Development of an atmospheric diffusion numerical model for a nuclear facility. Numerical calculation method incorporating building effects

International Nuclear Information System (INIS)

Sada, Koichi; Michioka, Takenobu; Ichikawa, Yoichi

2002-01-01

Because effluent gas is sometimes released from low positions, viz., near the ground surface and around buildings, the effects caused by buildings within the site area are not negligible for gas diffusion predictions. For these reasons, the effects caused by buildings for gas diffusion are considered under the terrain following calculation coordinate system in this report. Numerical calculation meshes on the ground surface are treated as the building with the adaptation of wall function techniques of turbulent quantities in the flow calculations using a turbulence closure model. The reflection conditions of released particles on building surfaces are taken into consideration in the diffusion calculation using the Lagrangian particle model. Obtained flow and diffusion calculation results are compared with those of wind tunnel experiments around the building. It was apparent that features observed in a wind tunnel, viz., the formation of cavity regions behind the building and the gas diffusion to the ground surface behind the building, are also obtained by numerical calculation. (author)

Numerical calculation of two-phase flows

International Nuclear Information System (INIS)

Travis, J.R.; Harlow, F.H.; Amsden, A.A.

1975-06-01

The theoretical study of time-varying two-phase flow problems in several space dimensions introduces such a complicated set of coupled nonlinear partial differential equations that numerical solution procedures for high-speed computers are required in almost all but the simplest examples. Efficient attainment of realistic solutions for practical problems requires a finite- difference formulation that is simultaneously implicit in the treatment of mass convection, equations of state, and the momentum coupling between phases. Such a method is described, the equations on which it is based are discussed, and its properties are illustrated by means of examples. In particular, the capability for calculating physical instabilities and other time-varying dynamics, at the same time avoiding numerical instability is emphasized. The computer code is applicable to problems in reactor safety analysis, the dynamics of fluidized dust beds, raindrops or aerosol transport, and a variety of similar circumstances, including the effects of phase transitions and the release of latent heat or chemical energy. (U.S.)

Advanced Dynamics Analytical and Numerical Calculations with MATLAB

CERN Document Server

Marghitu, Dan B

2012-01-01

Advanced Dynamics: Analytical and Numerical Calculations with MATLAB provides a thorough, rigorous presentation of kinematics and dynamics while using MATLAB as an integrated tool to solve problems. Topics presented are explained thoroughly and directly, allowing fundamental principles to emerge through applications from areas such as multibody systems, robotics, spacecraft and design of complex mechanical devices. This book differs from others in that it uses symbolic MATLAB for both theory and applications. Special attention is given to solutions that are solved analytically and numerically using MATLAB. The illustrations and figures generated with MATLAB reinforce visual learning while an abundance of examples offer additional support. This book also: Provides solutions analytically and numerically using MATLAB Illustrations and graphs generated with MATLAB reinforce visual learning for students as they study Covers modern technical advancements in areas like multibody systems, robotics, spacecraft and des...

Advanced numerical methods for three dimensional two-phase flow calculations in PWR

International Nuclear Information System (INIS)

Toumi, I.; Gallo, D.; Royer, E.

1997-01-01

This paper is devoted to new numerical methods developed for three dimensional two-phase flow calculations. These methods are finite volume numerical methods. They are based on an extension of Roe's approximate Riemann solver to define convective fluxes versus mean cell quantities. To go forward in time, a linearized conservative implicit integrating step is used, together with a Newton iterative method. We also present here some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. This kind of numerical method, which is widely used for fluid dynamic calculations, is proved to be very efficient for the numerical solution to two-phase flow problems. This numerical method has been implemented for the three dimensional thermal-hydraulic code FLICA-4 which is mainly dedicated to core thermal-hydraulic transient and steady-state analysis. Hereafter, we will also find some results obtained for the EPR reactor running in a steady-state at 60% of nominal power with 3 pumps out of 4, and a thermal-hydraulic core analysis for a 1300 MW PWR at low flow steam-line-break conditions. (author)

On the theories, techniques, and computer codes used in numerical reactor criticality and burnup calculations

International Nuclear Information System (INIS)

El-Osery, I.A.

1981-01-01

The purpose of this paper is to discuss the theories, techniques and computer codes that are frequently used in numerical reactor criticality and burnup calculations. It is a part of an integrated nuclear reactor calculation scheme conducted by the Reactors Department, Inshas Nuclear Research Centre. The crude part in numerical reactor criticality and burnup calculations includes the determination of neutron flux distribution which can be obtained in principle as a solution of Boltzmann transport equation. Numerical methods used for solving transport equations are discussed. Emphasis are made on numerical techniques based on multigroup diffusion theory. These numerical techniques include nodal, modal, and finite difference ones. The most commonly known computer codes utilizing these techniques are reviewed. Some of the main computer codes that have been already developed at the Reactors Department and related to numerical reactor criticality and burnup calculations have been presented

Hybrid numerical calculation method for bend waveguides

OpenAIRE

Garnier , Lucas; Saavedra , C.; Castro-Beltran , Rigoberto; Lucio , José Luis; Bêche , Bruno

2017-01-01

National audience; The knowledge of how the light will behave in a waveguide with a radius of curvature becomes more and more important because of the development of integrated photonics, which include ring micro-resonators, phasars, and other devices with a radius of curvature. This work presents a numerical calculation method to determine the eigenvalues and eigenvectors of curved waveguides. This method is a hybrid method which uses at first conform transformation of the complex plane gene...

THE NUMERICAL ALGORITHM FOR CALCULATING TEMPERATURE FIELDS OF THE PNEUMATIC TIRES DURING VULCANIZATION

Directory of Open Access Journals (Sweden)

S. G. Tikhomirov

2015-01-01

Full Text Available In the article discussed the mathematical formulation and numerical algorithm for solving the problem of calculating the temperature field in the process vulcanizing of the product, whose the thermal characteristics are depended on the temperature. As a mathematical model considered the system of differential equations of heat conduction, taking into account the change in the coefficients of thermal conductivity and heat density in multilayer product of the temperature. The system of equations is solved for a given initial distribution of temperature and for a given (time-dependent temperatures on the border of the product to the press-mold and to the diaphragm. On the border of the contacts of adjacent layers are given the condition of continuity of temperature and heat flux. Change of the thermal conductivity from the time is approximated by linear functions. The activation energy of the vulcanization process is determined on the basis of experimental data obtained in the control test samples using a reometer. Considering the function representing the corresponding integrals of the thermal conductivity, the original system of differential equations is transformed to an equivalent system of differential equations convenient for constructing numerical algorithms for solving the problem. The resulting system of partial differential equations derived using the method of finite-difference approximation is replaced by a system of algebraic equations. Solution of the system of algebraic equations is carried out under the scheme explicit difference approximation. In the article calculated the temperature field for the tire at given initial and boundary conditions. Stability and accuracy of the numerical algorithm for solving the problem is demonstrated by the calculations performed with different sampling step along the time and space coordinates. Assessment of the degree of completion of the process is carried out by calculated equivalent time for

Distributed Sensor Network for meteorological observations and numerical weather Prediction Calculations

Directory of Open Access Journals (Sweden)

Á. Vas

2013-06-01

Full Text Available The prediction of weather generally means the solution of differential equations on the base of the measured initial conditions where the data of close and distant neighboring points are used for the calculations. It requires the maintenance of expensive weather stations and supercomputers. However, if weather stations are not only capable of measuring but can also communicate with each other, then these smart sensors can also be applied to run forecasting calculations. This applies the highest possible level of parallelization without the collection of measured data into one place. Furthermore, if more nodes are involved, the result becomes more accurate, but the computing power required from one node does not increase. Our Distributed Sensor Network for meteorological sensing and numerical weather Prediction Calculations (DSN-PC can be applied in several different areas where sensing and numerical calculations, even the solution of differential equations, are needed.

Numeric calculation of celestial bodies with spreadsheet analysis

Science.gov (United States)

Koch, Alexander

2016-04-01

The motion of the planets and moons in our solar system can easily be calculated for any time by the Kepler laws of planetary motion. The Kepler laws are a special case of the gravitational law of Newton, especially if you consider more than two celestial bodies. Therefore it is more basic to calculate the motion by using the gravitational law. But the problem is, that by gravitational law it is not possible to calculate the state of motion with only one step of calculation. The motion has to be numerical calculated for many time intervalls. For this reason, spreadsheet analysis is helpful for students. Skills in programmes like Excel, Calc or Gnumeric are important in professional life and can easily be learnt by students. These programmes can help to calculate the complex motions with many intervalls. The more intervalls are used, the more exact are the calculated orbits. The sutdents will first get a quick course in Excel. After that they calculate with instructions the 2-D-coordinates of the orbits of Moon and Mars. Step by step the students are coding the formulae for calculating physical parameters like coordinates, force, acceleration and velocity. The project is limited to 4 weeks or 8 lessons. So the calcualtion will only include the calculation of one body around the central mass like Earth or Sun. The three-body problem can only be shortly discussed at the end of the project.

A contribution to the numerical calculation of static electromagnetic fields in unbounded domains

International Nuclear Information System (INIS)

Krawczyk, F.

1990-11-01

The numerical calculation of static electromagnetic fields for arbitrarily shaped three-dimensional structures, especially in unbounded domains, is very memory and cpu-time consuming. In this thesis several schemes that reduce memory and cpu-time consumption have been developed or introduced. The memory needed can be reduced by a special simulation of boundaries towards open space and by the use of a scalar potential for the field description. Known disadvantages of the use of such a potential are avoided by an improved formulation of the used algorithms. The cpu-time for the calculations can be reduced remarkably in many cases by using a multigrid solution scheme including a defect-correction. A computer code has been written that uses these algorithms. With the help of this program it has been demonstrated that using these algorithms, distinct improvements in terms of computer memory, cpu-time consumption and accuracy can be achieved. (orig.) [de

Numerical shoves and countershoves in electron transport calculations

International Nuclear Information System (INIS)

Filippone, W.L.

1986-01-01

The justification for applying the relatively complex (compared to S/sub n/) streaming ray (SR) algorithm to electron transport problems is its potential for doing rapid and accurate calculations. Because of the Lagrangian treatment of the cell-uncollided electrons, the only significant sources of error are the numerical treatment of the scattering kernel and the spatial differencing scheme used for the cell-collided electrons. Considerable progress has been made in reducing the former source of error. If one is willing to pay the price, the latter source of error can be reduced to any desired level by refining the mesh size or by using high-order differencing schemes. Here the method of numerical shoves and countershoves is introduced, which reduces spatial differencing errors using relatively little additional computational effort

Numerical Calculation of the Output Power of a MHD Generator

Directory of Open Access Journals (Sweden)

Adrian CARABINEANU

2014-12-01

Full Text Available Using Lazăr Dragoş’s analytic solution for the electric potential we perform some numerical calculations in order to find the characteristics of a Faraday magnetohydrodymamics (MHD power generator (total power, useful power and Joule dissipation power.

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

Directory of Open Access Journals (Sweden)

Joachimiak Damian

2015-06-01

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

Experimental verification of numerical calculations of railway passenger seats

Science.gov (United States)

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

2018-04-01

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

Numerical calculations on heterogeneity of groundwater flow

International Nuclear Information System (INIS)

Follin, S.

