect to rotation around the C-N bond. Complete optimization of the geometry has been carried out for both conformers. It has been found that the transoid conformation is planar and that the cisoid conformation is nonplanar. The height of the rotation barrier is 15.4 kcal/mole. The optimal geometry of the transition state has been calculated. It has been noted that a significant role in the mechanism of the conformational transition is played by the inversion of a nitrogen, which facilitates the transition. The results of the calculation have been confirmed by IR-spectroscopic data.
This paper describes the study of particles' dispersion in an isotropic turbulent flow. The particle's motion and the turbulent flow characteristics are calculated independently. While the particles' displacement is computed by the author's code, the flow is simulated with a commercial code : PowerFLOW. The particles and the flow are coupled through the relative velocity component of the aerodynamic force. When the simulated flow is turbulent, a turbulence regeneration model is used in order to get the flow instantaneous velocity. Validation of the method is done by comparing the particles' dispersion obtained with experimental results from literature and with the results calculated by FLUENT. Good accordance is found between numerical studies and experimental results. However, comparison between results of PowerFLOW coupled to the author's code and results from FLUENT shows differences when the particle's path goes through ...
From self-consistent band structure calculations using the 'augmented plane wave'(APW) method, the density of states can be decomposed into local partial (according to azimuthal quantum number l) components, the l-character densities. Within the APW formalism the intensity of X-ray emission spectra is determined by radial transition probabilities and l-character densities of such valence states, which reside inside the same atomic sphere as the core vacancy and whose quantum number l differs by +-1 from the one corresponding to the core state. By taking into account lifetime broadening of the core and valence states and also the instrumental broadening the computed spectra (non-metal K-, vanadium K- and Lsub(III)-spectra) agree well with experiment. (orig.).
This paper offers a conceptually straightforward method for the calculation of stresses in polarisable media based on the notion of a drive form and its property of being closed in spacetimes with symmetry. After an outline of the notation required to exploit the powerful exterior calculus of differential forms, a discussion of the relation between Killing isometries and conservation laws for smooth and distributional drive forms is given. Instantaneous forces on isolated spacetime domains and regions with interfaces are defined, based on manifestly covariant equations of motion. The remaining sections apply these notions to media that sustain electromagnetic stresses, with emphasis on homogeneous magnetoelectric material. An explicit calculation of the average pressure exerted by a monochromatic wave normally incident on a homogeneous, magnetoelectric slab in vacuo is presented and the concluding section summarizes how ...
We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete description of the kinetics both in the aqueous solution and at the interface, deriving all equations from a free-energy functional. It also provides a general method to calculate dynamic surface tensions. For non-ionic surfactants the results coincide with previous models. Common non-ionic surfactants are shown to undergo diffusion-limited adsorption, in agreement with experiments. Strong electrostatic interactions in salt-free ionic surfactant solutions are found to lead to kinetically limited adsorption. In this case the theory accounts for unusual experimental results which could not be understood using previous approaches. Added salt screens the electrostatic interactions and makes the ionic surfactant adsorption similar to the non-ionic case. The departure from the non-ionic behavior as the salt concentration ...
Ab initio planewave pseudopotential method is used to study carbon diffusion and pairing in crystalline silicon. The calculation is performed with a 40 Ry planewave cutoff and 2x2x2 special k-point sampling with a supercell of 64 atoms. It is found that substitutional carbon attracts interstitial Si forming a <001> C interstitial with a large binding energy of 1.45 eV. The interstitial carbon is mobile and can migrate with a migration energy of 0.5 eV. The interstitial carbon can bind further to another substitutional carbon forming a substitutional carbon-interstitutional carbon pair with a binding energy of 1.0 eV. This model is used to understand the effect of high C concentration on the transient enhanced diffusion in Si.
