International Nuclear Information System (INIS)

To further optimize thermo-hydraulic capability of HCSB-TBM, two different thermo-hydraulic schemes would be proposed and investigated by relevant calculating and simulating of thermo-dynamics in normal and peak heat flux condition. With computational fluid dynamics (CFD) code FLUENT, the actual temperature distribution of key components of HCSB-TBM is simulated. (authors)

Energy Technology Data Exchange (ETDEWEB)

In the present dissertation, a hierarchical multiscale approach for modeling FePt nanoparticles by atomistic computer simulations is developed. By describing the interatomic interactions on different levels of sophistication, various time and length scales can be accessed. Methods range from static quantum-mechanic total-energy calculations of small periodic systems to simulations of whole particles over an extended time by using simple lattice Hamiltonians. By employing these methods, the energetic and thermodynamic stability of non-crystalline multiply twinned FePt nanoparticles is investigated. Subsequently, the thermodynamics of the order-disorder transition in FePt nanoparticles is analyzed, including the influence of particle size, composition and modified surface energies by different chemical surroundings. In order to identify processes that reduce or enhance the rate of transformation from the ...

International Nuclear Information System (INIS)

The first-principles energetics of the constituent elements Ca and Mg and the Mg_2Ca C14 laves phase (C14) in the Ca-Mg binary system were used in the computational thermodynamic modeling, with models for the Gibbs energy of individual phases. C14 was modeled as (Ca,Mg)_2(Ca,Mg)_1 with four end-members. The first-principles calculations were performed using two computer codes: (i) WIEN2K based on the full-potential linearized augmented plane-wave (FLAPW) method and (ii) VASP based on the pseudo-potentials and a plane wave basis set. The total energies of the pure Ca and Mg in the fcc, bcc, and hcp structures, three laves phase structures of Mg_2Ca, and the four end-members of C14 were calculated at 0 K. The enthalpies of formation of the four end-members were obtained accordingly and used as input data in evaluating the Gibbs energy functions of C14. The entropy contribution in the ...

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

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A flexible and computationally economical model of the internal combustion engine was developed for use on large digital computer systems. It is based on a system of ordinary differential equations for cylinder-averaged properties. The computer program is capable of multicycle calculations, with some parameters varying from cycle to cycle, and has restart capabilities. It can accommodate a broad spectrum of reactants, permits changes in physical properties, and offers a wide selection of alternative modeling functions without any reprogramming. It readily adapts to the amount of information available in a particular case because the model is in fact a hierarchy of five models. The models range from a simple model requiring only thermodynamic properties to a complex model demanding full combustion kinetics, transport properties, and poppet valve flow characteristics. Among its many ...

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The improvement of the ecological conditions at waste storing reservoirs is an important task of the restoration activity at Production Association (PA) ``Mayak`` (South Urals). The radionuclides mostly {sup 90}Sr, {sup 137}Cs, and chemical pollutants deposited in the reservoir water and in the bottom sediment are very dangerous sources for the contamination of Techa River below the reservoirs and the contamination of groundwater in the surrounding formations. The spreading of radioactive contaminants has both hydrogeological and the chemical features. The thermodynamic approach used to account for physical-chemical interactions between water and the bed rocks based on Gibbs free energy minimization of multicomponent system (H-O-Ca-Mg-K-Na-S-Cl-C-Sr) permitted the authors to calculate the corresponding ionic and complex species existing in the solutions, and to characterize the processes of precipitation and dissolution. The model takes into ...

British Library Electronic Table of Contents (United Kingdom)

Solution and dilution enthalpies of aqueous solutions of potassium diclofenac salt (K_DC) were measured by an isoperibolic calorimeter at 298.15 and 318.5?K. Heat capacities of the solutions with concentrations 0.002?0.09?mol?kg?1 were obtained at the temperature interval of 288.15?318.15?K using a scanning adiabatic microcalorimeter. The virial coefficients were derived from Pitzer?s model, and the excess thermodynamic functions of both the solvent and the solute of the solution were calculated. The concentration and temperature dependencies of thermodynamic characteristics of the solution were analyzed and discussed.

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Theoretical thermodynamical calculations for the ZrO/sub 2/- Al/sub 2/O/sub 3/-SiO/sub 2/ system are given to expose the regions of the most chemically stable products of crystallization. It is established that ceramics on the base of mullite with zircon addition and containing the minimum quantity of glass phase should be preferably used in chemical media containing HCl.

British Library Electronic Table of Contents (United Kingdom)

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

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

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

In the present work temperature dependences of heat capacity of carbosilane dendrimers with butyl terminal groups of the third and the fourth generations as well as of the fifth and the sixth generations have been determined first in the range from 6 to 340K and between 6 and 600K, respectively, by precision adiabatic vacuum and dynamic calorimetry. In the above temperature ranges the physical transformations have been detected and their thermodynamic characteristics have been estimated and analyzed. The experimental data were used to calculate standard thermodynamic functions, namely the heat capacity C{sub p}{sup o}(T), enthalpy H{sup o}(T)-H{sup o}(0), entropy S{sup o}(T)-S{sup o}(0) and Gibbs function G{sup o}(T)-H{sup o}(T), for the range from T->0 to (340-600)K. Linear dependences of changing the corresponding thermodynamic functions of the dendrimers on their molecular weight and the ...

International Nuclear Information System (INIS)

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)

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This book is not a traditional handbook. Engineers in industry need up-to-date, accessible information on the applications of heat and mass transfer. This book is the answer. Contents include: (1) emphasis on applications in thermal design and computer solutions of thermal engineering problems; (2) an introduction to the use of the Second Law of Thermodynamics in analysis, optimization, and economics; (3) information on topics of current interest--in a form convenient and accessible to the average engineer; (4) three chapters of background material--enough to review the basic principles needed to understand specific thermal applications; and (5) extensive treatment of computational tools and numerical analysis.

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

X-ray results on the lattice parameters, molar volume and thermal expansion coefficients of solid ortho-deuterium for the region from 2 K to the melting point are reported. It is found that the thermal expansion of ortho-deuterium crystals, similarly to parahydrogen is essentially anisotropic near the melting temperature. The vacancy density at the triple point is estimated. Some thermodynamic characteristics of ortho-deuterium are calculated and temperature dependences of heat capacity at constant volume, isothermal compressibility and Gruneisen constant are analyzed.

Energy Technology Data Exchange (ETDEWEB)

Cementitious materials provide an ideal geochemical environment (e.g., high pH pore fluids and large surface areas for sorption) for immobilizing nuclear waste. The inclusion of reducing agents, such as blast furnace slag (BFS) can immobilize radionuclides by forming of solid sulfide phases. Thermodynamic calculations using the MINTEQ geochemical computer code indicate the elemental sulfur present in BPS reacts with the highly mobile pertechnetate anion (TcO{sub 4}{sup -}) anion to form an insoluble technetium sulfide phase (Tc{sub 2}S{sub 7(s)}). Initially, the waste form very effectively immobilizes technetium. However, as oxygen diffuses into the waste form, an outer zone of oxidized concrete and a shrinking core of reduced intact concrete develops. Oxidation of sulfur in the outer zone results in increased technetium concentrations in the pore fluid because Tc{sub 2}S{sub 7(a)} oxidizes to the mobile TcO{sub 4}{sup -} ...

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that ...

International Nuclear Information System (INIS)

The static thermodynamic properties of the molten salt system like LiF-NaF-BeF_2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 15%LiF-58%NaF-27%BeF_2, over the temperature range of 873.15K to 1073.15K at one atmosphere pressure, is described using Peng-Robinson equation modified by us. And the density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermodynamic properties such as the enthalpy, entropy and heat capacity at constant pressure are estimated by the residual function method and the fugacity coefficient method respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated by such ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Due to the general market conditions, the construction of steam turbines was greatly reduced in 1987. As in 1986, it came to a downward movement. This situation will heighten in the coming years. The exploitation of devices, which are available by way of the development of EDP in computation, construction, production and operation, leads to considerable improvements. These improvements can only be employed gradually, due to the reduction in production. However, technological progress can be used economically in part in the restoration of old installations. Here turbine construction, the thermodynamical interpretation of gas and steam turbines, developments in the field of conduction technology, piping and materials are described. Also improvements in operation security and operation supervision of the installations is treated, as well as service and maintenance of the plants. (BR) With 131 refs.

International Nuclear Information System (INIS)

In a supercritical water-cooled reactor, property of water changes significantly around the critical point. It is expected that irradiation and change of water property will affect the chemistry and material corrosion. Deep understanding of interactions between supercritical water and materials under irradiation is important. However, comprehensive data on radiolysis, kinetics, corrosion and thermodynamics have not been obtained due to the severe experimental condition. To get such data by experiments and computer simulations, a national program funded by Ministry of Education, Culture, Sports, Science and Technology (MEXT) has been started since December 2002. (author)

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

International Nuclear Information System (INIS)

Nuclear physics parameters of the Wolsung CANDU-PHW reactor are computed by use of the PHWCELL computer code that is an improved version of LATREP. The PHWCELL code mainly computes cell parameters of heavy water moderated reactors, and modeling scheme of heavy water reactor cell calculations has been developed with the PHWCELL computer code. The reactor operating conditions considered in the study are cold zero power (CZP) and hot full power (HFP) with equilibrium poison. The cell parameters are also computed as a function of fuel burnup and the numerical results are compared with the results in PSR of the Wolsung unit and in the previous study. (author).