1992-01-01

The upscaling of model parameters is a key issue in many research fields concerned with parameter heterogeneity. The upscaling process allows for fewer model blocks and relaxes the numerical problems caused by high contrasts in the hydraulic conductivity. The trade-offs are dependent on the object but the general drawback is an increasing uncertainty about the representativeness. The present study deals with numerical calculations of heterogeneity of groundwater flow and solute transport in hypothetical blocks of fractured hard rock in a '3m scale' and addresses both conceptual and practical problems in numerical simulation. Evidence that the hydraulic conductivity (K) of the rock mass between major fracture zones is highly heterogeneous in a 3m scale is provided by a large number of field investigations. The present uses the documented heterogeneity and investigates flow and transport in a two-dimensional stochastic continuum characterized by a variance in Y = In(K) of σ y 2 = 16, corresponding to about 12 log 10 cycles in K. The study considers anisotropy, channelling, non-Fickian and Fickian transport, and conditional simulation. The major conclusions are: * heterogeneity gives rise to anisotropy in the upscaling process, * the choice of support scale is crucial for the modelling of solute transport. As a consequence of the obtained results, a two-dimensional stochastic discontinuum model is presented, which provides a tool for linking stochastic continuum models to discrete fracture network models. (au) (14 figs., 136 refs.)

On a method of numerical calculation of nonlinear radial pulsations of stars

International Nuclear Information System (INIS)

Kosovichev, A.G.

1984-01-01

Some features of using the finite difference method for numerical investigation of nonradial pulsations of stars were considered. The mathematical model of these pulsations is described by time-dependent gasdynaMic equations with gravity. A one-dimentional (spherically-symmetric) case is considered. It was obtained a two-parametric family of ultimate conservative difference schemes where the diffepence analogy of the main conservative laws as well as the additional relations for the balance to individual kinds of energy are performed. Such difference schemes provide more exact calculation of nonlinear flows with shocks as compared with the other difference schemes with the same order of approximation. The methods of numerical solution of implicit (absolute stable) difference schemes for a given family were considered. The coupled equations are solved through iterative Newton method Using martrix and separate successive eliminations. Numerical method can be used for calculation of large amplitude radial pulsations of stars

A numerical calculation method of environmental impacts for the deep sea mining industry - a review.

Science.gov (United States)

Ma, Wenbin; van Rhee, Cees; Schott, Dingena

2018-03-01

Since the gradual decrease of mineral resources on-land, deep sea mining (DSM) is becoming an urgent and important emerging activity in the world. However, until now there has been no commercial scale DSM project in progress. Together with the reasons of technological feasibility and economic profitability, the environmental impact is one of the major parameters hindering its industrialization. Most of the DSM environmental impact research focuses on only one particular aspect ignoring that all the DSM environmental impacts are related to each other. The objective of this work is to propose a framework for the numerical calculation methods of the integrated DSM environmental impacts through a literature review. This paper covers three parts: (i) definition and importance description of different DSM environmental impacts; (ii) description of the existing numerical calculation methods for different environmental impacts; (iii) selection of a numerical calculation method based on the selected criteria. The research conducted in this paper provides a clear numerical calculation framework for DSM environmental impact and could be helpful to speed up the industrialization process of the DSM industry.

MATH: A Scientific Tool for Numerical Methods Calculation and Visualization

Directory of Open Access Journals (Sweden)

Henrich Glaser-Opitz

2016-02-01

Full Text Available MATH is an easy to use application for various numerical methods calculations with graphical user interface and integrated plotting tool written in Qt with extensive use of Qwt library for plotting options and use of Gsl and MuParser libraries as a numerical and parser helping libraries. It can be found at http://sourceforge.net/projects/nummath. MATH is a convenient tool for use in education process because of its capability of showing every important step in solution process to better understand how it is done. MATH also enables fast comparison of similar method speed and precision.

Accuracy requirements for the calculation of gravitational waveforms from coalescing compact binaries in numerical relativity

International Nuclear Information System (INIS)

Miller, Mark

2005-01-01

I discuss the accuracy requirements on numerical relativity calculations of inspiraling compact object binaries whose extracted gravitational waveforms are to be used as templates for matched filtering signal extraction and physical parameter estimation in modern interferometric gravitational wave detectors. Using a post-Newtonian point particle model for the premerger phase of the binary inspiral, I calculate the maximum allowable errors for the mass and relative velocity and positions of the binary during numerical simulations of the binary inspiral. These maximum allowable errors are compared to the errors of state-of-the-art numerical simulations of multiple-orbit binary neutron star calculations in full general relativity, and are found to be smaller by several orders of magnitude. A post-Newtonian model for the error of these numerical simulations suggests that adaptive mesh refinement coupled with second-order accurate finite difference codes will not be able to robustly obtain the accuracy required for reliable gravitational wave extraction on Terabyte-scale computers. I conclude that higher-order methods (higher-order finite difference methods and/or spectral methods) combined with adaptive mesh refinement and/or multipatch technology will be needed for robustly accurate gravitational wave extraction from numerical relativity calculations of binary coalescence scenarios

Numerical kinematic transformation calculations for a parallel link manipulator

International Nuclear Information System (INIS)

Killough, S.M.

1993-01-01

Parallel link manipulators are often considered for particular robotic applications because of the unique advantages they provide. Unfortunately, they have significant disadvantages with respect to calculating the kinematic transformations because of the high-order equations that must be solved. Presented is a manipulator design that exploits the mechanical advantages of parallel links yet also has a corresponding numerical kinematic solution that can be solved in real time on common microcomputers

Current system of the solar wind: results of numerical calculation

International Nuclear Information System (INIS)

Pisanko, Yu.V.

1985-01-01

Results of numerical calculations of surface current in the interplanetary current layer and steady volume current in the solar wind for heliocentric distances (1-10)Rsub(s) (Rsub(s) is the Sun radius) are given. The strength of current dependence on spatial coordinates is considered. Stationary nondissipative magnetohydrodynamic corona expansion (SNMCE) in the reference system rotating with the Sun is studied. Calculations show that three-dimensional current system of nonaxial-symmetric and nonsymmetric relatively to helioequator plane of SNMCE is more complicated than the zonal ring current around the Sun, which is the only component of the current system in spatial symmetric case

Numerical calculation of velocity distribution near a vertical flat plate immersed in bubble flow

International Nuclear Information System (INIS)

Matsuura, Akihiro; Nakamura, Hajime; Horihata, Hideyuki; Hiraoka, Setsuro; Aragaki, Tsutomu; Yamada, Ikuho; Isoda, Shinji.

1992-01-01

Liquid and gas velocity distributions for bubble flow near a vertical flat plate were calculated numerically by using the SIMPLER method, where the flow was assumed to be laminar, two-dimensional, and at steady state. The two-fluid flow model was used in the numerical analysis. To calculate the drag force on a small bubble, Stokes' law for a rigid sphere is applicable. The dimensionless velocity distributions which were arranged with characteristic boundary layer thickness and maximum liquid velocity were adjusted with a single line and their forms were similar to that for single-phase wall-jet flow. The average wall shear stress derived from the velocity gradient at the plate wall was strongly affected by bubble diameter but not by inlet liquid velocity. The present dimensionless velocity distributions obtained numerically agreed well with previous experimental results, and the proposed numerical algorithm was validated. (author)

Sensitivity to Nuclear Data and Neutron Source Type in Calculations of Transmutation Capabilities of the Energy Amplifier Demonstration Facility

International Nuclear Information System (INIS)

Dahlfors, Marcus

2003-05-01

This text is a summary of two studies the author has performed within the field of 3-D Monte Carlo calculations of Accelerator Driven Systems (ADS) for transmutation of nuclear waste. The simulations were carried out with the state-of-the-art computer code package EA-MC, developed by C. Rubbia and his group at CERN. The concept studied is ANSALDOs 80 MWth Energy Amplifier Demonstration Facility based on classical MOX-fuel technology and on molten Lead-Bismuth Eutectic cooling. A review of neutron cross section sensitivity in numerical calculations of an ADS and a comparative assessment relevant to the transmutation efficiency of plutonium and minor actinides in fusion/fission hybrids and ADS are presented

Sensitivity to Nuclear Data and Neutron Source Type in Calculations of Transmutation Capabilities of the Energy Amplifier Demonstration Facility

Energy Technology Data Exchange (ETDEWEB)

Dahlfors, Marcus

2003-05-01

This text is a summary of two studies the author has performed within the field of 3-D Monte Carlo calculations of Accelerator Driven Systems (ADS) for transmutation of nuclear waste. The simulations were carried out with the state-of-the-art computer code package EA-MC, developed by C. Rubbia and his group at CERN. The concept studied is ANSALDOs 80 MWth Energy Amplifier Demonstration Facility based on classical MOX-fuel technology and on molten Lead-Bismuth Eutectic cooling. A review of neutron cross section sensitivity in numerical calculations of an ADS and a comparative assessment relevant to the transmutation efficiency of plutonium and minor actinides in fusion/fission hybrids and ADS are presented.

Time domain numerical calculations of the short electron bunch wakefields in resistive structures

Energy Technology Data Exchange (ETDEWEB)

Tsakanian, Andranik

2010-10-15

The acceleration of electron bunches with very small longitudinal and transverse phase space volume is one of the most actual challenges for the future International Linear Collider and high brightness X-Ray Free Electron Lasers. The exact knowledge on the wake fields generated by the ultra-short electron bunches during its interaction with surrounding structures is a very important issue to prevent the beam quality degradation and to optimize the facility performance. The high accuracy time domain numerical calculations play the decisive role in correct evaluation of the wake fields in advanced accelerators. The thesis is devoted to the development of a new longitudinally dispersion-free 3D hybrid numerical scheme in time domain for wake field calculation of ultra short bunches in structures with walls of finite conductivity. The basic approaches used in the thesis to solve the problem are the following. For materials with high but finite conductivity the model of the plane wave reflection from a conducting half-space is used. It is shown that in the conductive half-space the field components perpendicular to the interface can be neglected. The electric tangential component on the surface contributes to the tangential magnetic field in the lossless area just before the boundary layer. For high conducting media, the task is reduced to 1D electromagnetic problem in metal and the so-called 1D conducting line model can be applied instead of a full 3D space description. Further, a TE/TM (''transverse electric - transverse magnetic'') splitting implicit numerical scheme along with 1D conducting line model is applied to develop a new longitudinally dispersion-free hybrid numerical scheme in the time domain. The stability of the new hybrid numerical scheme in vacuum, conductor and bound cell is studied. The convergence of the new scheme is analyzed by comparison with the well-known analytical solutions. The wakefield calculations for a number of

An Efficient numerical method to calculate the conductivity tensor for disordered topological matter

Science.gov (United States)

Garcia, Jose H.; Covaci, Lucian; Rappoport, Tatiana G.

2015-03-01

We propose a new efficient numerical approach to calculate the conductivity tensor in solids. We use a real-space implementation of the Kubo formalism where both diagonal and off-diagonal conductivities are treated in the same footing. We adopt a formulation of the Kubo theory that is known as Bastin formula and expand the Green's functions involved in terms of Chebyshev polynomials using the kernel polynomial method. Within this method, all the computational effort is on the calculation of the expansion coefficients. It also has the advantage of obtaining both conductivities in a single calculation step and for various values of temperature and chemical potential, capturing the topology of the band-structure. Our numerical technique is very general and is suitable for the calculation of transport properties of disordered systems. We analyze how the method's accuracy varies with the number of moments used in the expansion and illustrate our approach by calculating the transverse conductivity of different topological systems. T.G.R, J.H.G and L.C. acknowledge Brazilian agencies CNPq, FAPERJ and INCT de Nanoestruturas de Carbono, Flemish Science Foundation for financial support.