In this paper a new fuzzy decision-making procedure is developed. Two levels of weightings, called upper and lower weights, are proposed to calculate the fuzzy weightings of different criteria. The preference table is introduced to calculate the upper and lower weights. Also a new method is developed to determine the expected preference values of different alternatives. These values are used for generating the priority list of alternatives. The procedure is applied for providing an emergency electric power distribution, scheduling time table. The IEEE 14-bus standard system and a 14-bus system with four power plants are considered as case studies. Using fuzzy decision-making procedure, the regions with more priorities are more connected to the distribution net, while the maximum consumption criterion is also reasonably respected. (author)
Dy doped #alpha#-SiAlON ceramics prepared by the hot-pressing method show a high optical transmittance value, >70%, in the infrared region of 1.5-4.5 #mu#m. First principles calculations have been carried out to reveal the underlying transparency mechanism. It is found that the valence shell of doped Dy atoms interacts strongly with the doping states of #alpha#-SiAlON, resulting in the increase in the optical gap from 0.4 to 1.1 eV, which suppresses the photoabsorption in the wavelength region longer than 1.0 #mu#m and leads to the good transparency property. The calculated optical transmission spectra are in good agreement with the corresponding experiments.
The {sup 252}Cf-source-driven noise analysis method has been used in measurements for subcritical configurations of fissile systems for a variety of applications including a dynamic measurement that was the first step in applying this method to monitor fuel in a future reprocessing plant These measurements showed that this method has potential to monitor many dynamic situations in processing plants such as in a continuous dissolver or batch dissolvers either to obtain the neutron multiplication factor k or to be used as a signature to verify that various processes are occurring in a repeatable or bounded way. This verification of normal operation would be by comparing noise analysis signatures for the process with reference signatures. Abnormal operation could be ascertained if the signature deviates by some specified amount from the reference signatures from normal operation. The deviations from normal could be specified ...
The current trend towards the increased use of risk assessment in the regulation of nuclear power plants will inevitably result in changes in the analysis of fire protection systems and the methods of analysis. Before fire protection can be regulated on a risk basis, a consensus must be reached on a number of issues. One key issue is what types of computational tools will be allowable for analyzing fire events, and what types of scenarios those tools will be approved for use. Reaching this consensus will require an understanding of the types of computational tools available and their inherent advantages and disadvantages. To aid with this understanding, three different methods of fire simulation are applied to an oil pool fire test in the HDR (Heiss Dampf Reaktor) containment test facility. These methods are a hand calculation, the zone model code CFAST (Consolidated Model of Fire Growth and Smoke ...
Gas-solid chromatography was used to determine the Henry`s law second gas-solid virial coefficients within the temperature range of 314--615 K for ethane, propane, butane, isobutane, pentane, hexane, heptane, chloromethane, dichloromethane, trichloromethane, tetrachloromethane, trichlorofluoromethane (Freon 11), chlorodifluoromethane (Freon 22), dichlorodifluoromethane (Freon 12), methyl ether, ethyl ether, and sulfur hexafluoride with Carbopack B, a microporous carbon adsorbent. The temperature dependence of the second gas-solid virial coefficients of these adsorbates was used in conjunction with analyses based on a graphical method, a single-surface numeric integration method, a single-surface analytic expression method, and a two-surface analytic expression method to determine the gas-solid interaction energies and other parameters. The interaction energies were correlated with a ratio of the ...
Much research has been done to estimate the residual stress on a dissimilar metal weld. There are many methods to estimate the weld residual stress and FEM (Finite Element Method) is generally used due to the advantage of the parametric study. And the X-ray method and a Hole Drilling technique for an experimental method are also usually used. The aim of this paper is to develop the appropriate FEM model to estimate the residual stresses of the dissimilar overlay weld pipe. For this, firstly, the specimen of the dissimilar overlay weld pipe was manufactured. The SA 508 Gr3 nozzle, the SA 182 safe end and SA376 pipe were welded by the Alloy 182. And the overlay weld by the Alloy 52M was performed. The residual stress of this specimen was measured by using the Neutron Diffraction device in the HANARO (High-flux Advanced Neutron Application ReactOr) research reactor, KAERI (Korea Atomic Energy Research ...