Energy Technology Data Exchange (ETDEWEB)

This paper presents an approach to comparing computer run time of building simulation programs. The computing run time of a simulation program depends on several key factors, including the calculation algorithm and modeling capabilities of the program, the run period, the simulation time step, the complexity of the energy models, the run control settings, and the software and hardware configurations of the computer that is used to make the simulation runs. To demonstrate the approach, simulation runs are performed for several representative DOE-2.1E and EnergyPlus energy models. The computer run time of these energy models are then compared and analyzed.

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This report provides a user's manual for PROTOCOL, a comprehensive coupled kinetic/equilibrium computer program for analyzing the dissolution reactions of solids with aqueous solutions, specifically applied to the potential corrosion of vitrified nuclear waste by groundwater. The capabilities and available options are summarized as well as instructions for setting up and running problems. Also described in this report and included in the PROTOCOL software package are MASTER, a master file of species thermodynamic data, MANEQL, a preprocessor program and POSTP, a postprocessor. POSTP provides offline plotting using the CRAY-1 DISSPLA 9.0 graphics library. PROTOCOL is operational on the CDC-7600 and CRAY-1 computers at the Lawrence Livermore National Laboratory. 7 references, 10 figures, 2 tables.

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This study focused on the biosorption of total chromium onto red algae (Ceramium virgatum) biomass from aqueous solution. Experimental parameters affecting biosorption process such as pH, contact time, biomass dosage and temperature were studied. Langmuir, Freundlich and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherms. Langmuir model fitted the equilibrium data better than the Freundlich isotherm. The biosorption capacity of C. virgatum biomass for total chromium was found to be 26.5 mg/g at pH 1.5 and 10 g/L biomass dosage, 90 min equilibrium time and 20 deg. C. From the D-R isotherm model, the mean free energy was calculated as 9.7 kJ/mol, indicating that the biosorption of total chromium was taken place by chemisorption. The calculated thermodynamic parameters ({delta}G{sup o}, {delta}H{sup o}and {delta}S{sup o}) showed that the biosorption of total chromium onto C. virgatum biomass ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

CERN Document Server

Computing with cells

International Nuclear Information System (INIS)

The paper is Part 2 of the study on the thermodynamic and thermoeconomic analyses of trigeneration system with a gas-diesel engine. In Part 1, thermodynamic and thermoeconomic methodologies for such a comprehensive analysis were provided, while this paper applies the developed methodology to an actual TRIGEN system with a rated output of 6.5 MW gas-diesel engine installed in the Eskisehir Industry Estate Zone, Turkey. Energy and exergy efficiencies, equivalent electrical efficiency, the Public Utility Regulatory Policies Act (PURPA) efficiency, fuel energy saving ratio, fuel exergy saving ratio and other thermodynamic performance parameters are determined for the TRIGEN system. The efficiencies of energy, exergy, PURPA and equivalent electrical efficiency of the entire system are found to be 58.97%, 36.13%, 45.7% and 48.53%, respectively. For the whole system and its components, exergetic cost allocations and various ...

International Nuclear Information System (INIS)

The major driver to enhance the efficiency of the simple gas turbine cycle has been the increase in process conditions through advancements in materials and cooling methods. Thermodynamic cycle developments or cycle integration are among the possible ways to further enhance performance. The current paper presents the possibilities and advantages from the LOTHECO natural gas-fired combined cycle concept. In the LOTHECO cycle, low-temperature waste heat or solar heat is used for the evaporation of injected water droplets in the compressed air entering the gas turbine's combustion chamber. Following a description of this innovative cycle, its advantages are demonstrated by comparison between different gas turbine power generation systems for small and large-scale applications, including thermodynamic and economic analysis. A commercial gas turbine (ALSTOM GT10C) has been selected and computed with the heat mass balance program ...

Energy Technology Data Exchange (ETDEWEB)

The paper presents a procedure for the calculation of an absorption-refrigeration plant that uses an LiBr/ZnBr{sub 2}/CH{sub 3}OH solution and is driven throughout the year by heat received from a solar pond. The calculations for the solar pond are based on a finite-difference solution of the transient heat conduction differential equation during the year, and the operation of the refrigeration unit is simulated by the use of functions describing the thermodynamic behaviour of the working medium. On the basis of the procedure devised, correlations and nomographs are developed that describe the seasonally optimum operation of the proposed composite system. The nomographs may be employed for a first estimation in the design of such systems. (Author).

Energy Technology Data Exchange (ETDEWEB)

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 difference method, and does not cause wavefield numerical variance. As the ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

A thermodynamic model for predicting the distribution coefficients has been developed by taking into account the extraction mechanism and the chloride complexation when Sm, Eu, Gd, Tb, Dy and Ho for single component systems are extracted from acidic chloride solutions by di-2-ethylhexyl ester in kerosene, respectively. The model equation includes two constants, of which one corresponds to the apparent extraction equilibrium constant and the other is due to the variation of the activity coefficients of organic species. These values are determined from a few experimental data by the curve fitting method. Then, the distribution coefficients under untried calculations, Bromley's formulation is used to estimate the activity coefficients of aqueous species and the interaction parameters for some rare earth chlorides are reported in terms of morality and molarity using data from Spedding et al. According to the authors the validity of this method has ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Reactive chemical transport models developed over the past decade have generally relied on the assumption that local thermodynamic equilibrium is achieved at all times between aqueous species in a given system. Consequently, homogeneous aqueous systems characterized by a number of kinetically slow reactions, particularly problems involving organic species, cannot be satisfactorily modeled. In this study, we present a prototype computer model, KINETRAN, which is designed to handle kinetically-controlled homogeneous reactions in the aqueous phase, along with the transport of the various species involved, through geologic media. 31 refs., 53 figs., 10 tabs.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

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This guide describes the simulator`s governing equations, constitutive functions and numerical solution algorithms of the STOMP (Subsurface Transport Over Multiple Phases) simulator, a scientific tool for analyzing multiple phase subsurface flow and transport. The STOMP simulator`s fundamental purpose is to produce numerical predictions of thermal and hydrologic flow and transport phenomena in variably saturated subsurface environments, which are contaminated with volatile or nonvolatile organic compounds. Auxiliary applications include numerical predictions of solute transport processes including radioactive chain decay processes. In writing these guides for the STOMP simulator, the authors have assumed that the reader comprehends concepts and theories associated with multiple-phase hydrology, heat transfer, thermodynamics, radioactive chain decay, and nonhysteretic relative permeability, saturation-capillary pressure constitutive functions. The authors further ...

International Nuclear Information System (INIS)

This third tome about energy systems completes the two previous ones by showing up advanced thermodynamical cycles, in particular having a low environmental impact, and by dealing with two other questions linked with the study of systems with a changing regime operation: - the time management of energy, with the use of thermal and pneumatic storage systems and time simulation (schedule for instance) of systems (solar energy type in particular); - the technological dimensioning and non-nominal regime operation studies. Because this last topic is particularly complex, new functionalities have been implemented mainly by using the external classes mechanism, which allows the user to freely personalize his models. This tome is illustrated with about 50 examples of cycles modelled with Thermoptim software. Content: foreword; 1 - generic external classes; 2 - advanced gas turbine cycles; 3 - evaporation-concentration, mechanical steam compression, desalination, hot gas ...

Science.gov (United States)

Analysis of ENSO Dynamics and ThermoDynamics in the Western Pacific Warm Pool - An Application of Multi-Sensor Satellite Observations. ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

A numeric method for predicting mineral ash deposition in coal dust furnaces is presented which is based on a bidirectional working time coupling of thermodynamic calculation routines (ChemApp{sup TM}) with the commercial CFD code FLUENT{sup TM}. The deposition characteristics of particles and wall surfaces is assessed on the basis of evaluations of flow simulation parameters and results of thermodynamic calculations for the mineral matter contained in the fuel particles, taking into account the complete energy, momentum and mass exchange history of the ash and the mineral conversion. The models enables calculations of the gaseous release of mineral components (e.g. alkaline substances and chlorine) from ash during combustion and its distribution inside a combustion chamber. The method and model are validated using experimental data. (orig.) [German] In der vorliegenden Arbeit wird ...

International Nuclear Information System (INIS)

A mathematical and physical model was constructed describing the hydrodynamics of the two-phase mixture in the horizontal steam generator. The HP 9830 A desk-top calculator was used for the computations. The output variable of the solution was the level shape. A quantitative and qualitative comparison was made of the results of computations and experimental data. (author).