A numerical approach to calculate the induced voltage in the case of conduced perturbations

Energy Technology Data Exchange (ETDEWEB)

Andretzko, J.P.; Hedjiedj, A.; Babouri, A.; Guendouz, L.; Nadi, M. [Nancy-1 Univ. Henri Poincare, Lab. d' Instrumentation Electronique de Nancy, Faculte des Sciences, 54 - Vandoeuvre les Nancy (France)

2006-07-01

This paper presents a method of numerical simulation that makes it possible to calculate the induced tension to the terminals of the cardiac pacemaker subjected to conduced disturbances. The physical model used for simulation is an experimental test bed which makes it possible to study the behaviour of pacemaker, in vitro, subjected to electromagnetic disturbances in low frequencies range (50 hz - 500 khz). The test bed in which the pacemaker is implanted is described in this article. The process of calculation uses the admittance method adapted to the case of conducted disturbances. Results obtained by numerical simulation are close to experimental values. (authors)

A numerical approach to calculate the induced voltage in the case of conduced perturbations

International Nuclear Information System (INIS)

Andretzko, J.P.; Hedjiedj, A.; Babouri, A.; Guendouz, L.; Nadi, M.

2006-01-01

This paper presents a method of numerical simulation that makes it possible to calculate the induced tension to the terminals of the cardiac pacemaker subjected to conduced disturbances. The physical model used for simulation is an experimental test bed which makes it possible to study the behaviour of pacemaker, in vitro, subjected to electromagnetic disturbances in low frequencies range (50 hz - 500 khz). The test bed in which the pacemaker is implanted is described in this article. The process of calculation uses the admittance method adapted to the case of conducted disturbances. Results obtained by numerical simulation are close to experimental values. (authors)

Comparison of Different Numerical Methods for Quality Factor Calculation of Nano and Micro Photonic Cavities

DEFF Research Database (Denmark)

Taghizadeh, Alireza; Mørk, Jesper; Chung, Il-Sug

2014-01-01

Four different numerical methods for calculating the quality factor and resonance wavelength of a nano or micro photonic cavity are compared. Good agreement was found for a wide range of quality factors. Advantages and limitations of the different methods are discussed.......Four different numerical methods for calculating the quality factor and resonance wavelength of a nano or micro photonic cavity are compared. Good agreement was found for a wide range of quality factors. Advantages and limitations of the different methods are discussed....

Numerical calculation of hadron masses in lattice quantum chromodynamics

International Nuclear Information System (INIS)

Montvay, I.

1985-07-01

Recent numerical Monte Carlo simulations of the hadron spectrum are reviewed. After a general introduction, different ways of calculating the hadron masses in the ''quenched approximation'' (i.e. neglecting virtual quark loops) are described and the latest results are summarized. The pseudofermion method and the iterative hopping expansion method for the introduction of dynamical quarks is discussed, and the first results about the hadron spectrum including the effect of virtual quark loops are reviewed. A separate section is devoted to the discussion of the questions related to scaling with dynamical quarks. (orig./HSI)

A numerical calculation method for flow discretisation in complex geometry with body-fitted grids

International Nuclear Information System (INIS)

Jin, X.

2001-04-01

A numerical calculation method basing on body fitted grids is developed in this work for computational fluid dynamics in complex geometry. The method solves the conservation equations in a general nonorthogonal coordinate system which matches the curvilinear boundary. The nonorthogonal, patched grid is generated by a grid generator which solves algebraic equations. By means of an interface its geometrical data can be used by this method. The conservation equations are transformed from the Cartesian system to a general curvilinear system keeping the physical Cartesian velocity components as dependent variables. Using a staggered arrangement of variables, the three Cartesian velocity components are defined on every cell surface. Thus the coupling between pressure and velocity is ensured, and numerical oscillations are avoided. The contravariant velocity for calculating mass flux on one cell surface is resulting from dependent Cartesian velocity components. After the discretisation and linear interpolation, a three dimensional 19-point pressure equation is found. Using the explicit treatment for cross-derivative terms, it reduces to the usual 7-point equation. Under the same data and process structure, this method is compatible with the code FLUTAN using Cartesian coordinates. In order to verify this method, several laminar flows are simulated in orthogonal grids at tilted space directions and in nonorthogonal grids with variations of cell angles. The simulated flow types are considered like various duct flows, transient heat conduction, natural convection in a chimney and natural convection in cavities. Their results achieve very good agreement with analytical solutions or empirical data. Convergence for highly nonorthogonal grids is obtained. After the successful validation of this method, it is applied for a reactor safety case. A transient natural convection flow for an optional sump cooling concept SUCO is simulated. The numerical result is comparable with the

Numerical Calculation of the Swirling Flow in a Centrifugal Compressor Volute

International Nuclear Information System (INIS)

Seong, Seon Mo; Kang, Shin Hyoung; Cho, Kyung Seok; Kim, Woo June

2007-01-01

Flows in the centrifugal compressor volute with circular cross section are numerically investigated. The computational grid for the calculation utilized a multi-block arrangement to form a butterfly grid and flow calculations are performed using commercial CFD software, CFX-TASCflow. The centrifugal compressor of this study has axial diffuser after radial diffuser because of the shape of inlet duct and installation constraints. Due to this feature the swirling flow pattern is different from the other investigations. The flow inside volute is very complex and three dimensional with strong vortex and recirculation through volute tongue. The calculation results show circumferential variations of the swirl and through flow velocity and pressure distribution. The mechanism deciding flow structure is explained by considering the force balance in volute cross section. And static pressure recovery and total pressure loss are estimated from the calculated results and compared with Japikse model

Application of a numerical transport correction in diffusion calculations

International Nuclear Information System (INIS)

Tomatis, Daniele; Dall'Osso, Aldo

2011-01-01

Full core calculations by ordinary transport methods can demand considerable computational time, hardly acceptable in the industrial work frame. However, the trend of next generation nuclear cores goes toward more heterogeneous systems, where transport phenomena of neutrons become very important. On the other hand, using diffusion solvers is more practical allowing faster calculations, but a specific formulation of the diffusion coefficient is requested to reproduce the scalar flux with reliable physical accuracy. In this paper, the Ronen method is used to evaluate numerically the diffusion coefficient in the slab reactor. The new diffusion solution is driven toward the solution of the integral neutron transport equation by non linear iterations. Better estimates of currents are computed and diffusion coefficients are corrected at node interfaces, still assuming Fick's law. This method enables obtaining closer results to the transport solution by a common solver in multigroup diffusion. (author)

Numerical Calculation of the Flow in a Centrifugal Compressor Volute

International Nuclear Information System (INIS)

Seong, Seon Mo; Kang, Shin Hyoung; Cho, Kyung Seok; Kim, Woo June

2007-01-01

Flows in the centrifugal compressor volute with circular cross section are numerically investigated. The computational domain contained inlet passage, impeller, radial and axial diffuser, and volute. The volute grid for the calculation utilized a multi-block arrangement to form a butterfly grid and flow calculations are performed using commercial CFD software, CFX-TASCflow. The centrifugal compressor of this study has the inlet passage like steps and axial diffuser after radial diffuser because of the shape of the motor cooling fins and installation constraints. Due to this feature the swirling flow pattern is different from the other investigations. The loss in through the inlet passage was considerable and the flow inside volute is very complex and three dimensional with strong vortex and recirculation through volute tongue

Direct Calculation of Permeability by High-Accurate Finite Difference and Numerical Integration Methods

KAUST Repository

Wang, Yi

2016-07-21

Velocity of fluid flow in underground porous media is 6~12 orders of magnitudes lower than that in pipelines. If numerical errors are not carefully controlled in this kind of simulations, high distortion of the final results may occur [1-4]. To fit the high accuracy demands of fluid flow simulations in porous media, traditional finite difference methods and numerical integration methods are discussed and corresponding high-accurate methods are developed. When applied to the direct calculation of full-tensor permeability for underground flow, the high-accurate finite difference method is confirmed to have numerical error as low as 10-5% while the high-accurate numerical integration method has numerical error around 0%. Thus, the approach combining the high-accurate finite difference and numerical integration methods is a reliable way to efficiently determine the characteristics of general full-tensor permeability such as maximum and minimum permeability components, principal direction and anisotropic ratio. Copyright © Global-Science Press 2016.

Activity in the fronto-parietal network indicates numerical inductive reasoning beyond calculation: An fMRI study combined with a cognitive model.

Science.gov (United States)

Liang, Peipeng; Jia, Xiuqin; Taatgen, Niels A; Borst, Jelmer P; Li, Kuncheng

2016-05-19

Numerical inductive reasoning refers to the process of identifying and extrapolating the rule involved in numeric materials. It is associated with calculation, and shares the common activation of the fronto-parietal regions with calculation, which suggests that numerical inductive reasoning may correspond to a general calculation process. However, compared with calculation, rule identification is critical and unique to reasoning. Previous studies have established the central role of the fronto-parietal network for relational integration during rule identification in numerical inductive reasoning. The current question of interest is whether numerical inductive reasoning exclusively corresponds to calculation or operates beyond calculation, and whether it is possible to distinguish between them based on the activity pattern in the fronto-parietal network. To directly address this issue, three types of problems were created: numerical inductive reasoning, calculation, and perceptual judgment. Our results showed that the fronto-parietal network was more active in numerical inductive reasoning which requires more exchanges between intermediate representations and long-term declarative knowledge during rule identification. These results survived even after controlling for the covariates of response time and error rate. A computational cognitive model was developed using the cognitive architecture ACT-R to account for the behavioral results and brain activity in the fronto-parietal network.

Numerically induced pressure excursions in two-phase-flow calculations. Final report

International Nuclear Information System (INIS)

Mahaffy, J.H.; Liles, D.R.

1983-01-01

Pressure spikes that cannot be traced to any physical origin sometimes are observed when standard Eulerian finite-difference methods are used to calculate two-phase-flow transients. This problem occurs with varying frequency in nuclear reactor safety codes such as RELAP, RETRAN, COBRA, and TRAC. These spikes usually result from numerical water packing or from interactions between spatial discretization and heat transfer

Hybrid TE-TM scheme for time domain numerical calculations of wakefields in structures with walls of finite conductivity

Directory of Open Access Journals (Sweden)

Andranik Tsakanian

2012-05-01

Full Text Available In particle accelerators a preferred direction, the direction of motion, is well defined. If in a numerical calculation the (numerical dispersion in this direction is suppressed, a quite coarse mesh and moderate computational resources can be used to reach accurate results even for extremely short electron bunches. Several approaches have been proposed in the past decades to reduce the accumulated dispersion error in wakefield calculations for perfectly conducting structures. In this paper we extend the TE/TM splitting algorithm to a new hybrid scheme that allows for wakefield calculations in structures with walls of finite conductivity. The conductive boundary is modeled by one-dimensional wires connected to each boundary cell. A good agreement of the numerical simulations with analytical results and other numerical approaches is obtained.

Planning design of Ukrainian mines by the means of numerical calculations

Energy Technology Data Exchange (ETDEWEB)

Ruppel, Ulrich; Scior, Carsten [DMT GmbH und Co. KG (DMT), Essen (Germany). Rock Mechanic Dept.

2008-08-21

Using a mine in the Ukraine as an example it is shown how the DMT performs rock mechanical and support planning or roadways in hard coal mines worldwide. Therefore it is necessary to analyse existing measurements and operating experience within a few days as well as organising further surveys on site on short notice. Based on these results the numerical models are calibrated. Using the numerical simulation technology it is possible for DMT to quantify and analyse the rock mechanical impact of different support systems within a short time. Finally the results of the numerical calculations are set in comparison in a rating matrix. Besides making a decision on implementing new roadway and support systems with the objective to use the roadways up to the second longwall panel, the rating matrix is also used for analysing the optimization potentials of existing support systems. This allows the recommendations to immediate improvement of the strata control in the miner's roadways. (orig.)

Numerical calculation of the cross section by the solution of the wave equation

International Nuclear Information System (INIS)

Drewko, J.