First structural wall material (FSW) materials in inertial fusion energy (IFE) power reactors will be irradiated under typical repetition rates of 1-10 Hz, for an operation time as long as the total reactor lifetime. The main objective of the present work is to determine whether a continuous-pulsed (CP) approach can be an efficient method in modeling the pulsed activation process for operating conditions of FSW materials. The accuracy and practicability of this method was investigated both analytically and (for reaction/decay chains of two and three nuclides) by computational simulation. It was found that CP modeling is an accurate and practical method for calculating the neutron-activation of FSW materials. Its use is recommended instead of the equivalent steady-state method or the exact pulsed modeling. Moreover, the applicability of this method to components ...
Three popular imaging methods were used to carry out seismic migration from the Alberta foothills: Kirchhoff integral, reverse-time and explicit finite-difference migration methods. The imaging comparisons of reverse-time, Kirchhoff and f-x post-stack depth migration leads to the following conclusions. All of the three migration methods can provide acceptable and well-imaged intermediate results on the simplest model. Post-stack migration was not very sensitive to the accuracy of the velocity field once a reliable structural stack was available. With respect to the imaging accuracy and calculation cost, the Kirchhoff migration method seemed to be superior to reverse-time and f-x migration algorithms because its results on different kinds of velocity cases were basically kept coherent and consistent with the velocity model given by Mobil. Because of the lack of an accurate velocity ...
Three popular imaging methods were used to carry out seismic migration from the Alberta foothills: Kirchhoff integral, reverse-time and explicit finite-difference migration methods. The imaging comparisons of reverse-time, Kirchhoff and f-x post-stack depth migration leads to the following conclusions. All of the three migration methods can provide acceptable and well-imaged intermediate results on the simplest model. Post-stack migration was not very sensitive to the accuracy of the velocity field once a reliable structural stack was available. With respect to the imaging accuracy and calculation cost, the Kirchhoff migration method seemed to be superior to reverse-time and f-x migration algorithms because its results on different kinds of velocity cases were basically kept coherent and consistent with the velocity model given by Mobil. Because of the lack of an accurate velocity ...
There are several approaches to describe flows with particles e.g. Lattice-Gas Automata (LGA), Lattice-Boltzmann method (LBM) or smoothed particle hydrodynamics (SPH). These approaches do not use fixed grids on which the Navier-Stokes equations are solved via e.g. finite volume method. The flow is simulated using a multitude of particles or particle density distributions, which interacts and due to statistical laws and an even more fundamental approach than the Navier-Stokes equation, the averaged flow variables can be derived. After a short summary of the most popular particle methods the new DMPC (Dissipative Multiple Particles Collision) approach will be presented. The DMPC-model eliminates some of the weak points of the established particle methods and shows high potential for more accurate CFD solution especially in areas where standard CFD tools still have problems (e.g. aero-acoustics). The ...
We are developing a laterally variable velocity model of the crust and upper mantle across Eurasia and North Africa to reduce event location error by improving regional travel-time prediction accuracy. The model includes both P and S velocities and we describe methods to compute travel-times for Pn, Sn, Pg, and Lg phases. For crustal phases Pg and Lg we assume that the waves travel laterally at mid-crustal depths, with added ray segments from the event and station to the mid crustal layer. Our work on Pn and Sn travel-times extends the methods described by Zhao and Xie (1993). With consideration for a continent scale model and application to seismic location, we extend the model parameterization of Zhao and Xie (1993) by allowing the upper-mantle velocity gradient to vary laterally. This extension is needed to accommodate the large variation in gradient that is known to exist across Eurasia and North African. Further, we extend the linear ...
The energy spectra of energetic confined alpha particles are being measured using the pellet charge exchange method [R. K. Fisher, J. S. Leffler, A. M. Howald, and P. B. Parks, Fusion Technol. 13, 536 (1988)]. The technique uses the dense ablation cloud surrounding an injected impurity pellet to neutralize a fraction of the incident alpha particles, allowing them to escape from the plasma where their energy spectrum can be measured using a neutral particle analyzer. The signal calculations given in the above-mentioned reference disregarded the effects of the alpha particles' helical Larmor orbits, which causes the alphas to make multiple passes through the cloud. Other effects such as electron ionization by plasma and ablation cloud electrons and the effect of the charge state composition of the cloud, were also neglected. This report considers these issues, reformulates the signal level calculation, and uses a Monte-Carlo ...