Energy Technology Data Exchange (ETDEWEB)

The characteristics of martensitic transformations in solids are largely determined by the elastic strain that develops as martensite particles grow and interact. To study the development of microstructure, a finite-element computer simulation model was constructed to mimic the transformation process. The transformation is athermal and simulated at each incremental step by transforming the cell which maximizes the decrease in the free energy. To determine the free energy change, the elastic energy developed during martensite growth is calculated from the theory of linear elasticity for elastically homogeneous media, and updated as the transformation proceeds.

International Nuclear Information System (INIS)

Heat capacities and densities of aqueous MgCl/sub 2/, CaCl/sub 2/, and SrCl/sub 2/ from the accompanying paper are combined with literature data up to 473 K to yield temperature-dependent equations by using the ion-interaction model of Pitzer. These heat capacity equations have been integrated to yield the enthalpy and the Gibbs energy. The enthalpy parameters for 298 K are evaluated in separate calculations using published high-temperature osmotic data as well as heats of dilution, while the Gibbs energy parameters for 298 K are taken from the literature. The range of validity of the final equations is described.

British Library Electronic Table of Contents (United Kingdom)

The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, wh...

International Nuclear Information System (INIS)

First-principles density functional theory (DFT) based calculations were performed to study the electronic and cohesive properties of all the intermediate ordered phases appearing in the transformation from bcc-based #beta# to hexagonal ordered #omega# phase in Zr_3Al alloy. Full-potential linear augmented plane wave (FPLAPW) method under the GGA was employed to establish the stability hierarchy and structure-property correlations. Further, effective pair potentials upto the fourth nearest neighbours were extracted, which, subsequently, were used for the thermodynamics analysis of the thermally-induced #beta##->##omega# transformation. The lattice collapse mechanism involving the concept of the onset of a displacement wave where the extent of collapse is viewed as an amplification of the displacement wave was employed for further analysis. (author)

Energy Technology Data Exchange (ETDEWEB)

Thermophotovoltaic energy conversion achieves direct conversion of thermal energy to electricity without the need for complex dynamic machinery operating in one of several possible thermodynamic cycles. This paper presents an analysis of a hybrid solar thermophotovoltaic (STPV) energy conversion system in which a receiver/photovoltaic (PV) array subsystem is powered by either a solar concentrator or a fossil fuel combustion source. The overall TPV system efficiency is calculated using an appropriate selective emitter and a spectrally tuned solar cell designed to achieve maximum conversion efficiency in the narrow band emitted by the selective emitter. Two limiting cases are examined to place upper and lower bounds on system performance. The estimates of system performance are based on actual experimental data from PV cells and selective emitters.

Energy Technology Data Exchange (ETDEWEB)

The papers collected in this volume were presented at the 4th Colloquium on Process Simulation held at Helsinki University of Technology, Espoo, Finland, June 11-13, 1997. In the more developed industrial nations, the processes for producing chemicals, energy, and materials encounter environmental concern and laws which challenge engineers to develop the processes towards more efficient, economical and safe operation. This necessitates more thorough understanding of the processes and phenomena involved. Formerly, the development of the processes was largely based on trial and error, whereas today, the development of computer performance together with the diversification of modelling software enables simulation of the processes. The increased capacity and possibilities for modelling the processes brought by the improved hardware and software, have generated a strong demand for more accurate mathematical descriptions of the processes. Especially, the coupling of ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Science.gov (United States)

The results of a computational scheme of Rose (a method for calculating solutions of parabolic equations with free boundary, Math. Comp., 14: 249-256(1960)) are compared with the known analytic solution of a single-phase Stefan problem with constant boundary temperature. Rose's scheme was implemented in FORTRAN on a DEC PDP-10. Computations were performed for Stefan numbers St = 0.01, 0.1, 1, 10, and 100. Three relative mesh sizes (..gamma.. = DT/(DX)/sup 2/ = 1/2, 1/6, and 1/25) were used. For each St, the relative mesh size had very little effect on accuracy. However, taking ..gamma.. = 1/25 resulted in dramatically increased computing time. The relative errors of temperature were large near the phase change front. 11 figures, 5 tables.

Energy Technology Data Exchange (ETDEWEB)

The shock-induced {alpha}(bcc){r_arrow}{var_epsilon}(hcp) transition in iron begins at 13 GPa on the Hugoniot. In the two-phase region above 13 GPa, the Hugoniot lies well above the equilibrium surface defined by G{sub {alpha}}=G{sub {var_epsilon}}, with G the Gibbs free energy. Also, the phase transition relaxation time {tau} is uncertain, with estimates ranging from {lt}50 ns to {approx}180 ns. Here we present an extensive study of these important aspects, metastability and dynamics, of the {alpha}-{var_epsilon} transition in iron. Our primary theoretical tools are (a) accurate theoretically based free energies for {alpha} and {var_epsilon} phases of iron and (b) accurate calculations of the wave evolution following planar impacts. We define metastable surfaces for forward and reverse transitions by the condition that the thermodynamic driving force G{sub {alpha}}{minus}G{sub {var_epsilon}} is just balanced by an opposing force resulting from ...

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Energy Technology Data Exchange (ETDEWEB)

Molar excess volumes, V{sup E}, molar excess enthalpies, H{sup E}, and speeds of sound data, u, of chloroform (i) + aniline or o-toluidine (j) binary mixtures have been measured as a function of composition at 308.15 K. Isentropic compressibility changes of mixing, {kappa}{sub S}{sup E} have been determined by employing speed of sound data. Topological investigations of V{sup E} data reveals that aniline, chloroform and o-toluidine are associated entities and these (i + j) mixtures contain a 1:1 molecular complex. The IR studies lend further support to the nature and extent of interaction for the proposed molecular entity in the mixtures. H{sup E} and {kappa}{sub S}{sup E} values have also been calculated by employing Moelwyn-Huggins concept [Polymer 12 (1971) 387] taking topology of the constituents of the mixtures. It has been observed that calculated H{sup E} and {kappa}{sub S}{sup E} values compare well with their corresponding experimental ...

Energy Technology Data Exchange (ETDEWEB)

The excellent high temperature strength and thermal conductivity of molybdenum-base alloys provide attractive features for components in advanced magnetic and inertial fusion devices. Refractory metal alloys react readily with oxygen and other gases. Oxidized molybdenum in turn is susceptible to losses from volatile molybdenum trioxide species, MoO{sub 3}(m), in air and the hydroxide, MoO{sub 2}(OH){sub 2}, formed from water vapor. Transport of radioactivity by the volatilization, migration, and re-deposition of these volatile species during a potential accident involving a loss of vacuum or inert environment represents a safety issue. In this report the authors present experimental results on the oxidation, volatilization and re-deposition of molybdenum from TZM in flowing air between 400 and 800 C. These results are compared with calculations obtained from a vaporization mass transfer model using chemical thermodynamic data for vapor ...

Energy Technology Data Exchange (ETDEWEB)

In this work, the Calibration-Free approach for Laser-Induced Breakdown Spectroscopy (CF-LIBS) was applied for the first time to radially resolved spectra emitted by a laser-induced plasma. The radial profiles of plasma temperature and electron number density were used to calculate the local relative concentration of the elements of interest. We analyzed a set of profiles of the local spectral emission coefficient obtained previously by means of spatial deconvolution of the spectra from a copper-based alloy (Cu 93, Fe 5, Mn 1, Ni 1 wt.%) laser-induced plasma. A spatially integrated spectrum of the same plasma was also analyzed for comparison purpose. The relative abundance of the minor components Fe, Mn and Ni was calculated. The results obtained from the central region of the plasma were closer to the nominal concentrations than those obtained from the spatially integrated spectrum. However, an increasing deviation was observed towards the ...

Energy Technology Data Exchange (ETDEWEB)

The performance of binary geothermal power plants can be improved through the proper choice of a working fluid, and optimization of component designs and operating conditions. This paper reviews the investigations at the Idaho National Engineering Laboratory (INEL) which are examining binary cycle performance improvements: for moderate temperature (350 to 400 F) resources with emphasis on how the improvements may be integrated into design of binary cycles. These investigations are examining performance improvements resulting from the supercritical vaporization of mixed hydrocarbon working fluids and achieving countercurrent integral condensation with these fluids, as well as the modification of the turbine inlet state points to achieve supersaturated turbine vapor expansions. For resources where the brine outlet temperature is restricted, the use of turbine exhaust recuperators is examined. The baseline plant used to determine improvements in plant performance (characterized by the ...

Energy Technology Data Exchange (ETDEWEB)

This thesis surveys the concepts of exergy and extends the exergy method of analysis from the standpoint of its applications to the power plant systems. After a brief historical review of exergy concepts, the general exergy equation is derived from the combined equation of First and Second Law, and it is shown that any special case of exergy equation is a simplified form of the general exergy equation. The mathematical method for the exergy analysis of a steady-state, steady-flow system, analogous to that of the First Law, is given. The exergy losses in a power plant are discussed. Then in order to examine these losses, the Second Law performance of major processes of combustion, compression, heat transfer, mixing and throttling have been analyzed analytically, and the exergy efficiencies are defined that accurately assess the thermodynamic performance of the corresponding processes. The methods for computation of exergy loss and exergy ...