1982-01-01

A numerical method of solving of the wave equation is described for chosen vibrational eigenfunctions. A prepared program calculates the total cross sections for the resonant vibrational excitation for diatomic molecules on the basis of introduced molecular data. (author)

Activity in the fronto-parietal network indicates numerical inductive reasoning beyond calculation : An fMRI study combined with a cognitive model

NARCIS (Netherlands)

Liang, Peipeng; Jia, Xiuqin; Taatgen, Niels A; Borst, Jelmer P; Li, Kuncheng

2016-01-01

Numerical inductive reasoning refers to the process of identifying and extrapolating the rule involved in numeric materials. It is associated with calculation, and shares the common activation of the fronto-parietal regions with calculation, which suggests that numerical inductive reasoning may

Paradoxes in numerical calculations

Czech Academy of Sciences Publication Activity Database

Brandts, J.; Křížek, Michal; Zhang, Z.

2016-01-01

Roč. 26, č. 3 (2016), s. 317-330 ISSN 1210-0552 R&D Projects: GA ČR GA14-02067S Institutional support: RVO:67985840 Keywords : round-off errors * numerical instability * recurrence formulae Subject RIV: BA - General Mathematics Impact factor: 0.394, year: 2016

Numerical calculation of beam coupling impedances in synchrotron accelerators

International Nuclear Information System (INIS)

Haenichen, Lukas

2016-01-01

Beams of charged particles are of interest in various fields of research including particle and nuclear physics, material and medical science and many more. In synchrotron accelerators the accelerating section is passed periodically. A closed loop trajectory is enforced, by increasing the frequency of the accelerating electric field and the magnitude of the dipolar magnetic guide field synchronously. A synchrotron therefore consists of a circular assembly of various beamline elements which serve the purposes of accelerating and guiding the particle beam. For the flawless operation of such a machine it has to be assured that the particles perform a controlled motion along predefined trajectories. Amongst others, the fulfillment of the corresponding stability criteria is in close conjuction with the so-called beam coupling impedances which are an important figure of merit for collective effects in synchrotron accelerators. This work focuses on analytical and numerical methods for the calculation of beam coupling impedances. One of the primary objectives is to gain a better understanding of the electrodynamics related to charged particle beams, furthermore to recapitulate the mathematical description of charged particle beams in both time and frequency domain and finally establish the links between actual physics and numerical modeling. Analytical methods are usually restricted to symmetrical geometry and may solely serve for the approximate determination of the field distribution in real geometries or to validate certain numerical methods. More accurate prognosis is only possible with three-dimensional simulation models. Numerical simulation techniques have been established in the second half of the last century accompanying the evolution of many particle accelerators. Classical time domain codes were the prevailing simulation tools where the actual process of the particle motion sequence is reproduced. For the present case of a heavy ion synchrotron accelerator

Numerical calculation of beam coupling impedances in synchrotron accelerators

Energy Technology Data Exchange (ETDEWEB)

Haenichen, Lukas

2016-07-01

Beams of charged particles are of interest in various fields of research including particle and nuclear physics, material and medical science and many more. In synchrotron accelerators the accelerating section is passed periodically. A closed loop trajectory is enforced, by increasing the frequency of the accelerating electric field and the magnitude of the dipolar magnetic guide field synchronously. A synchrotron therefore consists of a circular assembly of various beamline elements which serve the purposes of accelerating and guiding the particle beam. For the flawless operation of such a machine it has to be assured that the particles perform a controlled motion along predefined trajectories. Amongst others, the fulfillment of the corresponding stability criteria is in close conjuction with the so-called beam coupling impedances which are an important figure of merit for collective effects in synchrotron accelerators. This work focuses on analytical and numerical methods for the calculation of beam coupling impedances. One of the primary objectives is to gain a better understanding of the electrodynamics related to charged particle beams, furthermore to recapitulate the mathematical description of charged particle beams in both time and frequency domain and finally establish the links between actual physics and numerical modeling. Analytical methods are usually restricted to symmetrical geometry and may solely serve for the approximate determination of the field distribution in real geometries or to validate certain numerical methods. More accurate prognosis is only possible with three-dimensional simulation models. Numerical simulation techniques have been established in the second half of the last century accompanying the evolution of many particle accelerators. Classical time domain codes were the prevailing simulation tools where the actual process of the particle motion sequence is reproduced. For the present case of a heavy ion synchrotron accelerator

Numerical analysis of the in-well vapor-stripping system demonstration at Edwards Air Force Base

International Nuclear Information System (INIS)

White, M.D.; Gilmore, T.J.

1996-10-01

Numerical simulations, with the Subsurface Transport Over Multiple Phases (STOMP) simulator, were applied to the field demonstration of an in-well vapor-stripping system at Edwards Air Force Base (AFB), near Mojave, California. The demonstration field site on the Edwards AFB was previously contaminated from traversing groundwater that was contained a varied composition of volatile organic compounds (VOCs), which primarily includes trichloroethylene (TCE). Contaminant TCE originated from surface basin that had been used to collect runoff during the cleaning of experimental rocket powered planes in the 1960s and 1970s. This report documents those simulations and associated numerical analyses. A companion report documents the in- well vapor-stripping demonstration from a field perspective

Numerical methods for calculating thermal residual stresses and hydrogen diffusion

International Nuclear Information System (INIS)

Leblond, J.B.; Devaux, J.; Dubois, D.

1983-01-01

Thermal residual stresses and hydrogen concentrations are two major factors intervening in cracking phenomena. These parameters were numerically calculated by a computer programme (TITUS) using the FEM, during the deposition of a stainless clad on a low-alloy plate. The calculation was performed with a 2-dimensional option in four successive steps: thermal transient calculation, metallurgical transient calculation (determination of the metallurgical phase proportions), elastic-plastic transient (plain strain conditions), hydrogen diffusion transient. Temperature and phase dependence of hydrogen diffusion coefficient and solubility constant. The following results were obtained: thermal calculations are very consistent with experiments at higher temperatures (due to the introduction of fusion and solidification latent heats); the consistency is not as good (by 70 degrees) for lower temperatures (below 650 degrees C); this was attributed to the non-introduction of gamma-alpha transformation latent heat. The metallurgical phase calculation indicates that the heat affected zone is almost entirely transformed into bainite after cooling down (the martensite proportion does not exceed 5%). The elastic-plastic calculations indicate that the stresses in the heat affected zone are compressive or slightly tensile; on the other hand, higher tensile stresses develop on the boundary of the heat affected zone. The transformation plasticity has a definite influence on the final stress level. The return of hydrogen to the clad during the bainitic transformation is but an incomplete phenomenon and the hydrogen concentration in the heat affected zone after cooling down to room temperature is therefore sufficient to cause cold cracking (if no heat treatment is applied). Heat treatments are efficient in lowering the hydrogen concentration. These results enable us to draw preliminary conclusions on practical means to avoid cracking. (orig.)

Numerical Calculation and Measurement of Nonlinear Acoustic Fields in Ultrasound Diagnosis

Science.gov (United States)

Kawagishi, Tetsuya; Saito, Shigemi; Mine, Yoshitaka

2002-05-01

In order to develop a tool for designing on the ultrasonic probe and its peripheral devices for tissue-harmonic-imaging systems, a study is carried out to compare the calculation and observation results of nonlinear acoustic fields for a diagnostic ultrasound system. The pulsed ultrasound with a center frequency of 2.5 MHz is emanated from a weakly focusing sector probe with a 6.5 mm aperture radius and a 50 mm focal length into an agar phantom with an attenuation coefficient of about 0.6 dB/cm/MHz or 1.2 dB/cm/MHz. The nonlinear acoustic field is measured using a needle-type hydrophone. The calculation is based on the Khokhlov-Zabolotskaya-Kuznetsov(KZK) equation which is modified so that the frequency dependence of the attenuation coefficient is the same as that in biological tissue. This equation is numerically solved with the implicit backward method employing the iterative method. The measured and calculated amplitude spectra show good agreement with each other.

Basic numerical processing, calculation, and working memory in children with dyscalculia and/or ADHD symptoms.

Science.gov (United States)

Kuhn, Jörg-Tobias; Ise, Elena; Raddatz, Julia; Schwenk, Christin; Dobel, Christian

2016-09-01

Deficits in basic numerical skills, calculation, and working memory have been found in children with developmental dyscalculia (DD) as well as children with attention-deficit/hyperactivity disorder (ADHD). This paper investigates cognitive profiles of children with DD and/or ADHD symptoms (AS) in a double dissociation design to obtain a better understanding of the comorbidity of DD and ADHD. Children with DD-only (N = 33), AS-only (N = 16), comorbid DD+AS (N = 20), and typically developing controls (TD, N = 40) were assessed on measures of basic numerical processing, calculation, working memory, processing speed, and neurocognitive measures of attention. Children with DD (DD, DD+AS) showed deficits in all basic numerical skills, calculation, working memory, and sustained attention. Children with AS (AS, DD+AS) displayed more selective difficulties in dot enumeration, subtraction, verbal working memory, and processing speed. Also, they generally performed more poorly in neurocognitive measures of attention, especially alertness. Children with DD+AS mostly showed an additive combination of the deficits associated with DD-only and A_Sonly, except for subtraction tasks, in which they were less impaired than expected. DD and AS appear to be related to largely distinct patterns of cognitive deficits, which are present in combination in children with DD+AS.

The numerical method of inverse Laplace transform for calculation of overvoltages in power transformers and test results

Directory of Open Access Journals (Sweden)

Mikulović Jovan Č.

2014-01-01

Full Text Available A methodology for calculation of overvoltages in transformer windings, based on a numerical method of inverse Laplace transform, is presented. Mathematical model of transformer windings is described by partial differential equations corresponding to distributed parameters electrical circuits. The procedure of calculating overvoltages is applied to windings having either isolated neutral point, or grounded neutral point, or neutral point grounded through impedance. A comparative analysis of the calculation results obtained by the proposed numerical method and by analytical method of calculation of overvoltages in transformer windings is presented. The results computed by the proposed method and measured voltage distributions, when a voltage surge is applied to a three-phase 30 kVA power transformer, are compared. [Projekat Ministartsva nauke Republike Srbije, br. TR-33037 i br. TR-33020

Numerical calculation of flashing from long pipes using a two-field model

International Nuclear Information System (INIS)

Rivard, W.C.; Torrey, M.D.

1976-05-01

A two-field model for two-phase flows, in which the vapor and liquid phases have different densities, velocities, and temperatures, has been used to calculate the flashing of water from long pipes. The IMF (Implicit Multifield) technique is used to numerically solve the transient equations that govern the dynamics of each phase. The flow physics is described with finite rate phase transitions, interfacial friction, heat transfer, pipe wall friction, and appropriate state equations. The results of the calculations are compared with measured histories of pressure, temperature, and void fraction. A parameter study indicates the relative sensitivity of the results to the various physical models that are used

Numerical calculation of flashing from long pipes using a two-field model

International Nuclear Information System (INIS)

Rivard, W.C.; Torrey, M.D.

1975-11-01

A two-field model for two-phase flows, in which the vapor and liquid phases have different densities, velocities, and temperatures, has been used to calculate the flashing of water from long pipes. The IMF (Implicit Multifield) technique is used to numerically solve the transient equations that govern the dynamics of each phase. The flow physics is described with finite rate phase transitions, interfacial friction, heat transfer, pipe wall friction, and appropriate state equations. The results of the calculations are compared with measured histories of pressure, temperature, and void fraction. A parameter study indicates the relative sensitivity of the results to the various physical models that are used

Time-dependent magnetization of a type-II superconductor numerically calculated by using the flux-creep equation

International Nuclear Information System (INIS)

Lee, J. H.; Park, I. S.; Ahmad, D.; Kim, D.; Kim, Y. C.; Ko, R. K.; Jeong, D. Y.