The CALPHAD (calculations of phase diagrams) method is used to examine the effects of applied magnetic fields on the {alpha}/{gamma} phase boundary in the Fe-Si system in the paramagnetic state. The reported susceptibility data for pure Fe is first re-evaluated. The contributions to the total Gibbs energy of the ferrite ({alpha}) and austenite ({gamma}) from the external fields are calculated based on the Curie-Weiss law and the re-evaluated susceptibility data. The Fe-Si phase diagram on the Fe-rich side as a function of applied field is calculated using the Thermo-Calc(TM) package. With increasing field strength, the {gamma} loop shrinks monotonically; that is, the {alpha}/{gamma}-Fe transition temperature increases while that for {gamma}/{delta}-Fe transition decreases, albeit more slowly. Finally, in conformance with the existing CALPHAD databank, Redlich-Kister polynomials are proposed to account ...
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 954eV for Mg. We report the geometric structures of the resulting ground-state configurations and a few low-lying isomers. The energetics and ...
Since the earliest papers on undulaters were published, it has been known how to calculate the spontaneous emission spectrum from ''short'' undulaters when the magnetic field strength parameter is small compared to unity, or in ''single'' frequency sinusoidal undulaters where the magnetic field strength parameter is comparable to or larger than unity, but where the magnetic field amplitude is constant throughout the undulater. Fewer general results have been obtained in the case where the insertion device is both short, i.e., the magnetic field strength parameter changes appreciably throughout the insertion device, and the magnetic field strength is high enough that ponderomotive effects, radiation retardation, and harmonic generation are important physical phenomena. In this paper a general method is presented for calculating the radiation spectrum for ...
Nuclear Hartree-Fock (HF) + BCS calculations have led to predictions of shape isomerism in isotopes of Pt, Hg and Os nuclei. These have been confirmed through the observation of superdeformed rotational bands in {sup 190,{hor ellipsis},194}Hg. Encouraged by these measurements and similar observations in {sup 194}Pb, we have extended these calculations to a wide range of contiguous nuclei. These HF results, for {sup 192,194}Pt, {sup 190,{hor ellipsis},198}Hg and {sup 194}Pb, have been employed in a Generator Coordinate Method (GCM) calculation utilizing the quadrupole deformation as the generating variable. The resulting spectra confirm the conclusions drawn from the HF results and agree with those experiments which have been performed. Adding a phenomenological assumption for the moments of inertia of our GCM states, we can construct the radiative transitions within and out of the superdeformed band. ...
Purpose: calculation of conversion coefficients for the reconstruction of organ doses from entrance doses for abdomen radiographs of 0, 1, 5, 10, 15, and 30-year-old patients in conventional pediatric radiology for the radiographic settings recommended by the German and European guidelines for quality management in diagnostic radiology. Materials und method: using the commercially available personal computer program PCXMC developed by the Finnish Center for Radiation and Nuclear Safety (Saeteilyturvakeskus STUK), conversion coefficients for conventional abdomen radiographs were calculated performing Monte Carlo simulations in mathematical hermaphrodite phantom models describing patients of different ages. The possible clinical variation of beam collimation was taken into consideration by defining optimal and suboptimal radiation fields on the phantoms' surfaces. Results: conversion coefficients for the ...
Five corrosion probes were received from West Valley Nuclear Services for evaluation in simulated tank 8D-2 3rd-stage sludge wash slurry. The same waste slurry simulated was also used in a series of ongoing corrosion studies assessing the effects of in-tank sludge washing on the integrity of tank 8D-2. Two of the corrosion probes were installed in the coupon corrosion test vessels operating at {approximately}150{degrees}F to compare performance of the probes with that observed by coupon tests conducted in the same vessels. Corrosion rate data calculated from electrical resistance measurements of the corrosion probes were evaluated for this study using two slightly different approaches. One approach uses the total length of exposure of the probe to give a ``time-averaged`` value of the corrosion rate. The other approach uses a shorter period of time (relative to the length of the test) in the calculation of corrosion rate, and is referred to as ...