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The use of computer codes based on Monte Carlo methods to perform criticality calculations has become common-place. Although results frequently published in the literature report calculated k_e_f_f values to four decimal places, people who use the codes in their everyday work say that they only believe the first two decimal places of any result. The lack of confidence in the computed k_e_f_f values may be due to the tendency of the reported standard deviation to underestimate errors associated with the Monte Carlo process. The standard deviation as reported by the codes is the standard deviation of the mean of the k_e_f_f values for individual generations in the computer simulation, not the standard deviation of the computed k_e_f_f value compared with the physical system. A more subtle problem with the standard deviation of the mean as reported by the codes is ...

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

It is discussed here how trustworthy predictions of etched track parameters in nuclear track detection technique can be made? Problems involved in doing so are described along with discussion about their possible solutions. Arguments are presented using 5.2 MeV alpha particle track etching experiments with CR-39 detector and corresponding calculations using computer programs TRACK{sub V}ISION and TRACK{sub T}EST. Experimental and computational results in the present paper are useful for further basic research and technology applications of solid state nuclear track detection technique.

Energy Technology Data Exchange (ETDEWEB)

The Meteorological Information System (MIS) comprising the meteorological instruments, the computers, and the software for data processing and recording, is part of the KfK safety and control system. In 1982 is was equipped with an independent data processing system. The report explains the arrangement and the operation of the sensors and thw two process computers. For selected meteorological situations the ability of the system is demonstrated, i.e., the presentation of the vertical profiles of wind, temperature and turbulence in the lower atmospheric boundary layer as well as the calculation and graphical representation of the transport and dispersion into the KfK environment of radioactive pollutants being released by the nuclear installations of the KfK into the atmosphere.

Energy Technology Data Exchange (ETDEWEB)

The performance of a solar chemical heat pipe was studied using CO{sub 2}reforming of methane as the endothermic reaction. A directly heated vertical reactor, packed with a rhodium catalyst was used. The solar tests were carried out in the Schaeffer solar furnace of the Weizmann Institute of Science. The power absorbed was up to 6.3 KW, the maximal flow rates of the gases reached 11,000 1/h, and the methane conversions reached 85%. A computer model was developed to simulate the process. Agreement of the calculations with the experimental results was quite satisfactory.

Energy Technology Data Exchange (ETDEWEB)

In this report, the concept of exergy and the general methodology of the exergetic analysis and the thermoeconomic (combined exergetic and economic) analysis of energy conversion systems are presented. The THESIS (THermodynamic and Economc SImulation System) computer program used for these analyses is briefly described. Detailed mass, energy, exergy and money balances for a reference steam power plant (Harry Allen Station) are shown. The effect of the most important process parameters on the overall efficiency is investigated. A year-by-year and a levelized revenue requirement analysis are presented. The costs of exergy losses are compared with the capital costs and other expenses due to owning and operating each particular plant component. The question whether it is profitable to reduce the exergy losses by increasing these costs and vice versa is investigated. A cost sensitivity analysis including the effect of coal price and average annual ...

Energy Technology Data Exchange (ETDEWEB)

Cryogenic distillation is the main industrial method for separating hydrogen's isotopes, because it presents the advantage of high separating factors and also the possibility of processing great quantities of gases. In the case of multicomponent mixtures the determination of transport for molecular species between the two phases is very difficult owing to the particularities of physical characteristics of each component from the mixture. The transport of molecular species is also strongly influenced by the hydrodynamics of two phases, in strong connection with the dimension of the interface between the vapor and liquid phase. The characteristics of the interface depend on the type and geometry of the separation area: plates or package. The traditional methods of analysis for exchange processes use the concept 'theoretic plate', a physical entity for which the values of concentrations for vapors and liquid that leaves the plate are in ...

International Nuclear Information System (INIS)

Purpose/Objective: With the advent of computed tomography and magnetic resonance imaging, the three dimensional representation of the patient anatomy has become an invaluable resource for better diagnosis and delineation of the target volume and sensitive structures in radiation therapy. Although the therapeutic linear accelerator industry has made available highly sophisticated equipment, the aggressiveness in dose prescription and delivery has to be complimented by accurate dose computation methods. We have adopted a convolution/superposition algorithm for the calculation of absolute dose that fully accounts for the external shape and internal structure of the patient for photon treatment radiotherapy. In this paper, we will discuss the principles of the convolution algorithm and we will show how the computed dose compares to clinically relevant treatment techniques. Materials and Methods: A ...

Energy Technology Data Exchange (ETDEWEB)

The surface losses in the drift-tube linac (DTL) tanks 3 and 4 of the LANSCE linear accelerator are calculated using 3-D electromagnetic modeling with the CST MicroWave Studio (MWS). The results are used to provide more realistic power estimates for the 201.25MHz RF upgrade design within the LANSCE-R project. We compared 3-D MWS results with those from traditional 2-D Superfish computations for DTL cells and their simplified models and found differences on the level of a few percent. The differences are traced to a 3-D effect consisting in a redistribution of the surface currents on the drift tubes (DT) produced by the DT stem. The dependence of MWS results on the mesh size used in computations is also discussed.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

The interdependence of thermodynamic parameters, phase equilibria, and electrochemical measurements can be used as a powerful tool in the development of high specific energy cells. These principles were used in the analysis of electrochemical experiments performed on ternary lithium-transition metal-oxide (M = Mn, Fe, and Co) positive electrodes. The free energies of formation of LiMnO/sub 2/, Li/sub 5/FeO/sub 4/, LiFeO/sub 2/, and LiCoO/sub 2/ were found to be -178.21, -399.88, -154.18, and 131.62 kcal/mol at 400/sup 0/C. The electrochemical displacement reactions were found to be reversible in LiCl/KCl molten salt cells over a range of 0.0-3.0 Li equivalents per mol at current densities of 5-15 mA/cm/sup 2/. The equilibrium potential vs. Li was found to be a logarithmic function of the calculated oxygen partial pressure for any tie triangle in which Li/sub 2/O is present, or for any tie triangle containing ternary oxide phases Li /SUB x/ MO ...

International Nuclear Information System (INIS)

We present a collisional-radiative approach of the theoretical analysis of laser-induced breakdown spectroscopy (LIBS) plasmas. This model, which relies on an optimized effective potential atomic structure code, was used to simulate a pure aluminum plasma. The description of aluminum involved a set of 220 atomic levels representative of three different stages of ionization (Al0, Al+ and Al++). The calculations were carried for stationary plasmas, with input parameters (ne and Te) ranging respectively between 1013-18 cm-3 and 0.3-2 eV. A comparison of our atomic data with some existing databases is made. The code was mainly developed to address the validity of the local thermodynamic equilibrium (LTE) assumption. For usual LIBS plasma parameters, we did not reveal a sizeable discrepancy of the radiative equilibrium of the plasma towards LTE. For cases where LTE was firmly believed to stand, the Boltzmann plot outputs of this code were used to ...

International Nuclear Information System (INIS)

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

Science.gov (United States)

With appropriate circuit resistance and inductance and sufficient stored energy, discharging a charged human body or component through an exploding bridgewire (EBW) detonator may cause the detonator to function or may damage the detonator. We have studied the effects of electrostatic discharge (ESD) on a number of exploding bridgewire detonators which were subjected to discharges which passed directly through the bridgewires (pin-to-pin), as well as discharges which passed from the bridge to the metal case of the detonator (pin-to-case). We have performed calculations to determine the values of inductance and resistance for which burst and melt may occur for given ESD sources, using a phenomenological model of bridgewire burst in a computer code called FIRESET. Bridge melt was computed using the same computer code, but using experimental values of bridge resistivity and specific heat up to melt. 13 ...

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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.).

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

BackgroundIn this study we investigated the predictability of three thermodynamic quantities related to complex formation. As a model system we chose the host-guest complexes of...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This paper consists of two parts. Part 1 deals with the thermodynamic and thermoeconomic methodology of a trigeneration (TRIGEN) system with a rated output of 6.5 MW gas-diesel engine while the application of the methodology is presented in Part 2. The system has been installed in the Eskisehir Industry Estate Zone in Turkey. Thermodynamic methodology includes the relations and performance parameters for energy and exergy analysis, while thermoeconomic methodology covers the cost balance relations, cost of products and thermodynamic inefficiencies, relative cost difference and exergoeconomic factor. (author)

Energy Technology Data Exchange (ETDEWEB)

Molar excess volumes, V{sup E}, molar excess enthalpies, H{sup E}, and speeds of sound, u, of o-toluidine (i) + cyclohexane or n-hexane or n-heptane (j) binary mixtures have been determined over entire range of composition at 308.15 K. Speeds of sound data have been utilized to predict isentropic compressibility changes of mixing, {kappa}{sub S}{sup E} of (i + j) mixtures. The observed V{sup E}, H{sup E} and {kappa}{sub S}{sup E} data have been analyzed in terms of Graph theory. The analysis of V{sup E} data by Graph theory reveals that o-toluidine exists as an associated molecular entity and (i + j) mixtures contain 1:1 molecular complex. It has been observed that V{sup E}, H{sup E} and {kappa}{sub S}{sup E} values calculated by Graph theory compare well with their corresponding experimental values. The observed data have also been analyzed in term of Flory theory.