2012-01-01

The macroscopic magnetic behaviors of a type-II superconductor, such as the field- or the temperature-dependent magnetization, have been described by using critical state models. However, because the models are time-independent, the magnetic relaxation in a type-II superconductor cannot be described by them, and the time dependence of the magnetization can affect the field or the temperature-dependent magnetization curve described by the models. In order to avoid the time independence of critical state models, we try the numerical calculation used by Qin et al., who mainly calculated the temperature dependence of the ac susceptibility χ(T). Their calculation showed that the frequency-dependent χ(T) could be obtained by using the flux-creep equation. We calculated the field-dependent magnetization and magnetic relaxation by using a numerical method. The calculated field-dependent magnetization M(H) curves shows the shapes of a typical type-II superconductor. The calculated magnetic relaxation do not show a logarithmic decay of the magnetization, but the addition of a surface barrier to the relaxation calculation caused a clear logarithmic decay of the magnetization, producing a crossover at a mid-time. This means that the logarithmic magnetic relaxation is caused by not only flux creep but also a combination of flux creep and a surface barrier.

Numerical Calculation of Interaction Between Plane Jet and Subsonic Flow

Directory of Open Access Journals (Sweden)

V. O. Moskalenko

2016-01-01

Full Text Available The paper makes numerical calculation of interaction between plane jet and subsonic flow. Its aim is to determine the jet trajectory, velocity profiles, distribution of pressure coefficient on the plate surface at different jet angles, namely ωj=45°; 90°; 105° and at low blowing strengths ( ≤1.5 as well as a to make comparison with the experimental data of other authors.To simulate a two-dimensional jet in the subsonic flow the software package “CAD SolidWorks Flow Simulation” has been used. Initially, the test task was solved with its calculation results compared with experimental ones [6.8] in order to improve the convergence; the size of the computational domain and a computational grid within the k-ε turbulence model were selected. As a result of the calculation, were identified and analysed the pressure values, jet trajectories, and velocity profiles. In the graphs the solid lines show calculation results, and dots represent experimental data.From the calculation results it is seen that, with increasing intensity of the reduced mass flow ¯q in the above range, the change of the jet pressure coefficient p¯ distribution behind a slotted nozzle is almost linear and significant. Before the nozzle, with increasing ¯q the pressure coefficient increases slightly.Analysis of results has shown that blowing of jets with ωj>90ω, provides a greater perturbation of the subsonic flow. Thus, the jet penetrates into the flow deeper, forms a dead region of the greater length, and more significantly redistributes the pressure coefficient on the surface of the plate.The calculation results are in good compliance with the experimental data both for the jet axis and for the pressure coefficient distribution on the plate surface. The research results can be used in the designing the jet control of aircrafts.

Numerical method for calculation of 3D viscous turbomachine flow taking into account stator/rotor unsteady interaction

Energy Technology Data Exchange (ETDEWEB)

Rusanov, A V; Yershov, S V [Institute of Mechanical Engineering Problems of National Academy of Sciences of Ukraine Kharkov (Ukraine)

1998-12-31

The numerical method is suggested for the calculation of the 3D periodically unsteady viscous cascade flow evoked by the aerodynamics interaction of blade rows. Such flow is described by the thin-layer Reynolds-averaged unsteady Navier-Stokes equations. The turbulent effects are simulated with the modified Baldwin-Lomax turbulence model. The problem statement allows to consider an unsteady flow through either a single turbo-machine stage or a multi stage turbomachine. The sliding mesh techniques and the time-space non-oscillatory square interpolation are used in axial spacings to calculate the flow in a computational domain that contains the reciprocally moving elements. The gasdynamical equations are integrated numerically with the implicit quasi-monotonous Godunov`s type ENO scheme of the second or third order of accuracy. The suggested numerical method is incorporated in the FlowER code developed by authors for calculations of the 3D viscous compressible flows through multi stage turbomachines. The numerical results are presented for unsteady turbine stage throughflows. The method suggested is shown to simulate qualitatively properly the main unsteady cascade effects in particular the periodically blade loadings, the propagation of stator wakes through rotor blade passage and the unsteady temperature flowfields for stages with cooled stator blades. (author) 21 refs.

Numerical method for calculation of 3D viscous turbomachine flow taking into account stator/rotor unsteady interaction

Energy Technology Data Exchange (ETDEWEB)

Rusanov, A.V.; Yershov, S.V. [Institute of Mechanical Engineering Problems of National Academy of Sciences of Ukraine Kharkov (Ukraine)

1997-12-31

The numerical method is suggested for the calculation of the 3D periodically unsteady viscous cascade flow evoked by the aerodynamics interaction of blade rows. Such flow is described by the thin-layer Reynolds-averaged unsteady Navier-Stokes equations. The turbulent effects are simulated with the modified Baldwin-Lomax turbulence model. The problem statement allows to consider an unsteady flow through either a single turbo-machine stage or a multi stage turbomachine. The sliding mesh techniques and the time-space non-oscillatory square interpolation are used in axial spacings to calculate the flow in a computational domain that contains the reciprocally moving elements. The gasdynamical equations are integrated numerically with the implicit quasi-monotonous Godunov`s type ENO scheme of the second or third order of accuracy. The suggested numerical method is incorporated in the FlowER code developed by authors for calculations of the 3D viscous compressible flows through multi stage turbomachines. The numerical results are presented for unsteady turbine stage throughflows. The method suggested is shown to simulate qualitatively properly the main unsteady cascade effects in particular the periodically blade loadings, the propagation of stator wakes through rotor blade passage and the unsteady temperature flowfields for stages with cooled stator blades. (author) 21 refs.

Numerical instability of time-discretized one-point kinetic equations

International Nuclear Information System (INIS)

Hashimoto, Kengo; Ikeda, Hideaki; Takeda, Toshikazu

2000-01-01

The one-point kinetic equations with numerical errors induced by the explicit, implicit and Crank-Nicolson integration methods are derived. The zero-power transfer functions based on the present equations are demonstrated to investigate the numerical stability of the discretized systems. These demonstrations indicate unconditional stability for the implicit and Crank-Nicolson methods but present the possibility of numerical instability for the explicit method. An upper limit of time mesh spacing for the stability is formulated and several numerical calculations are made to confirm the validity of this formula

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

Science.gov (United States)

Jiang, Chao; Qiao, Mingzhong; Zhu, Peng

2017-12-01

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

Calculating qP-wave traveltimes in 2-D TTI media by high-order fast sweeping methods with a numerical quartic equation solver

Science.gov (United States)

Han, Song; Zhang, Wei; Zhang, Jie

2017-09-01

A fast sweeping method (FSM) determines the first arrival traveltimes of seismic waves by sweeping the velocity model in different directions meanwhile applying a local solver. It is an efficient way to numerically solve Hamilton-Jacobi equations for traveltime calculations. In this study, we develop an improved FSM to calculate the first arrival traveltimes of quasi-P (qP) waves in 2-D tilted transversely isotropic (TTI) media. A local solver utilizes the coupled slowness surface of qP and quasi-SV (qSV) waves to form a quartic equation, and solve it numerically to obtain possible traveltimes of qP-wave. The proposed quartic solver utilizes Fermat's principle to limit the range of the possible solution, then uses the bisection procedure to efficiently determine the real roots. With causality enforced during sweepings, our FSM converges fast in a few iterations, and the exact number depending on the complexity of the velocity model. To improve the accuracy, we employ high-order finite difference schemes and derive the second-order formulae. There is no weak anisotropy assumption, and no approximation is made to the complex slowness surface of qP-wave. In comparison to the traveltimes calculated by a horizontal slowness shooting method, the validity and accuracy of our FSM is demonstrated.

Development and Application of a Numerical Framework for Improving Building Foundation Heat Transfer Calculations

Science.gov (United States)

Kruis, Nathanael J. F.

Heat transfer from building foundations varies significantly in all three spatial dimensions and has important dynamic effects at all timescales, from one hour to several years. With the additional consideration of moisture transport, ground freezing, evapotranspiration, and other physical phenomena, the estimation of foundation heat transfer becomes increasingly sophisticated and computationally intensive to the point where accuracy must be compromised for reasonable computation time. The tools currently available to calculate foundation heat transfer are often either too limited in their capabilities to draw meaningful conclusions or too sophisticated to use in common practices. This work presents Kiva, a new foundation heat transfer computational framework. Kiva provides a flexible environment for testing different numerical schemes, initialization methods, spatial and temporal discretizations, and geometric approximations. Comparisons within this framework provide insight into the balance of computation speed and accuracy relative to highly detailed reference solutions. The accuracy and computational performance of six finite difference numerical schemes are verified against established IEA BESTEST test cases for slab-on-grade heat conduction. Of the schemes tested, the Alternating Direction Implicit (ADI) scheme demonstrates the best balance between accuracy, performance, and numerical stability. Kiva features four approaches of initializing soil temperatures for an annual simulation. A new accelerated initialization approach is shown to significantly reduce the required years of presimulation. Methods of approximating three-dimensional heat transfer within a representative two-dimensional context further improve computational performance. A new approximation called the boundary layer adjustment method is shown to improve accuracy over other established methods with a negligible increase in computation time. This method accounts for the reduced heat transfer

OEDIPE: a new graphical user interface for fast construction of numerical phantoms and MCNP calculations.

Science.gov (United States)

Franck, D; de Carlan, L; Pierrat, N; Broggio, D; Lamart, S

2007-01-01

Although great efforts have been made to improve the physical phantoms used to calibrate in vivo measurement systems, these phantoms represent a single average counting geometry and usually contain a uniform distribution of the radionuclide over the tissue substitute. As a matter of fact, significant corrections must be made to phantom-based calibration factors in order to obtain absolute calibration efficiencies applicable to a given individual. The importance of these corrections is particularly crucial when considering in vivo measurements of low energy photons emitted by radionuclides deposited in the lung such as actinides. Thus, it was desirable to develop a method for calibrating in vivo measurement systems that is more sensitive to these types of variability. Previous works have demonstrated the possibility of such a calibration using the Monte Carlo technique. Our research programme extended such investigations to the reconstruction of numerical anthropomorphic phantoms based on personal physiological data obtained by computed tomography. New procedures based on a new graphical user interface (GUI) for development of computational phantoms for Monte Carlo calculations and data analysis are being developed to take advantage of recent progress in image-processing codes. This paper presents the principal features of this new GUI. Results of calculations and comparison with experimental data are also presented and discussed in this work.

Calculation of infrared radiation in the atmosphere by a numerical method

International Nuclear Information System (INIS)

Nunes, G.S.S.; Viswanadham, Y.

1981-01-01

A numerical method is described for the calculations of the atmospheric infrared flux and radiative cooling rate in the atmosphere. It is suitable for use at all levels below lower stratosphere. The square root pressure correction factor is incorporated in the computation of the corrected optical depth. The water vapour flux emissivity data of Staley and Jurica are used in the model. The versatility of the computing scheme sugests that this method is adequate to evaluate infrared flux and flux divergence in the problems involving a large amount of atmospheric data. (Author) [pt

Numerical Calculation for Whirling Motion of a Centrifugal Blood Pump with Conical Spiral Groove Bearings

Science.gov (United States)

Shigemaru, Daichi; Tsukamoto, Hiroshi

2010-06-01

Whirling motion of a pump impeller was calculated for the centrifugal blood pump with Conical Spiral Groove Bearings to get a criterion for the instability of impeller whirling motion. The motion of the centrifugal blood pump impeller was calculated based on a spring damping model, and unsteady flow in the pump was computed using the commercial CFD package ANSYS CFX. Also the whirling motion of rotating impeller was measured using two displacement sensors fixed to the blood pump casing. The numerical calculations were done for the blood pump impeller with conical spiral groove bearings, and impeller whirling motion was evaluated.