The purpose of this report is to summarize the assumptions, dose factors, consumption rates, and methodology used to evaluate potential radiation doses to persons who may eat contaminated wildlife or contaminated plants collected from the Hanford Site. This report includes a description of the number and variety of wildlife and edible plants on the Hanford Site, methods for estimation of the quantities of these items consumed and conversion of intake of radionuclides to radiation doses, and example calculations of radiation doses from consumption of plants and wildlife. Edible plants on the publicly accessible margins of the shoreline of the Hanford Site and Wildlife that move offsite are potential sources of contaminated food for the general public. Calculations of potential radiation doses from consumption of agricultural plants and farm animal products are made routinely and reported annually for those produced offsite, ...
Systematic analysis of the energy level schemes, ground state absorption (GSA) and covalency effects for the Ni"2"+ ion in Ca_3Sc_2Ge_3O_1_2 was performed. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron method (DV-ME) [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. As a result, complete energy level schemes of Ni"2"+ and its absorption spectra at both possible crystallographic positions (distorted octahedral Sc"3"+ and tetrahedral Ge"4"+ positions) were calculated, assigned and compared with experimental data. Energies of the charge transfer (CT) transitions for both positions are estimated. Numerical contributions of all possible electron configurations into the calculated energy states were determined. By performing analysis of the molecular ...
Cu"2"+ ions are alternatively bridged by end-on and asymmetrical end-to-end (EE) azido groups in copper (II)-azido compound [#left brace#Cu(L)(N_3)_2#right brace#_n] (L=benzylamine). The electronic structure of its ferromagnetic ground state has been calculated using the self-consistent full-potential linearized augmented plane wave method based on the density functional theory. The spin populations have been found to be strongly positive on the Cu"2"+ ions, weakly positive on the terminal nitrogen atoms of the azido groups as well as on the nitrogen atoms of the benzylamine, and feeble on the central nitrogen atoms of the azido groups. Based on the spin distribution obtained from calculation, the ferromagnetic coupling through the azido groups has been analyzed as resulting from a spin delocalization from the Cu"2"+ ions toward the azido groups. But the result also indicates that the spin polarization effect may also take ...
The thermal contact resistance between balls and inner and outer rings of thermally steady space-use deep groove ball bearings was studied experimentally to verify the validity of the previously proposed calculationmethod for the resistance. The 440C stainless steel single row bearing was used for measuring its steady state temperature distributions in a vacuum environment under axial, radial and combined load conditions. As a result, the experimental results of the resistance well agreed with calculated ones under each load condition resulting in the sufficient validity at nearly the same surface roughness. It was necessary to apply a static equivalent radial load to calculation under the combined load that a contact angle is larger than the angle of resultant force dependent on both load components. In experiments under only radial load, measurement of outer ring temperatures was necessary at some ...
The technology of minor actinide recycling in fast reactors has been discussed. In CEA, the feasibility study on Am once-through recycling in Phenix core with the moderated target subassemblies (S/As) has been performed. In this report, the evaluation of the heterogeneity effect on the moderated target S/As is described. It was evaluated by the calculation with the continuous energy Monte-Carlo code, MVP, because the accuracy of the deterministic method for the moderated target S/As is unknown. The reaction rates of four isotopes (Am-241, Am-242, Am242m and Am-243) calculated with the heterogeneous model and the homogeneous one were compared. These four isotopes play the important role in Am incineration. It is seen that the homogeneous model overestimates the reaction rates of Am-241 and Am-243 by 4 - 13%, and underestimates those of Am-242 and Am-242m by 13 - 23%. Further investigation made it clear that the ...