Energy Technology Data Exchange (ETDEWEB)

The Flory model is applied to predict the isobaric expansion coefficients, {alpha}{sub P}, isentropic, {kappa}{sub S}, and isothermal, {kappa}{sub T}, compressibilities and speeds of sound, u, of the highly complex mixtures: hydroxyether + alkane, + dibutylether, + 1-butanol or + 2-methoxyethanol, 1-alkanol + alkane, and 1-alkanol + dibutylether. Predictions were obtained using the energetic parameter, {chi}{sub 12}, determined from values of excess enthalpies, H{sup E}, and from values of the excess isochoric internal energies, U{sub V}{sup E}, at equimolar composition. No meaningful differences exist between such predictions. Deviations between experimental and calculated values are lower than 2% for mixtures containing alkoxyethanols. Poorer results are obtained for 1-alkanol + dibutylether mixtures with deviations up to 5%. It is shown that predictions on {alpha}{sub P}, {kappa}{sub S}, {kappa}{sub T}, and u essentially depend on structural effects and not on ...

CERN Document Server

We have performed multicanonical Monte Carlo simulations of C-peptide of ribonuclease A. It is known by CD and NMR experiments that this peptide has high alpha-helix content in aqueous solution and that the side-chain charges of residues Glu-2$^-$ and His-12$^+$ play an important role in the stability of the alpha-helix. In order to confirm these experimental implications, we have used two analogues of the peptide with charged and neutral side chains of Glu-2 and His-12. Two dielectric functions, distance-dependent and constant, are considered to study the effects of solvent contributions. All the simulations were started from random initial conformations. Various thermodynamic quantities such as average helicity as a function of residue number and average distance between two side chains as a function of temperature are calculated. The results are found to be in accord with the implications of CD and NMR experiments. The lowest-energy ...

Energy Technology Data Exchange (ETDEWEB)

The poisoning effects of various trace contaminants in the coal-derived syngas stream at ppm and sub-ppm level on the performance of Ni-YSZ/YSZ/LSM solid oxide fuel cells were studied at extended duration. The thermochemical nature of impurities such as PH{sub 3}(g) and CH{sub 3}Cl(g) in presence and absence of water steam was analyzed by a high temperature mass spectrometer. Only less than half of PH{sub 3}(g) is hydrolyzed, and CH{sub 3}Cl(g) also co-exist with HCl(g). After a certain duration of exposure, 1 ppm AsH{sub 3}(g), 0.5 ppm PH{sub 3}(g), and 2.5 ppm CH{sub 3}Cl(g) all caused some degree of degradation to the power density at 750 C. Whereas 1 ppm of H{sub 2}S(g) resulted in immediate performance loss. The mechanisms of degradation are mainly divided into two categories: surface adsorption effect (for S and Cl) and bulk reaction effect (for As and P). The controversies regarding the poisoning effect and mechanism of S are also discussed with the aid of ...

Energy Technology Data Exchange (ETDEWEB)

The acid corrosion inhibition process of mild steel in 1 M HCl by 1-butyl-3-methylimidazolium chlorides (BMIC) and 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM]HSO{sub 4}) has been investigated using electrochemical impedance, potentiodynamic polarization and weight loss measurements. Potentiodynamic polarization studies indicate the studied inhibitors are mixed type inhibitors. For both inhibitors, the inhibition efficiency increased with increase in the concentration of the inhibitor and the effectiveness of the two inhibitors are in the order [BMIM]HSO{sub 4} > BMIC. The adsorption of the inhibitors on mild steel surface obeyed the Langmuir's adsorption isotherm. The effect of temperature on the corrosion behavior in the presence of 5 x 10{sup -3} M of inhibitors was studied in the temperature range of 303-333 K. The associated activation energy of corrosion and other thermodynamic parameters such as enthalpy of activation ({delta}H), ...

Energy Technology Data Exchange (ETDEWEB)

A unified model is presented for a class of combined energy systems, in which the systems mainly consist of a heat engine, a combustor and a counter-flow heat exchanger and the heat engine in the systems may have different thermodynamic cycle modes such as the Brayton cycle, Carnot cycle, Stirling cycle, Ericsson cycle, and so on. Not only the irreversibilities of the heat leak and finite-rate heat transfer but also the different cycle modes of the heat engine are considered in the model. On the basis of Newton's law, expressions for the overall efficiency and power output of the combined energy system with an irreversible Brayton cycle are derived. The maximum overall efficiency and power output and other relevant parameters are calculated. The general characteristic curves of the system are presented for some given parameters. Several interesting cases are discussed in detail. The results obtained here are very general and ...

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The COSA II (computer codes for salt) benchmark problem has been pursued with the ADINA (Automatic Dynamic Incremental Nonlinear Analysis) program code. With the use of this, the code should be validated by means of experimental data and the ability to reproduce real-life calculation results of the KfK (Kernforschungszentrum Karlsruhe/Nuclear Research Center in Karlsruhe) should be proven. A successful validation of the code then forms the foundation stone for the ability to use different calculation problems in the final (ultimate) storage. This also accompanies the consequent reaction of replacing the STEALTH (Solids and Thermal Hydraulics Code for EPRI Adapted from LAGRANGE TOODY and HEMP) program which has a number of program-specific weaknesses compared to the ADINA computer code. In order to reproduce the approximate values from the KfK, the same values have been used. Differences were evident in ...

British Library Electronic Table of Contents (United Kingdom)

Results are given of numerical simulation of three-dimensional pattern of flow of a two-phase steam-water mixture in the house of a PGV-1000 horizontal steam generator obtained using the BAGIRA best-estimate thermohydrodynamic computer codes. The space distributions of velocities and local void fractions in the steam generator housing for different modes of operation of power-generating unit are calculated and compared with available experimental data.

Science.gov (United States)

Evaluation procedures used to produce sets of evaluated data for the 33 heavy isotopes that fall in the range Z = 90 to Z = 98 are described. At the beginning of the discussion for each individual isotope, a computer-generated listing is given which summarizes the main properties of the data sets that are contained in the evaluation. (RWR)

Wastenet

...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 ...

International Nuclear Information System (INIS)

The risks from radiation exposure during radiological diagnosis has usually been estimated in relation to genetic changes. Relevant information has been expressed as the genetically significant dose. In this paper we attempt to produce an analogous measure for evaluating the somatic risk in the form of a somatically significant dose index for radiological and CT examinations. It is shown that, for both types of examination, the two risk factors may be entirely different. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Solid state effects are taken into account in an internal conversion coefficients computation by using Wigner-Seitz boundary conditions. Both the bound and free electron wave functions are calculated from an atomic Dirac-Hartree-Fock-Slater self consistent potential. These internal conversion coefficients are compared with those obtained from the usual free atom boundary conditions.

International Nuclear Information System (INIS)

Brachytherapy is used for treating certain types of cancer by inserting radioactive sources into tumours. CDTN/CNEN is developing brachytherapy seeds to be used mainly in prostate cancer treatment. Dose calculations play a very significant role in the characterization of the developed seeds. The current state-of-the-art of computation dosimetry relies on Monte Carlo methods using, for instance, MCNP codes. However, deterministic calculations have some advantages, as, for example, short computer time to find solutions. This paper presents a software developed to calculate doses in a two-dimensional space surrounding the seed, using a deterministic algorithm. The analysed seeds consist of capsules similar to IMC6711 (OncoSeed), that are commercially available. The exposure rates and absorbed doses are computed using the Sievert integral and the Meisberger third ...

International Nuclear Information System (INIS)

In the conventional visualization system for the computational results, only Japanese (Nihongo) Line Printer (NLP) was available to print two dimensional cross sectional plots of vector and scalar fields. To evaluate the phenomena, an analyst had to print many plots on the NLP. This task makes difficult to check the computational results immediately after the calculation. Recently, as the visualization tools, we introduced Micro AVS and Field View which are utilized widely in the scientific and the industrial fields. In order to show the numerical results on the visualization software, we constructed a post processing system which convert the results of the numerical code to 'intermediate files' which can be read by the visualization tools. As using this system, the examination of the numerical results can be executed on the display of the personal computer. Furthermore, the persuasive report and paper ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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 ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Precondition for the low-NO operation of gas turbine burners is the generation of as homogeneous as possible a gaseous fuel/air mixture. Such a burner behavior can be achieved by selective adaptation of the flow and injection. A computing model is introduced that calculates the dynamically balanced GASs/droplet flow through numerical solution of the transport equations in a curved orthogonal coordinate system. The feedback reaction of the fuel droplets to the gas phase is considered by source terms and/or sink terms. Test computations were carried out for comparison with analytical solutions from the flow mechanics and validated by comparison with measurement results. Droplet motion and evaporation were checked by means of published experimental results on single droplets. For the validation of the developed computing technique, model tests were carried out with water in place of fuel. It is pointed out ...