Determination of Solution Accuracy of Numerical Schemes as Part of Code and Calculation Verification

Energy Technology Data Exchange (ETDEWEB)

Blottner, F.G.; Lopez, A.R.

1998-10-01

This investigation is concerned with the accuracy of numerical schemes for solving partial differential equations used in science and engineering simulation codes. Richardson extrapolation methods for steady and unsteady problems with structured meshes are presented as part of the verification procedure to determine code and calculation accuracy. The local truncation error de- termination of a numerical difference scheme is shown to be a significant component of the veri- fication procedure as it determines the consistency of the numerical scheme, the order of the numerical scheme, and the restrictions on the mesh variation with a non-uniform mesh. Genera- tion of a series of co-located, refined meshes with the appropriate variation of mesh cell size is in- vestigated and is another important component of the verification procedure. The importance of mesh refinement studies is shown to be more significant than just a procedure to determine solu- tion accuracy. It is suggested that mesh refinement techniques can be developed to determine con- sistency of numerical schemes and to determine if governing equations are well posed. The present investigation provides further insight into the conditions and procedures required to effec- tively use Richardson extrapolation with mesh refinement studies to achieve confidence that sim- ulation codes are producing accurate numerical solutions.

An approach to first principles electronic structure calculation by symbolic-numeric computation

Directory of Open Access Journals (Sweden)

Akihito Kikuchi

2013-04-01

Full Text Available There is a wide variety of electronic structure calculation cooperating with symbolic computation. The main purpose of the latter is to play an auxiliary role (but not without importance to the former. In the field of quantum physics [1-9], researchers sometimes have to handle complicated mathematical expressions, whose derivation seems almost beyond human power. Thus one resorts to the intensive use of computers, namely, symbolic computation [10-16]. Examples of this can be seen in various topics: atomic energy levels, molecular dynamics, molecular energy and spectra, collision and scattering, lattice spin models and so on [16]. How to obtain molecular integrals analytically or how to manipulate complex formulas in many body interactions, is one such problem. In the former, when one uses special atomic basis for a specific purpose, to express the integrals by the combination of already known analytic functions, may sometimes be very difficult. In the latter, one must rearrange a number of creation and annihilation operators in a suitable order and calculate the analytical expectation value. It is usual that a quantitative and massive computation follows a symbolic one; for the convenience of the numerical computation, it is necessary to reduce a complicated analytic expression into a tractable and computable form. This is the main motive for the introduction of the symbolic computation as a forerunner of the numerical one and their collaboration has won considerable successes. The present work should be classified as one such trial. Meanwhile, the use of symbolic computation in the present work is not limited to indirect and auxiliary part to the numerical computation. The present work can be applicable to a direct and quantitative estimation of the electronic structure, skipping conventional computational methods.

Determination of hydrogen cluster velocities and comparison with numerical calculations

International Nuclear Information System (INIS)

Täschner, A.; Köhler, E.; Ortjohann, H.-W.; Khoukaz, A.

2013-01-01

The use of powerful hydrogen cluster jet targets in storage ring experiments led to the need of precise data on the mean cluster velocity as function of the stagnation temperature and pressure for the determination of the volume density of the target beams. For this purpose a large data set of hydrogen cluster velocity distributions and mean velocities was measured at a high density hydrogen cluster jet target using a trumpet shaped nozzle. The measurements have been performed at pressures above and below the critical pressure and for a broad range of temperatures relevant for target operation, e.g., at storage ring experiments. The used experimental method is described which allows for the velocity measurement of single clusters using a time-of-flight technique. Since this method is rather time-consuming and these measurements are typically interfering negatively with storage ring experiments, a method for a precise calculation of these mean velocities was needed. For this, the determined mean cluster velocities are compared with model calculations based on an isentropic one-dimensional van der Waals gas. Based on the obtained data and the presented numerical calculations, a new method has been developed which allows to predict the mean cluster velocities with an accuracy of about 5%. For this two cut-off parameters defining positions inside the nozzle are introduced, which can be determined for a given nozzle by only two velocity measurements

Numerical Calculation of Secondary Flow in Pump Volute and Circular Casings using 3D Viscous Flow Techniques

Directory of Open Access Journals (Sweden)

K. Majidi

2000-01-01

Full Text Available The flow field in volute and circular casings interacting with a centrifugal impeller is obtained by numerical analysis. In the present study, effects of the volute and circular casings on the flow pattern have been investigated by successively combining a volute casing and a circular casing with a single centrifugal impeller. The numerical calculations are carried out with a multiple frame of reference to predict the flow field inside the entire impeller and casings. The impeller flow field is solved in a rotating frame and the flow field in the casings in a stationary frame. The static pressure and velocity in the casing and impeller, and the static pressures and secondary velocity vectors at several cross-sectional planes of the casings are calculated. The calculations show that the curvature of the casings creates pressure gradients that cause vortices at cross-sectional planes of the casings.

Application of optimization numerical methods in calculation of the two-particle nuclear reactions

International Nuclear Information System (INIS)

Titarenko, N.N.

1987-01-01

An optimization packet of PEAK-OPT applied programs intended for solution of problems of absolute minimization of functions of many variables in calculations of cross sections of binary nuclear reactions is described. The main algorithms of computerized numerical solution of systems of nonlinear equations for the least square method are presented. Principles for plotting and functioning the optimization software as well as results of its practical application are given

Numerical simulations in support of the in situ bioremediation demonstration at Savannah River

International Nuclear Information System (INIS)

Travis, B.J.; Rosenberg, N.D.

1994-06-01

This report assesses the performance of the in situ bioremediation technology demonstrated at the Savannah River Integrated Demonstration (SRID) site in 1992--1993. The goal of the technology demonstration was to stimulate naturally occurring methanotrophic bacteria at the SRID site with injection of methane, air and air-phase nutrients (nitrogen and phosphate) such that significant amounts of the chlorinated solvent present in the subsurface would be degraded. Our approach is based on site-specific numerical simulations using the TRAMP computer code. In this report, we discuss the interactions among the physical and biochemical processes involved in in situ bioremediation. We also investigate improvements to technology performance, make predictions regarding the performance of this technology over long periods of time and at different sites, and compare in situ bioremediation with other remediation technologies

Numerical calculation of the Fresnel transform.

Science.gov (United States)

Kelly, Damien P

2014-04-01

In this paper, we address the problem of calculating Fresnel diffraction integrals using a finite number of uniformly spaced samples. General and simple sampling rules of thumb are derived that allow the user to calculate the distribution for any propagation distance. It is shown how these rules can be extended to fast-Fourier-transform-based algorithms to increase calculation efficiency. A comparison with other theoretical approaches is made.

Investigations on sail force by full scale measurement and numerical calculation. Part 1. Steady sailing performance; Sail ryutairyoku ni kansuru jissen shiken to suchi keisan. 1. Teijo hanso seino

Energy Technology Data Exchange (ETDEWEB)

Masuyama, Y.; Fukasawa, T. [Kanazawa Institute of Technology, Ishikawa (Japan); Kitazaki, T. [DMW Corp., Tokyo (Japan)

1997-06-01

Sailing forces are measured with a 10.3m long full-scale sailing boat, equipped with a sail force dynamometer, CCD camera for sail shape measurement and an instrument for detecting sailing conditions of the hull, in order to obtain highly reliable performance data of a sailing yacht. The vortex lattice method is used for step-by-step numerical calculations, and the results are compared with the observed ones. The test results clearly show performance changing with slight changes in relative wind directions and sail shapes, which are not clearly obtained by the traditional wind tunnel tests. The calculated results, although deviating from the observed ones to some extent, well represent trends of performance changing with wind directions and sail shapes. In particular, changed performance caused by slight changes in draft at the main sail is clearly demonstrated. The numerical calculation is considered to be useful for searching for sail trim conditions. 17 refs., 18 figs., 1 tab.

Numerical calculation of spin echo amplitude in pulsed NMR: effects of quadrupole interaction

International Nuclear Information System (INIS)

Sobral, R.R.

1986-01-01

The spin echo obtained by nuclear magnetic resonance, in systems which atomic nuclei interact with magnetic fields and electric field gradients, present oscillations in function of the time interval between two excitations pulses. Using the density matrix formalism, the amplitudes of these echo is calculated, analytically. In this work, echo amplitudes obtained under different excitation conditions for nuclei of different nuclear spin values are calculated. The numerical results are compared with disposable analytical solutions. Applications of this method to the case of electric field gradient without axial symmetry were studied. Within the used approximation limits, an expression for attnuation of oscillatory behaviour of echo amplitude in function of the time interval between experimentally observed pulses was obtained. (M.C.K.) [pt

Theory and numerical calculation of the acoustic field exerted by eddy-current forces

Energy Technology Data Exchange (ETDEWEB)

Kawashima, K.

1976-01-01

The equations for calculating the acoustic field produced within a nonmagnetic metal by interaction of eddy currents with a static magnetic field were obtained on the assumptions (1) an ultrasonic wave is generated by the electromagentic force through classical and macroscopic phenomena; (2) the electric, magnetic, and elastic properties of the metal are linear, isotropic, and homogeneous throughout the metal, which occupies semi-infinite space; (3) the whole system is axially symmetric; and (4) eddy currents and elastic waves show a steady-state sinusoidal variation. The acoustic field produced by a specific electromagnetic ultrasonic transducer with axial symmetry was calculated numerically, and the results showed a well-defined ultrasonic wave beam, which was narrower than had been expected from the size of the transducer. (auth)

T.I.G. Welding of stainless steel. Numerical modelling for temperatures calculation in the Haz

International Nuclear Information System (INIS)

Martinez-Conesa, E. J.; Estrems-Amestoy, M.; Miguel-Eguia, V.; Garrido-Hernandez, A.; Guillen-Martinez, J. A.

2010-01-01

In this work, a numerical method for calculating the temperature field into the heat affected zone for butt welded joints is presented. The method has been developed for sheet welding and takes into account a bidimensional heat flow. It has built a computer program by MS-Excel books and Visual Basic for Applications (VBA). The model has been applied to the TIG process of AISI 304 stainless steel 2mm thickness sheet. The welding process has been considered without input materials. The numerical method may be used to help the designers to predict the temperature distribution in welded joints. (Author) 12 refs.

Local measurement and numerical calculation on turbulent two-phase flow in a vertical pipe with sudden expansion

International Nuclear Information System (INIS)

Kondo, Koichi; Yoshida, Kenji; Okawa, Tomio; Kataoka, Isao

2004-01-01

Experiment and numerical calculation were carried out for upward, turbulent bubbly two-phase flow in a vertical pipe with an axisymmetric sudden expansion, which is one of the typical multi-dimensional channel geometries. The void fraction, the liquid velocity and turbulent intensity along the flow direction below and the above the sudden expansion point were measured for various turbulent flow conditions by using a point-electrode resistivity probe and a hot-film anemometry probe. They showed quite complicated behaviors depending upon flow rates of gas and liquid phases and bubble size. In particular, the geometry of sudden expansion affected on the bubble behaviors in multi-dimensional two-phase flow, such as the bubble-stagnation, the bubble-deformation, the enhancement and suppression effects due to the two-phase turbulence etc. Through the measurements, fundamental parameters of the two-phase flow were clarified for the sudden expansion channel. Moreover, a three-dimensional one-way bubble tracking simulation of a single bubble behavior in turbulent flow field along the downstream of the sudden expansion was also demonstrated where equation of motion of bubble was solved by assuming appropriate constitutive models and turbulence model. Based on the trajectories of large number of bubbles, the void fraction distribution was predicted in this calculation. It concretely revealed that the lift force and the two-phase turbulence model were the most important parameters in determining the multi-dimensional void fraction distribution and the calculation should be considered by using the measured experimental data. (author)

Character of photovoltaic/thermal hybrid collector. Character analysis by numerical calculation; Taiyoko netsu hybrid collector no tokusei. Suchi keisan ni yoru tokusei kaiseki

Energy Technology Data Exchange (ETDEWEB)

Morita, Y; Iwawaki, T; Fujisawa, T; Tani, T [Science University of Tokyo, Tokyo (Japan)

1997-11-25

In order to investigate characteristics of photovoltaic (PV)/thermal hybrid collectors (PV/T{sub s}) operating under varying conditions, energy equilibrium equations have been developed for numerical calculation, and the calculated results were compared with the observed ones. The calculated characteristics are close to the observed ones, both for photoelectric conversion and heat collecting characteristics, demonstrating validity of these energy equations. It is found, by comparing characteristics of PV/T{sub A} (covered with glass) with those of PV/T{sub B} (not covered with glass), that these characteristics are greatly affected by glass cover. Maximum overall excergy levels attained are 13.29% with PV/T{sub A} and 11.48% with PV/T{sub B} under the conditions of solar radiation intensity H: 800W/m{sup 2}, ambient temperature: 20degC and wind velocity: 0.5m/s, where flow rates of heat medium are 2.0times10{sup -3} and 4.0times10{sup -3}kg/s, respectively. Thus, the PV/T{sub A} system has a higher maximum excergy efficiency than the PV/T{sub B} system. The PV/T{sub A} gives water of higher temperature, demonstrating that covering the system with glass increases maximum excergy efficiency and optimum temperature. 6 refs., 5 figs., 2 tabs.