Total thermal resistance of ground heat exchanger (GHE) is comprised of that of the soil and inside the borehole. The thermal resistance of soil can be calculated using the linear source theory and cylindrical source theory, while that inside the borehole is more complicated due to the integrated resistance of fluid convection, and the conduction through pipe and grout. Present study evaluates heat exchange rate per depth of GHE by calculating the total thermal resistance, and compares different methods to analyze their similarities and differences for engineering applications. The effects of seven separate factors, running time, shank spacing, depth of borehole, velocity in the pipe, thermal conductivity of grout, inlet temperature and soil type, on the thermal resistance and heat exchange rate are analyzed. Experimental data from several real geothermal heat pump (GHP) applications in Shanghai are used to validate the ...
Simple correlations and corresponding nomographs are presented, which express the maximum useful heat received from salt-gradient solar ponds throughout the year or during a specified season of the year, and the corresponding optimum depth of the nonconvective zone in terms of the thickness of the upper convective zone and the temperature under which the maximum useful heat is received. The correlations are valid for the Athens (Greece) area or for regions with a similar climate, because solar radiation and ambient temperature values for Athens have been employed, obtained by a statistical process of hourly measurements over a period of about 20 years. For other climates, it is easy to develop similar correlations using the same methodology, Development of the proposed correlations is based on a method, which simulates the transient operation of the salt-gradient pond using finite-differences, and calculates the useful heat received hourly ...
CT-Expo is a novel MS Excel application for assessing the radiation doses delivered to patients undergoing CT examinations, based on computational methods that were used to analyze the data collected in the German survey on CT practice in 1999. The program enables the calculation of all dose quantities of practical value, such as axial dose free-in-air, weighted CTDI, dose-length product, effective dose and uterine dose. In contrast to existing programs for CT dose assessment, CT-Expo offers a number of unique features, such as gender-specific dose calculation for all age groups (adults, children, newborns), applicability to all existing scanner models including correction of scanner-specific influences, and the possibility of comparison with the results from the German CT survey on CT practice. Three different application modules offer free and standardized dose calculations as well as a comprehensive ...
The super simulator 'SAMPSON' has been developed to show that there exist certain safety margins for light water reactors under hypothetical severe accidents and to investigate realistic measures of accident management by simulating accidents with a parallel computer. Heat-up of fuel rods and release of fission products from fuels are important factors to evaluate source terms. Models for fuel rod heat-up, hydrogen production due to cladding oxidation and cladding deformation and failure in the core region have been developed in the fuel rod heat-up analysis module. Fuel temperatures were calculated by solving the heat conduction equation. The calculated results for fuel temperature and hydrogen production were compared with CORA-13 experiment results. The comparisons showed prediction capability for the heat-up of fuel rods. The fission product release analysis module incorporates with models for fission product transport within fuel pellets, ...
Debris coolability in the lower plenum of the reactor pressure vessel is an important factor for evaluation of debris in-vessel retention. The debris coolability analysis module is developed for the accurate prediction of the safety margin of the present reactor vessels in a severe accident. The module calculates debris spreading and cooling through melting and solidification in combination with a temperature distribution and failure evaluation of the vessel wall. Debris spreading is solved by the explicit method on a quasi-three-dimensional scheme and debris coolability is solved on the basis of natural convection analysis. The calculation for spreading is compared with a water spreading experiment on the floor and the calculation for coolability is compared with a n-octadecane melting experiment in a rectangular vessel. The comparisons show capabilities for predictions of spearhead transportation in ...
Debris coolability in the lower plenum of the reactor pressure vessel is an important factor for evaluation of debris in-vessel retention. The debris coolability analysis module is developed for the accurate prediction of the safety margin of the present reactor vessels in a severe accident. The module calculates debris spreading and cooling through melting and solidification in combination with a temperature distribution and failure evaluation of the vessel wall. Debris spreading is solved by the explicit method on a quasi-three-dimensional scheme and debris coolability is solved on the basis of natural convection analysis. The calculation for spreading is compared with a water spreading experiment on the floor and the calculation for coolability is compared with a n-octadecane melting experiment in a rectangular vessel. The comparisons show capabilities for predictions of spearhead transportation in ...