International Nuclear Information System (INIS)

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 Transport), and the ...

International Nuclear Information System (INIS)

The Fast Flux Test Facility (FFTF) is a liquid-metal-cooled test reactor located on the Hanford Site. The FFTF is the only reactor of this type designed and operated with the intent of meeting the licensing requirements of the Nuclear Regulatory Commission (NRC). Unique characteristics of the FFTF that present special challenges related to leak rate testing include thin wall containment vessel construction, cover gas systems that penetrate containment, and a low-pressure design basis accident. The successful completion in 1986 of the third FFTF Integrated Leak Rate Test (ILRT) five days ahead of schedule and 10% under budget was a major achievement for the Westinghouse Hanford Company. The success of this operational safety test was due in large part to a special local area network (LAN) of three IBM PC/XT computers that monitored the sensor data, calculated the containment vessel leak rate, and displayed test results. The multiple ...

Energy Technology Data Exchange (ETDEWEB)

A model system, described by the consistent Vlasov-Poisson equations under periodical boundary conditions, has been studied numerically near the point of a marginal stability. The power laws, typical for a system, undergoing a second-order phase transition, hold in a vicinity of the critical point: (i) A {proportional_to} -{theta}{sup {beta}}, {beta}=1.907{+-}0.006 for {theta} {<=} 0, where A is the saturated amplitude of the marginally-stable mode; (ii) {chi} {proportional_to} {theta}{sup -{gamma}} as {theta} {yields} 0, {gamma}={gamma}{sub -}=1.020{+-}0.008 for {theta} < 0, and {gamma}={gamma}{sub +}=0.995{+-}0.020 for {theta} > 0, where {chi}={partial_derivative}A/{partial_derivative}F{sub 1} at F{sub 1} {yields} 0 is the susceptibility to external drive of the strain F{sub 1}; (iii) at {theta}=0 the system responds to external drive as A {proportional_to} F{sub 1}{sup 1/{delta}}, and {delta}=1.544{+-}0.002. {theta}=(<v{sup 2}>-<v{sub ...

International Nuclear Information System (INIS)

The accuracy of dose computation within the lungs depends strongly on the performance of the calculation algorithm in regions of electronic disequilibrium that arise near tissue inhomogeneities with large density variations. There is a lack of data evaluating the performance of highly developed analytical dose calculation algorithms compared to Monte Carlo computations in a clinical setting. We compared full Monte Carlo calculations (performed by our Monte Carlo dose engine MCDE) with two different commercial convolution/superposition (CS) implementations (Pinnacle-CS and Helax-TMS's collapsed cone model Helax-CC) and one pencil beam algorithm (Helax-TMS's pencil beam model Helax-PB) for 10 intensity modulated radiation therapy (IMRT) lung cancer patients. Treatment plans were created for two photon beam qualities (6 and 18 MV). For each dose calculation ...

Energy Technology Data Exchange (ETDEWEB)

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 method. Independent ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Chest computed tomography (CT) was valuable in detecting extrinsic tracheal compression by mediastinal masses in two pediatric patients. This prompted an independent evaluation by CT of 14 children with masses involving the middle mediastinum and possible intrathoracic tracheal narrowing. Computer programs permit precise calculation of tracheal cross-sectional areas. Any apparent decrease in tracheal area may be compared with CT-derived data in normal children. Chest CT not only demonstrates the presence of extrinsic airway compression in pediatric patients with mediastinal masses, but also is capable of precisely measuring the extent of this narrowing. This method identifies children at potential risk for respiratory compromise and may aid in subsequent therapy.

International Nuclear Information System (INIS)

Ppercase(femaxi-iv) is a computer code for the analysis of thermal and mechanical behavior of light water reactor fuel rods during steady-state and transient conditions. The main purpose of ppercase(femaxi-iv) is to calculate the stress and strain distributions in the fuel and cladding due to the pellet-cladding mechanical interaction, and the fission gas release rate during operations, especially power transients. The capability of ppercase(femaxi-iv) was extensively tested with a number of experimental results obtained in some international fuel irradiation programs. This paper provides a general description of the various models involved in ppercase(femaxi-iv) and some results of applications on the experimental data. ((orig.)).

Energy Technology Data Exchange (ETDEWEB)

Femaxi-iv is a computer code for the analysis of thermal and mechanical behavior of light water reactor fuel rods during steady-state and transient conditions. The main purpose of femaxi-iv is to calculate the stress and strain distributions in the fuel and cladding due to the pellet-cladding mechanical interaction, and the fission gas release rate during operations, especially power transients. The capability of femaxi-iv was extensively tested with a number of experimental results obtained in some international fuel irradiation programs. This paper provides a general description of the various models involved in femaxi-iv and some results of applications on the experimental data. ((orig.))

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

In order to obtain the electronic structure of leucine (Leu) in aqueous solution, we studied three systems: Leu+7H2O, Leu+8H2O and Leu+9H2O. The results indicated that the system Leu+8H2O was the only choice which was both acceptable and doable: its computational effort was affordable, and it could simulate a main part of the solvent effect on the electronic structure of Leu in solution. Based on the system Leu+8H2O, all-electron, ab initio calculations were performed to construct an equivalent potential of water for the electronic structure of Leu with dipoles. The results showed that the main effect of water on the electronic structure of Leu was raising the occupied states about 0.0824 Ry on average, and broadening the energy gap by 11%. The water effect on the electronic structure of L...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

We have measured the densities at temperatures T = (278.15 to 363.15) K and heat capacities at T = (278.15 to 393.15) K of aqueous solutions of 18-crown-6 and of (18-crown-6 + KCl) at molalities m = (0.02 to 0.3) mol . kg"-"1 and at the pressure 0.35 MPa. We have calculated apparent molar volumes V_#phi# and apparent molar heat capacities C_p_,_#phi# for 18-crown-6(aq), and we have applied Young's Rule and have accounted for chemical speciation and relaxation effects to resolve V_#phi# and C_p_,_#phi# for the (18-crown-6: K"+,Cl"-)(aq) complex in the mixture. We have also calculated estimates of the change in volume #DELTA#_rV_m, the change in heat capacity #DELTA#_rC_p_,_m, the change in enthalpy #DELTA#_rH_m, and the equilibrium quotient log Q for formation of the complex at T = (278.15 to 393.15) K and m = (0 to 0.3) mol . kg"-"1.

Energy Technology Data Exchange (ETDEWEB)

An extensive study of the effects of correlations on both charged and neutral current weak interaction rates in dense matter is performed. Both strong and electromagnetic correlations are considered. The propagation of particle-hole interactions in the medium plays an important role in determining the neutrino mean free paths. The effects due to Pauli blocking and density, spin, and isospin correlations in the medium significantly reduce the neutrino cross sections. As a result of the lack of experimental information at high density, these correlations are necessarily model dependent. For example, spin correlations in nonrelativistic models are found to lead to larger suppressions of neutrino cross sections compared to those of relativistic models. This is due to the tendency of the nonrelativistic models to develop spin instabilities. Notwithstanding the above caveats, and the differences between nonrelativistic and relativistic approaches such as the spin- and isospin-dependent ...

International Nuclear Information System (INIS)

The purpose of this work was to study and quantify the differences in dose distributions computed with some of the newest dose calculation algorithms available in commercial planning systems. The study was done for clinical cases originally calculated with pencil beam convolution (PBC) where large density inhomogeneities were present. Three other dose algorithms were used: a pencil beam like algorithm, the anisotropic analytic algorithm (AAA), a convolution superposition algorithm, collapsed cone convolution (CCC), and a Monte Carlo program, voxel Monte Carlo (VMC++). The dose calculation algorithms were compared under static field irradiations at 6 MV and 15 MV using multileaf collimators and hard wedges where necessary. Five clinical cases were studied: three lung and two breast cases. We found that, in terms of accuracy, the CCC algorithm performed better overall than AAA compared to VMC++, but AAA ...

International Nuclear Information System (INIS)

Recently, molecular clusters are the subject of several experimental and computational studies by means of their bonding structures. We studied, first time, small difluorine monoxide clusters such as dimer (linear, cyclic, bifurcated), trimer and tetramer structures using B3LYP variant of density functional theory with cc-pVDZ basis set. On the basis of the optimized geometry, various energy properties such as binding energy, molecular orbital energies, two and three body interaction energies have been calculated. Additionally dipole moment, polarizability, anisotropic polarizability and hyper polarizability have been calculated and compared with monomer structure.

Energy Technology Data Exchange (ETDEWEB)

In this systematic examination of some of the spectroscopic properties of the f-elements we deal with both the trivalent lanthanides and actinides. We summarize the present status of our energy level calculations in single crystal matrices and in aqueous solution, and compare the predicted crystal-field structure in certain low-symmetry sites with that observed. Some interesting new structural insights are thereby gained. The state eigenvectors from these calculations are then used in part in reassessing and interpreting the intensities of transitions in aqueous solution via the Judd-Ofelt theory. The parameters of this theory derived from fitting experimental data are compared with those computed from model considerations. Finally, we discuss some recent contributions to the interpretation of excited state relaxation processes in aqueous solution. 79 references, 23 figures, 17 tables.