Hybrid reduced order modeling for assembly calculations

Energy Technology Data Exchange (ETDEWEB)

Bang, Y.; Abdel-Khalik, H. S. [North Carolina State University, Raleigh, NC (United States); Jessee, M. A.; Mertyurek, U. [Oak Ridge National Laboratory, Oak Ridge, TN (United States)

2013-07-01

While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system. (authors)

Mesoscale modelling in China: Risø DTU numerical wind atlas calculation for NE China (Dongbei)

DEFF Research Database (Denmark)

Badger, Jake; Larsén, Xiaoli Guo; Hahmann, Andrea N.

of the wind resource for Dongbei south of 50oN. The results of the numerical wind atlas show a wind resource over the region of interest modulated mainly by topographic features. These are principally elevated terrain features, giving high resources on exposed ridges and lower resources adjacent to the low......This document reports on the methods and findings of project “A01 Mesoscale Modelling”, part of the CMA component of the Wind Energy Development (WED) programme, focusing mainly on the methods and work undertaken by Risø DTU. The KAMM/WAsP methodology for numerical wind atlas calculation....... The major new aspects of the project were the large number of KAMM/WAsP sensitivity studies, comparison with WRF, and the CMA’s numerical wind atlas method (WERAS). Additionally, the reliability of the input data for the methodology, and the wave-number spectra properties of the output data were...

A numerical scheme to calculate temperature and salinity dependent air-water transfer velocities for any gas

Science.gov (United States)

Johnson, M. T.

2010-02-01

The transfer velocity determines the rate of exchange of a gas across the air-water interface for a given deviation from Henry's law equilibrium between the two phases. In the thin film model of gas exchange, which is commonly used for calculating gas exchange rates from measured concentrations of trace gases in the atmosphere and ocean/freshwaters, the overall transfer is controlled by diffusion-mediated films on either side of the air-water interface. Calculating the total transfer velocity (i.e. including the influence from both molecular layers) requires the Henry's law constant and the Schmidt number of the gas in question, the latter being the ratio of the viscosity of the medium and the molecular diffusivity of the gas in the medium. All of these properties are both temperature and (on the water side) salinity dependent and extensive calculation is required to estimate these properties where not otherwise available. The aim of this work is to standardize the application of the thin film approach to flux calculation from measured and modelled data, to improve comparability, and to provide a numerical framework into which future parameter improvements can be integrated. A detailed numerical scheme is presented for the calculation of the gas and liquid phase transfer velocities (ka and kw respectively) and the total transfer velocity, K. The scheme requires only basic physical chemistry data for any gas of interest and calculates K over the full range of temperatures, salinities and wind-speeds observed in and over the ocean. Improved relationships for the wind-speed dependence of ka and for the salinity-dependence of the gas solubility (Henry's law) are derived. Comparison with alternative schemes and methods for calculating air-sea flux parameters shows good agreement in general but significant improvements under certain conditions. The scheme is provided as a downloadable program in the supplementary material, along with input files containing molecular

Numerical calculation on infrared characteristics of the special vehicle exhaust system

Science.gov (United States)

Feng, Yun-song; Li, Xiao-xia; Jin, Wei

2017-10-01

For mastery of infrared radiation characteristics and flow field of the special vehicle exhaust system, first, a physical model of the special vehicle exhaust system is established with the Gambit, and the mathematical model of flow field is determined. Secondly, software Fluent6.3 is used to simulated the 3-D exterior flow field of the special vehicle exhaust system, and the datum of flow field, such as temperature, pressure and density, are obtained. Thirdly, based on the plume temperature, the special vehicle exhaust space is divided. The exhaust is equivalent to a gray-body. A calculating model of the vehicle exhaust infrared radiation is established, and the exhaust infrared radiation characteristics are calculated by the software MATLAB, then the spatial distribution curves are drawn. Finally, the numerical results are analyzing, and the basic laws of the special vehicle exhaust infrared radiation are explored. The results show that with the increase of the engine speed, the temperature of the exhaust pipe wall of the special vehicle increases, and the temperature and pressure of the exhaust gas flow field increase, which leads to the enhancement of the infrared radiation intensity

Calculation of the Intensity of electrical field at the end of the loaded path in the solid-state nuclear track detectors by using the numerical calculation of Laplace equations

International Nuclear Information System (INIS)

Kolahdooz, M.; Abotalebi, A.; Sheikh Aleslam, F.

2011-01-01

The goal of this article is calculation of the electric field at the end of loaded path in solid-state track detectors. For the calculation, Laplace-Equation has been solved numerically. By solving the equation, upon considering a specific potential at the boundary of the region, in addition to calculating the electric field at the end of path, the parameters which are affecting the electric field have also been investigated.

Fully developed laminar flow of non-Newtonian liquids through annuli: comparison of numerical calculations with experiments

Energy Technology Data Exchange (ETDEWEB)

Escudier, M.P.; Smith, S. [Department of Engineering, Mechanical Engineering, University of Liverpool, Brownlow Hill, Liverpool L69 3GH (United Kingdom); Oliveira, P.J. [Departamento de Engenharia Electromecanica, Universidade da Beira Interior, Rua Marques D' Avila e Boloma, 6200 Covilha (Portugal); Pinho, F.T. [Centro de Estudos de Fenomenos de Transporte, DEMEGI, Faculdade de Engenharia, Universidade do Porto, Rua Roberto Frias, 4200-465 Porto (Portugal)

2002-07-01

Experimental data are reported for fully developed laminar flow of a shear-thinning liquid through both a concentric and an 80% eccentric annulus with and without centrebody rotation. The working fluid was an aqueous solution of 0.1% xanthan gum and 0.1% carboxymethylcellulose for which the flow curve is well represented by the Cross model. Comparisons are reported between numerical calculations and the flow data, as well as with other laminar annular-flow data for a variety of shear-thinning liquids previously reported in the literature. In general, the calculations are in good quantitative agreement with the experimental data, even in situations where viscoelastic effects, neglected in the calculations, would be expected to play a role. (orig.)

Numerical modeling of slow shocks

International Nuclear Information System (INIS)

Winske, D.

1987-01-01

This paper reviews previous attempt and the present status of efforts to understand the structure of slow shocks by means of time dependent numerical calculations. Studies carried out using MHD or hybrid-kinetic codes have demonstrated qualitative agreement with theory. A number of unresolved issues related to hybrid simulations of the internal shock structure are discussed in some detail. 43 refs., 8 figs

Development and demonstration of calculation tool for industrial drying processes ''DryPack''; Udvikling og demonstration af beregningsvaerktoej til industrielle toerreprocesser ''DryPack''

Energy Technology Data Exchange (ETDEWEB)

Schneider, P.; Weinkauff Kristoffersen, J.; Blazniak Andreasen, M. [Teknologisk Institut, Aarhus (Denmark); Elmegaard, B.; Kaern, M. [Danmarks Tekniske Univ.. DTU Mekanik, Kgs. Lyngby (Denmark); Monrad Andersen, C. [Lokal Energi, Viby J. (Denmark); Grony, K. [SE Big Blue, Kolding (Denmark); Stihoej, A. [Enervision, Kolding (Denmark)

2013-03-15

In this project we have developed a calculation tool for calculating energy consumption in different drying processes - primarily drying processes with air. The program can be used to determine the energy consumption of a current drying process, after which it can be calculated how much energy can be saved by various measures. There is also developed a tool for the simulation of a batch drier, which calculates the drying of a batch depending on the time. The programs have demonstrated their usefulness in connection with three cases that are reviewed in the report. In the project measurements on four different dryers have been carried out, and energy consumption is calculated using ''DryPack''. With ''DryPack'' it is possible to find potential savings by optimizing the drying processes. The program package includes utilities for the calculation of moist air: 1) Calculation of the thermodynamic properties of moist air; 2) Device operation with moist air (mixing, heating, cooling and humidification); 3) Calculation of the relative change of the drying time by changing the process parameters; 4) IX-diagram at a temperature above 100 deg. C. (LN)

Comparison of turbulence models for numerical calculation of airflow in an annex 20 room

DEFF Research Database (Denmark)

Voigt, Lars P. K.

2000-01-01

The report deals with 2-D numerical calculation of room airflow in an isothermal annex 20 room. The report documents the ability of the flow solver EllipSys2D to give results in good agreement with measurements for the specified test case. The flow solver is a finite volume code solving the Reyno.......Applying theory for a two-dimensional wall jet, measurements are compared with calculated values of the turbulent kinetic energy....... the Reynolds Averaged Navier Stokes equations.Five two-equation turbulence models were tested. These are the standard k-epsilon model, the low-Reynolds number k-epison model by Launder & Sharma, the k-omega model by Wilcox, the k-omega baseline (BSL) model by Menter and the k-omega Shear Stress Transport (SST...

Calculation of residual stresses by means of a 3D numerical weld simulation

International Nuclear Information System (INIS)

Nicak, Tomas; Huemmer, Matthias

2008-01-01

The numerical weld simulation has developed very fast in recent years. The problem complexity has increased from simple 2D models to full 3D models, which can describe the entire welding process more realistically. As recent research projects indicate, a quantitative assessment of the residual stresses by means of a 3D analysis is possible. The structure integrity can be assessed based on the weld simulation results superimposed with the operating load. Moreover, to support the qualification of welded components parametric studies for optimization of the residual stress distribution in the weld region can be performed. In this paper a full 3D numerical weld simulation for a man-hole drainage nozzle in a steam generator will be presented. The residual stresses are calculated by means of an uncoupled transient thermal and mechanical FE analysis. The paper will present a robust procedure allowing reasonable predictions of the residual stresses for complex structures in industrial practice. (authors)

Demonstration of a zero-variance based scheme for variance reduction to a mini-core Monte Carlo calculation

Energy Technology Data Exchange (ETDEWEB)

Christoforou, Stavros, E-mail: stavros.christoforou@gmail.com [Kirinthou 17, 34100, Chalkida (Greece); Hoogenboom, J. Eduard, E-mail: j.e.hoogenboom@tudelft.nl [Department of Applied Sciences, Delft University of Technology (Netherlands)

2011-07-01

A zero-variance based scheme is implemented and tested in the MCNP5 Monte Carlo code. The scheme is applied to a mini-core reactor using the adjoint function obtained from a deterministic calculation for biasing the transport kernels. It is demonstrated that the variance of the k{sub eff} estimate is halved compared to a standard criticality calculation. In addition, the biasing does not affect source distribution convergence of the system. However, since the code lacked optimisations for speed, we were not able to demonstrate an appropriate increase in the efficiency of the calculation, because of the higher CPU time cost. (author)

Numerical method and calculation of two-phase swirling flows with rigid particles for technical applications

Directory of Open Access Journals (Sweden)

Akhmetov Vadim

2017-01-01

Full Text Available Swirling flow with particle deposition effects at the lateral surface is numerically investigated. The flow field calculation results have been obtained as the solutions of the Navier-Stokes equations. Various flow regimes with the formation of axial recirculation zones are presented. The convection-diffusion model is used for the determination of the flow particle concentration and the formation of typical sedimentation zones.