The rate coefficients for the reactions of OH radical with CH3Br and CH2Br2 were measured as functions of temperature using the laser photolysis - laser induced fluorescence method. This data was incorporated into a semiempirical model (Solomon et al., 1992) and a 2D model to calculate the steady-state ozone depletion potentials (ODP) and atmospheri lifetimes, tau, with greatly improved accuracy as compared to earlier studies. The calculated ODPs and tau are 0.65 and 1.7 years and 0.17 and 0.41 years for CH3Br and CH2Br2, respectively, using the semiempirical model. These lifetimes agree well with those calculated using a 2D model. This study better quantifies the ODPs and tau of these species which are needed inputs for discussion of possible regulation of human emissions currently under international considerations. 29 refs.
In this study, adjoint sensitivity theory is developed for equations of two-dimensional steady-state flow in a confined aquifer. Both the primary flow equation and the adjoint sensitivity equation are solved using the Galerkin finite element method. The developed computer code is used to investigate the regional flow parameters of the Leadville Formation of the Paradox Basin in Utah and the Wolcamp carbonate/sandstone aquifer of the Palo Duro Basin in the Texas Panhandle. Two performance measures are evaluated, local heads and velocity in the vicinity of potential high-level nuclear waste repositories. The results illustrate the sensitivity of calculated local heads to the boundary conditions. Local velocity-related performance measures are more sensitive to hydraulic conductivities. The uncertainty in the performance measure is a function of the parameter sensitivity, parameter variance and the correlation between parameters. Given a parameter ...
The real-time dose assessment system under development has been updated and the technology for tracer experiment has been established. The calculation of external gamma dose is the most difficult and time-consuming part of the dose calculations. The characteristics of external gamma exposure have been investigated and the method for reducing the calculation time has been devised. The internal exposure via the ingestion of the contaminated foodstuffs is one of the important pathways to the total radiological exposure. In the emergency, it is necessary to take an action such like food ban to protect the internal exposure. An algorithm for the interface between the real-time system and the food chain model has been provided. The second field tracer experiment over flat terrain has been carried out on a plain in Iksan city in Junrabook-Do. Sequential tracer sampler which can be sampled the tracer gas over ...
A singular stress field can occur at the edge of the joint plane in a thermally or mechanically loaded material compound. This stress field was calculated analytically and was compared with the results from the finite element method. If one of the two partners consists of ceramic material, unstable crack spread starting from faults in this strongly stressed area can lead to failure. In linear elastic material, the behaviour of a crack is clearly described by the stress intensity factors. These can be calculated for a known stress distribution in the uncracked structure by the method of the weight function. The corresponding weight functions for surface cracks parallel to the boundary surface were determined with the aid of suitable reference load cases. The effect of the position of the crack in the compound and the elastic constants of the compound are discussed. For examples, the stress intensity ...
A number of procedures in diagnostic radiology and cardiology make use of long exposures to x-rays from fluoroscopy units. Although numerous studies have been performed to measure or calculate skin dose from these procedures, there have only been a handful of studies to determine the dose to the other organs. This thesis was focused on devising a method to calculate the absorbed dose to underlying tissues and organs. The work was performed in several stages. First, a commercial convolution/superposition-based treatment planning system used in radiation oncology was modified and complemented to make it usable with the low energies of x-rays used in diagnostic radiology. This required generation of energy deposition kernels in the kilovoltage energy range. The kernels were generated using the EGS4 Monte Carlo system of codes and added to the treatment planning system. The treatment planning system was then evaluated for its ...
The error estimation for calculated quantities relies on nuclear data uncertainty information available in the basic nuclear data libraries such as the U.S. Evaluated Nuclear Data File (ENDF/B). The uncertainty files (covariance matrices) in the ENDF/B library are generally obtained from analysis of experimental data. In the resonance region, the computer code SAMMY is used for analyses of experimental data and generation of resonance parameters. In addition to resonance parameters evaluation, SAMMY also generates resonance parameter covariance matrices (RPCM). SAMMY uses the generalized least-squares formalism (Bayes' method) together with the resonance formalism (R-matrix theory) for analysis of experimental data. Two approaches are available for creation of resonance-parameter covariance data. (1) During the data-evaluation process, SAMMY generates both a set of resonance parameters that fit the experimental data and the associated ...