International Nuclear Information System (INIS)

The basic relationships of the convolution/superposition dose calculation technique are reviewed, and a modelling technique that can be used for obtaining a satisfactory beam model for a commercially available convolution/superposition-based treatment planning system is described. A fluence energy spectrum for a Co-60 treatment machine obtained from a Monte Carlo simulation was used for modelling the fluence spectrum for a Rokus M machine. In order to achieve this model we measured the depth dose distribution and the dose profiles with a Wellhofer dosimetry system. The primary fluence was iteratively modelled by comparing the computed depth dose curves and beam profiles with the depth dose curves and crossbeam profiles measured in a water phantom. The objective of beam modelling is to build a model of the primary fluence that the patient is exposed to, which can then be used for the calculation of the dose deposited in the ...

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

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.

International Nuclear Information System (INIS)

Experimental data on density, viscosity, and refractive index at T = (298.15, 303.15, and 308.15) K, while speed of sound values at T = 298.15 K are presented for the binary mixtures of (methylcyclohexane + benzene), methylbenzene (toluene), 1,4-dimethylbenzene (p-xylene), 1,3,5-trimethylbenzene (mesitylene), and methoxybenzene (anisole). From these data of density, viscosity, and refractive index, the excess molar volume, the deviations in viscosity, molar refraction, speed of sound, and isentropic compressibility have been calculated. The computed values have been fitted to Redlich-Kister polynomial equation to derive the coefficients and estimate the standard errors. Variations in the calculated excess quantities for these mixtures have been studied in terms of molecular interactions between the component liquids and the effects of methyl and methoxy group substitution on benzene ring.

International Nuclear Information System (INIS)

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 ...

Energy Technology Data Exchange (ETDEWEB)

It is planned to bulk-heat a unit cell of a fusion reactor solid-breeder blanket in a fission reactor to study thermo-mechanical and thermal-hydraulic properties of fusion blankets. This study investigates the neutronic feasibility of using the Power Burst Facility (PBF) for this purpose. Heating rates were calculated for a Li/sub 2/O experiment placed in the PBF test space. The ANISN code and a 56-group coupled neutron-gamma library based on FLUNG and VITAMIN C were used to compute the heating rates. The results show that an average heating rate level of 1-3 W/cc can be produced in PBF with a local power profile that should be typical of a fusion blanket unit cell.

Energy Technology Data Exchange (ETDEWEB)

Documentation and use of various economic analysis tools, especially the SOLFIN 2, KRUNCH, LSAP, and SIPP computer programs, are provided. The report deals with the use of these tools to perform the social economic analysis which underlies building standards. A brief description of life-cycle cost methodology is presented. The documentation of SOLFIN 2 is included. Description of first cost calculations and life-cycle cost sensitivity analysis are given. A detailed account of the general description of how electricity costs are calculated is given in an appendix. Program listings for KRUNCH, SIPP, and LSAP are given in Appendix B. Fuel costs for low, medium, and high conservation scenarios are presented in Appendix C. (MCW)

Energy Technology Data Exchange (ETDEWEB)

A computational model has been developed to calculate the potential and current distributions in the electrolyte phase and on the electrode surface for a system in which a part of the anode is passivated while the rest remains in the active dissolution state. The computation employs the finite element method allied with a boundary variation and a trial and error technique. From the obtained distributions, the location of the boundary between the active and passive regions on the anode can be predicted. In the case of a crevice, this means that a critical distance into the crevice exists beyond which active corrosion (crevice corrosion) takes place. In addition to the active/passive behavior of the material, solution conductivity, applied potential at the sample's outer surface, crevice gap and depth dimensions, and passive current density influence this critical distance to different degrees. The developed software ...

Energy Technology Data Exchange (ETDEWEB)

A computer program for optimization of modular cogeneration plants is introduced. Computer calculation fundamentals are discussed referring to examples which elucidate the verification of the calculated data by measured data or empirical values. The results obtained as one optimizes plants by varying their size or by splitting them into modules are introduced referring to examples. Sensitivity analyses are made to investigate the influence of parameters such as fuel prices, electricity tariffs and interest rates. (orig.) [Deutsch] Im vorliegenden Beitrag wird ein Computerprogramm zur Optimierung von BHKW-Anlagen vorgestellt. Zunaechst werden in einem ersten Schritt die Berechnungsgrundlagen an einem Beispiel in Hinblick auf ihre Ueberpruefung durch Messdaten oder durch Erfahrungswerte diskutiert. Dann werden in einem zweiten Schritt exemplarisch die Ergebnisse einer Optimierung durch Variation der ...

Science.gov (United States)

Cross sections for excitation induced by electron collision between low-lying 1s{sup 2}2s{sup 2}2p{sup 5} and 1s{sup 2}2s2p{sup 6} states of f-like selenium and from these states to singly excited states with the excited electron occupying the M shell have been calculated by relativistic distorted-wave Born procedures. The GRASP{sup 2} code was used for the atomic structure calculations. The continuum orbitals for the construction of continuum states were computed in the distorted-wave approximation, in which the distorted-wave potential used was the spherically averaged potential of the nucleus plus the potential of the bound electrons of the bound state. The cross sections for excitations were computed first by a 233-level multiconfiguration Dirac-Fock (MCDF) configuration expansion and then by a 279-level MCDF configuration expansion. The latter procedure, which also took into account contributions ...

International Nuclear Information System (INIS)

Twenty eight reports presented in the 7th Eurotherm seminar are contained in this publication. They cover the main aspects of the thermodynamics in relation to nuclear systems or having reference to them.

Energy Technology Data Exchange (ETDEWEB)

This paper presents a set of heuristics useful for optimal design of heat-exchange networks and integrated heat and power systems. These heuristics consolidate other approaches reported in the literature in a formalism useful for design purposes.

UK PubMed Central (United Kingdom)

We develop and investigate numerically a thermodynamically consistent model of two-dimensional multicomponent vesicles in an incompressible viscous fluid. The model is derived using an energy...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

We describe a class of organic molecular magnets based on zwitterionic molecules (betaine derivatives) possessing donor, p bridge, and acceptor groups. Using extensive electronic structure calculations we show the electronic ground-state in these systems is magnetic. In addition, we show that the large energy differences computed for the various magnetic states indicate a high Neel temperature. The quantum mechanical nature of the magnetic properties originates from the conjugated p bridge (only p electrons) in cooperation with the molecular donor-acceptor character. The exchange interactions between electron spin are strong, local, and independent on the length of the p bridge.

Energy Technology Data Exchange (ETDEWEB)

A centralized, automatic monitoring system for coal mines has been developed. The system consists of newly-developed and improved sensors, transmission equipment, a minicomputer designed for scientific and technical calculations, and accompanying software (MOLES). MOLES performs six functions: input, computation, decision, memory, output and correction. Previously, centralized monitoring has been limited to single dimensional monitoring of the 'time and point' type. The present system carries out data analysis and processing with respect to time, space and item. It is also capable of simple automatic diagnosis of abnormalities. (In Japanese)

Energy Technology Data Exchange (ETDEWEB)

This document describes testing and computation procedures used to generate a photovoltaic Module Energy Rating (MER). The MER consists of 10 estimates of the amount of energy a single module of a particular type (make and model) will produce in one day. Module energy values are calculated for each of five different sets of weather conditions (defined by location and date) and two load types. Because reproduction of these exact testing conditions in the field or laboratory is not feasible, limited testing and modeling procedures and assumptions are specified.

Energy Technology Data Exchange (ETDEWEB)

The present paper investigates the peristaltic transport of a couple stress fluid in an asymmetric channel with the effect of the induced magnetic field. The exact solutions of momentum and the magnetic field equations have been calculated under the assumptions of long wave length and low but finite Reynolds number. The expression for pressure rise has been computed numerically using mathematics software Mathematica. The graphical results have been presented to discuss the physical behavior of various physical parameters of interest. Finally, the trapping phenomena have been discussed for various physical parameters. (orig.)

International Nuclear Information System (INIS)

A non-linear mathematical model of dynamics of horizontal steam generator for nuclear power unit with WWER type reactor is presented. To realize this model the GEMMA-120 simulation language for computer Odra-1204 has been used. Necessity of taking into account disposited thermal storage capacities along tubulation of a primary cycle is demonstrated. A number of lumped elements of reactor division against a required static accuracy of calculations has been determined. (author).

Energy Technology Data Exchange (ETDEWEB)

During this reporting period, the work supported under DOE Grant No. FG02-87ER40326.A003 has resulted in one publication, two papers submitted to Phys. Rev. C for publication, and one paper presented at a professional meeting. During this period, modifications were made to the interactive R-Matrix fitting computer program DSIG to include the total radiation widths in the R-Matrix calculation of the cross section. The R-Matrix analyses of n+{sup 90}Zr and n+{sup 208}Pn have already begun.