The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher ...
Uranium enrichment by gas centrifugation relies on the pressure diffusion of the isotopes when their gaseous mixture is submitted to the pressure diffusion in the strong radial pressure gradient due to the centrifugal force in a very rapidly rotating cylinder. To compute the isotope separation in a gas centrifuge, the viscous compressible Navier-Stokes equations are solved for the mixture, then the diffusion equations are solved for the isotopes. As far as the separation performance is concerned, the models deal with the steady state of the axi-symmetric gas motion in the rotating cylinder. The numerical tools are briefly presented: first, the MOLINA code which numerically solves the axi-symmetric gas motion in the specific conditions of rapid rotation by use of a change of variables suited to the high density gradient and by use of a Marker And Cell method; then, the diffusion equations solver which uses a Finite Volume method with a mesh ...
The calculation of nominal choke valve size determines the effective capacity for an oil and gas production system. The degree of restriction for the controlling area in the valve is a function of the surrounding geometry. In an orifice plate this is known as the 'velocity of approach' and can be used to determine the meter coefficient (C_m). This paper presents a technique for choke valves, based on the meter velocity of approach parameter, which can be used to predict the Valve Coefficient (C_v) for new trim designs. The prediction method uses a data trend based on a number of flow tests conducted on various trim characteristics. The resultant parametric equation is used to predict the C_v of a new trim geometry. The method relies on experimental data determined per IEC 60534-2-3, with calculations per IEC 60534-2-1. This paper further investigates the effect of varying upstream geometry on C_v for a ...
Electron-excitation cross sections are reported for the 3s "2S#->#3p "2P(h,k) resonance transition in Mg"+ at energies from threshold (4.43 eV) to approximately 9 times threshold (40.0 eV). The electron-energy-loss merged-beams technique used in these measurements is described in detail. In addition, the method of separating contributions of the elastically scattered (Coulomb) and the inelastically scattered electrons in the present Mg"+ case and previously reported Zn"+ results [Phys. Rev. Lett. 67, 30 (1991)] is described. Comparisons in the experimental energy range are made for Mg"+ with the two five-state close-coupling theoretical calculations carried out herein, and with other published close-coupling, distorted-wave, and semiempirical calculations. The present Mg"+ cross sections and Zn"+ cross sections from earlier measurements are tabulated.
In this paper, we report on the analysis of reverse flow in inverted U-tubes of a steam generator under natural circulation condition. The mechanism of reverse flow in inverted U-tubes of the steam generator with natural circulation is graphically analyzed by using the full-range characteristic curve of parallel U-tubes. The mathematical model and numerical calculationmethod for analyzing the reverse flow in inverted U-tubes of the steam generator with natural circulation have been developed. The reverse flow in an inverted U-tube steam generator of a simulated pressurized water reactor with natural circulation in analyzed. Through the calculation, the mass flow rates of normal and reverse flows in individual U-tubes are obtained. The predicted sharp drop of the fluid temperature in the inlet plenum of the steam generator due to reverse flow agrees very well with the experimental data. This indicates that the developed ...
The objective of this study was to develop a method for 3D subtraction CT angiography and to optimize the visualization after semiautomatic segmentation. Ten patients with aneurysms of the abdominal aorta were examined using spiral CT. To reconstruct the vessels, as well as adjacent organs such as the liver and kidneys, one image data volume was acquired before and after injection of the contrast agent. The CT scans were obtained with a Siemens Somatom Plus 4. To improve the results of automatic segmentation, as well as visualization by maximum intensity projection (i.e. removal of bony structures), subtraction of both image volumes is necessary. However, small translation shifts disturb the subtraction process and produce artificial contours. To calculate the disparities along the three coordinate axes of two corresponding image volumes, a cepstrum filter is applied to a pair of image volumes. After detection of the disparities, which manifest ...