International Nuclear Information System (INIS)

FLOWER, a computer code recommended by USNRC for assessing the environmental impact in tidal regions, was adapted and improved so as to be suitable to deal with the influence of drift stream along seashore to the dilution of contaminants and heat in the bay mouth. And the code outputs were presented with more mid-results such as average concentrations and temperature values for all tides considered. Finally, the modified code is applied to the dispersion calculation of heat and liquid effluents from Daya Bay Nuclear Power Plant, and the impacts from routine operation of the plant on Daya Bay sea waters were given.

International Nuclear Information System (INIS)

The Gamma Physics (GaP) program of physical phenomena investigation is proposed on #gamma#p, #gamma#e and #gamma##gamma# colliders at TeV energies. The program contains specialized software (CompHEP system) created for automation of particle interaction processes calculations in the framework of various gauge models. Preliminary physical results are presented (heavy quark production, W, Z production, supersymmetry etc.), and further software development is suggested. (R.P.) 22 refs., 8 figs., 4 tabs.

Energy Technology Data Exchange (ETDEWEB)

For the determination of top dead center (TDC) of a running engine a measuring system using microwaves was developed by AEG and Volkswagen AG. The measuring method utilizes the Doppler shift of the microwaves, which were reflected at the up and down moving piston, and the varying resonance properties of the combustion chamber. The system works with a frequency of 61.4 GHz and can be used as well for spark ignition as form compression ignition engines, particularly for direct injection engines. The output signal is symmetrical to TDC. For data acquisition and data processing, i.e. the calculation of the point of symmetry, the computer system FARES is used in a special assembly.

Science.gov (United States)

This article examines problems relating to the calculation of the position of regions of limited solubility of components in the liquid state for four-component systems. An approach based on the use of criterion of stability with respect to diffusion for obtaining equations which describe the region of stratification of the liquid phase in a four-component system is used. The authors used a ES-1020 computer to analyze the critical phenomena in Al-In-P-Sb, Al-Ga-In-P, Al-Ga-In-As, and In-Ga-As-P systems. The position of the spinode in the phase diagram of a four-component system is obtained.

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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.

International Nuclear Information System (INIS)

When analyzing the loss-of-coolant accidents at VVER reactor NPP the problem of the effect of noncondensable gases on heat transfer in a horizontal steam generator (HSG) is gaining in importance. Based on the RELAP5/MOD3.2 computer code one analyzed the experiments to condense steam-and-gas mixture in a HSG. The calculations are shown to predict satisfactorily duration of steam generator poisoning from noncondensable gas

Energy Technology Data Exchange (ETDEWEB)

Computational fluid dynamics(CFD) code FLUENT was used to simulate the thermal hydraulic processes occurring in conceptual design of the accelerator-driven subcritical reactor(ADSR) liquid lead target. The purpose of the analysis is to investigate the thermal hydraulic characteristics of liquid lead as ADSR target material with various target geometries and injection locations of proton beam. In the calculation analysis, the local temperature of the liquid lead target rises to the boiling temperature very rapidly. When the proton beam is injected from the bottom of the target system, the duration time to reach the boiling temperature is longer and the temperature distribution is flatter than other cases.

International Nuclear Information System (INIS)

Since April, 1985, we have, in co-operation with the Fuji Film Co., Ltd., used Fuji Computed Radiography (FCR) in the diagnosis of spinal disorders. FCR is a new computed radiographic system which uses an energy-storage phosphorus panel called an ''Imaging Plate'' as an image sensor. The ''Imaging Plate'' can be used to obtain radiographs in exactly the same way as the screen-film combination used in conventional radiography; X-rays are exposed on the ''Imaging Plate'' instead of X-ray film in the conventional fashion, and then the ''Imaging Plate'' is calculated. The processed digital data from the scans is transformed into a picture by means of digital-to-analogue conversion. The pictures are always clear and beautiful. Plain films of the spine taken by FCR are even clearer, even in the cervicothoracic region, where it is usually difficult to obtain clear cervicothoracic films in conventional radiography. We can obtain ...

International Nuclear Information System (INIS)

The Fast Flux Test Facility (FFTF) is a liquid-metal-cooled test reactor located on the Hanford site. A dual computer system has been developed to monitor the reactor cover gas to detect and characterize any fuel or test pin fission gas releases. The system acquires gamma spectra data, identifies isotopes, calculates specific isotope and overall cover gas activity, presents control room alarms and displays, and records and prints data and analysis reports. The fission gas monitor system makes extensive use of commercially available hardware and software, providing a reliable and easily maintained system. The design provides extensive automation of previous manual operations, reducing the need for operator training and minimizing the potential for operator error. The dual nature of the system allows one monitor to be taken out of service for periodic tests or maintenance without interrupting the overall system functions. A built-in calibrated ...

Energy Technology Data Exchange (ETDEWEB)

A thermal model is formulated for the determination of the emergency transient ampacities of a three phase, horizontally spaced underground cable system. The model is based on a finite difference heat transfer analysis and the principle of superposition which permits the summation of the temperature rise of individual heat sources to eventually provide for the temperature rise of a multiple cable system. The thermal model is transformed into a complex computer program that is capable of calculating the real time cable temperature for any change in conductor current. The program is used to calculate the response of conductor temperatures caused by both ramp and step changes in currents for four conductor sizes between 4/0 and 1500 kcmil. The amount of time to reach conductor temperatures of 100/sup 0/C and 120/sup 0/C from a steady conductor temperature of 75/sup 0/C is calculated for the different ...

Energy Technology Data Exchange (ETDEWEB)

We present an efficient parallel algorithm and its implementation for computing the diagonal of $H^-1$ where $H$ is a 2D Kohn-Sham Hamiltonian discretized on a rectangular domain using a standard second order finite difference scheme. This type of calculation can be used to obtain an accurate approximation to the diagonal of a Fermi-Dirac function of $H$ through a recently developed pole-expansion technique \\cite{LinLuYingE2009}. The diagonal elements are needed in electronic structure calculations for quantum mechanical systems \\citeHohenbergKohn1964, KohnSham 1965,DreizlerGross1990. We show how elimination tree is used to organize the parallel computation and how synchronization overhead is reduced by passing data level by level along this tree using the technique of local buffers and relative indices. We analyze the performance of our implementation by examining its load balance and communication ...

Science.gov (United States)

Description of courses, curriculum and degree program. "Ceramic and materials engineers design, develop, and participate in the manufacture of both standard and new materials intended for use in a wide variety of industries with diverse applications. These range from the semi-conductor to the aerospace and finally to the traditional ceramics industry. The broad scope of industrial responsibilities handled by ceramic and materials engineers requires knowledge in mathematics, science, engineering, and the social sciences, skills in problem solving, engineering analysis, design, and written and oral communication. The baccalaureate program integrates laboratory with classroom experiences to prepare students for life-long learning. Courses covering thermodynamics, kinetics, mechanical behavior, processing and characterization of materials prepare students for careers in industry and/or for graduate school. Clemson University baccalaureate graduates in Ceramic and ...

Science.gov (United States)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al{sub 0.5}Ga{sub 0.5}As and In{sub 0.53}Ga{sub 0.47}As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, {ital E}({Gamma}{sub 1{ital c}}) of AlP, {ital E}({ital L}{sub 1{ital c}}) of AlAs, and {ital E}({ital L}{sub 1{ital c}}) of AlSb are discussed and attributed to various experimental uncertainties. Several other ...

Science.gov (United States)

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 B3LYP/cc-pVTZ, which is, however, ca. 8 times ...

International Nuclear Information System (INIS)

The purpose of this work was to study and quantify the differences in dose distributions computed with some of the newest dose calculation algorithms available in commercial planning systems. The study was done for clinical cases where large density inhomogeneities were present. Three dose algorithms were used: a pencil beam like algorithm, the anisotropic analytic algorithm (AAA), a convolution superposition algorithm, collapsed cone convolution (CCC) and a Monte Carlo program, voxel Monte Carlo (VMC++). The dose calculation algorithms were compared under static field irradiations at 6 MV and 15 MV using multileaf collimators and hard wedges where necessary. Five clinical cases were studied: three lung and two breast cases. We found that the CCC algorithm performed overall better than AAA compared to VMC++, but AAA remains an attractive option for routine use in the clinic due to its short computation ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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, using information ...

International Nuclear Information System (INIS)

The Department of Nuclear Engineering and Fluid Mechanics in the University of the Basque Country (UPV-EHU), has done calculations for the proposed benchmark problem, in the frame of the 11th international meeting of the IAHR working group on advanced nuclear reactors thermal-hydraulics (Obninsk-Russian Federation, 5-9 July 2004). The purpose of the benchmark is to compare experimental and analytical results of some experiments carried out in the State Scientific Center of Russian Federation 'Institute of Physics and Power Engineering' (SSC RF IPPE). These experiments were held to research the cooling of pin bundles by liquid metals in reference to the core of Nuclear Reactors such as BREST. The analytical results have been done with the Computational Fluid Dynamics (CFD) code FLUENT. Temperature and velocity fields are the main variables considered for the comparison, and some assumptions has been made in order to simplify a complicate ...