Piecewise Polynomial Aggregation as Preprocessing for Data Numerical Modeling

Science.gov (United States)

Dobronets, B. S.; Popova, O. A.

2018-05-01

Data aggregation issues for numerical modeling are reviewed in the present study. The authors discuss data aggregation procedures as preprocessing for subsequent numerical modeling. To calculate the data aggregation, the authors propose using numerical probabilistic analysis (NPA). An important feature of this study is how the authors represent the aggregated data. The study shows that the offered approach to data aggregation can be interpreted as the frequency distribution of a variable. To study its properties, the density function is used. For this purpose, the authors propose using the piecewise polynomial models. A suitable example of such approach is the spline. The authors show that their approach to data aggregation allows reducing the level of data uncertainty and significantly increasing the efficiency of numerical calculations. To demonstrate the degree of the correspondence of the proposed methods to reality, the authors developed a theoretical framework and considered numerical examples devoted to time series aggregation.

A lightweight vibro-acoustic metamaterial demonstrator: Numerical and experimental investigation

Science.gov (United States)

Claeys, C.; Deckers, E.; Pluymers, B.; Desmet, W.

2016-03-01

In recent years metamaterials gained a lot of attention due to their superior noise and vibration insulation properties, be it at least in some targeted and tuneable frequency ranges, referred to as stopbands. These are frequency zones for which free wave propagation is prevented throughout the metamaterial, resulting in frequency zones of pronounced wave attenuation. Metamaterials are achieved due to addition of an, often periodic, grid of resonant structures to a host material or structure. The interaction between resonant inclusions and host structure can lead to a performance which is superior to the ones of any of the constituent materials. A key element in this concept is that waves can be affected by incorporating structural resonant elements of sub-wavelength sizes, i.e. features that are actually smaller than the wavelength of the waves to be affected. This paves the way towards compact and light vibro-acoustic solutions in the lower frequency ranges. This paper discusses the numerical design and experimental validation of acoustic insulation based on the concept of metamaterials: a hollow core periodic sandwich structure with added local resonant structures. In order to investigate the sensitivity to specific parameters in the metamaterial design and the robustness of the design, a set of variations on the nominal design are investigated. The stop bands are numerically predicted through unit cell modelling after which a full vibro-acoustic finite element model is applied to predict the insertion loss of the demonstrator. The results of these analyses are compared with measurements; both indicate that this metamaterials concept can be applied to combine light weight, compact volume and good acoustic behaviour.

Hybrid reduced order modeling for assembly calculations

Energy Technology Data Exchange (ETDEWEB)

Bang, Youngsuk, E-mail: ysbang00@fnctech.com [FNC Technology, Co. Ltd., Yongin-si (Korea, Republic of); Abdel-Khalik, Hany S., E-mail: abdelkhalik@purdue.edu [Purdue University, West Lafayette, IN (United States); Jessee, Matthew A., E-mail: jesseema@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Mertyurek, Ugur, E-mail: mertyurek@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States)

2015-12-15

Highlights: • Reducing computational cost in engineering calculations. • Reduced order modeling algorithm for multi-physics problem like assembly calculation. • Non-intrusive algorithm with random sampling. • Pattern recognition in the components with high sensitive and large variation. - Abstract: While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.

Hybrid reduced order modeling for assembly calculations

International Nuclear Information System (INIS)

Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; Mertyurek, Ugur

2015-01-01

Highlights: • Reducing computational cost in engineering calculations. • Reduced order modeling algorithm for multi-physics problem like assembly calculation. • Non-intrusive algorithm with random sampling. • Pattern recognition in the components with high sensitive and large variation. - Abstract: While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.

Demonstration of a zero-variance based scheme for variance reduction to a mini-core Monte Carlo calculation

International Nuclear Information System (INIS)

Christoforou, Stavros; Hoogenboom, J. Eduard

2011-01-01

A zero-variance based scheme is implemented and tested in the MCNP5 Monte Carlo code. The scheme is applied to a mini-core reactor using the adjoint function obtained from a deterministic calculation for biasing the transport kernels. It is demonstrated that the variance of the k_e_f_f estimate is halved compared to a standard criticality calculation. In addition, the biasing does not affect source distribution convergence of the system. However, since the code lacked optimisations for speed, we were not able to demonstrate an appropriate increase in the efficiency of the calculation, because of the higher CPU time cost. (author)

Numerical Calculation of Coherent Synchrotron Radiation Effects Using TraFiC4

International Nuclear Information System (INIS)

Kabel, Andreas C.

2000-01-01

Coherent synchrotron radiation (CSR) occurs when short bunches travel on strongly bent trajectories. Its effects on high-quality beams can be severe and are well understood qualitatively. For quantitative results, however, one has to rely on numerical methods. There exist several simulation codes utilizing different approaches. The authors describe in some detail the code TraFiC 4 developed at DESY for design and analysis purposes, which approaches the problem from first principles and solves the equations of motion either perturbatively or self-consistently. They present some calculational results and comparison with experimental data. Also, they give examples of how the code can be used to design beamlines with minimal emittance growth due to CSR

Numerical calculation of unsteady turbulent heat transfer in a circular tube considering for heat dissipation in a wale

International Nuclear Information System (INIS)

Groshev, A.I.; Slobodchuk, V.I.

1986-01-01

The results of numerical calculation of the conjugated problem of convective heat transfer under unsteady conditions are presented. The equations describing heat transfer take into account longitudinal heat diffusion in liquid and in a wall. The formulae for calculating local heat flows at the wall-liquid surface in the case of an arbitrary law of temperature variation at the outer wall surface along the channel length are proposed for steady-state heat transfer conditions

Multi-instantons and exact results II: specific cases, higher-order effects, and numerical calculations

International Nuclear Information System (INIS)

Zinn-Justin, Jean; Jentschura, Ulrich D.

2004-01-01

In this second part of the treatment of instantons in quantum mechanics, the focus is on specific calculations related to a number of quantum mechanical potentials with degenerate minima. We calculate the leading multi-instanton contributions to the partition function, using the formalism introduced in the first part of the treatise [Ann. Phys. (N. Y.) (previous issue) (2004)]. The following potentials are considered: (i) asymmetric potentials with degenerate minima, (ii) the periodic cosine potential, (iii) anharmonic oscillators with radial symmetry, and (iv) a specific potential which bears an analogy with the Fokker-Planck equation. The latter potential has the peculiar property that the perturbation series for the ground-state energy vanishes to all orders and is thus formally convergent (the ground-state energy, however, is non-zero and positive). For the potentials (ii), (iii), and (iv), we calculate the perturbative B-function as well as the instanton A-function to fourth order in g. We also consider the double-well potential in detail, and present some higher-order analytic as well as numerical calculations to verify explicitly the related conjectures up to the order of three instantons. Strategies analogous to those outlined here could result in new conjectures for problems where our present understanding is more limited

A TURBO-GENERATOR DESIGN SYNTHESIS BASED ON THE NUMERICAL-FIELD CALCULATIONS AT VARYING THE NUMBER OF STATOR SLOTS

Directory of Open Access Journals (Sweden)

V. I. Milykh

2016-12-01

Full Text Available Purpose. The work is dedicated to the presentation of the principle of construction and implementation of an automated synthesis system of the turbo-generator (TG electromagnetic system in the case of its modernization. This is done on the example of changing the number of the stator core slots. Methodology. The basis of the synthesis is a TG basic construction. Its structure includes the mathematical and physical-geometrical models, as well as the calculation model for the FEMM software environment, providing the numerical calculations of the magnetic fields and electromagnetic parameters of TG. The mathematical model links the changing and basic dimensions and parameters of the electromagnetic system, provided that the TG power parameters are ensured. The physical-geometrical model is the geometric mapping of the electromagnetic system with the specified physical properties of its elements. This model converts the TG electromagnetic system in a calculation model for the FEMM program. Results. Testing of the created synthesis system is carried out on the example of the 340 MW TG. The geometric, electromagnetic and power parameters of its basic construction and its new variants at the different numbers of the stator slots are compared. The harmonic analysis of the temporal function of the stator winding EMF is also made for the variants being compared. Originality. The mathematical model, relating the new and base parameters of TG at the changing of the number of the stator slots is created. A Lua script, providing the numerical-field calculations of the TG electromagnetic parameters in the FEMM software environment is worked out. Construction of the constructive and calculation models, the numerical-field calculations and delivery of results are performed by a computer automatically, that ensures high efficiency of the TG design process. Practical value. The considered version of the TG modernization on the example of changing the number of the

Comparison of different approaches to the numerical calculation of the LMJ focal

Directory of Open Access Journals (Sweden)

Bourgeade A.

2013-11-01

Full Text Available The beam smoothing in the focal plane of high power lasers is of particular importance to laser-plasma interaction studies in order to minimize plasma parametric and hydrodynamic instabilities on the target. Here we investigate the focal spot structure in different geometrical configurations where standard paraxial hypotheses are no longer verified. We present numerical studies in the cases of single flat top square beam, LMJ quadruplet and complete ring of quads with large azimuth angle. Different calculations are made with Fresnel diffraction propagation model in the paraxial approximation and full vector Maxwell's equations. The first model is based on Fourier transform from near to far field method. The second model uses first spherical wave decomposition in plane waves with Fourier transform and propagates them to the focal spot. These two different approaches are compared with Miró [1] modeling results using paraxial or Feit and Fleck options. The methods presented here are generic for focal spot calculations. They can be used for other complex geometric configurations and various smoothing techniques. The results will be used as boundary conditions in plasma interaction computations.

Numerical Exact Ab Initio Four-Nucleon Scattering Calculations: from Dream to Reality

Science.gov (United States)

Fonseca, A. C.; Deltuva, A.

2017-03-01

In the present manuscript we review the work of the last ten years on the pursuit to obtain numerical exact solutions of the four-nucleon scattering problem using the most advanced force models that fit two nucleon data up to pion production threshold with a χ ^2 per data point approximately one, together with the Coulomb interaction between protons; three- and four-nucleon forces are also included in the framework of a meson exchange potential model where NN couples to NΔ. Failure to describe the world data on four-nucleon scattering observables in the framework of a non relativistic scattering approach falls necessarily on the force models one uses. Four-nucleon observables pose very clear challenges, particular in the low energy region where there are a number of resonances whose position and width needs to be dynamically generated by the nucleon-nucleon (NN) interactions one uses. In addition, our calculations constitute the most advance piece of work where observables for all four-nucleon reactions involving isospin I=0, I=0 coupled to I=1 and isospin I=1 initial states are calculated at energies both below and above breakup threshold. We also present a very extensive comparison between calculated results and data for cross sections and spin observables. Therefore the present work reveals both the shortcomings and successes of some of the present NN force models in describing four-nucleon data and serve as a benchmark for future developments.

Numerical calculation of elastohydrodynamic lubrication methods and programs

CERN Document Server

Huang, Ping

2015-01-01

The book not only offers scientists and engineers a clear inter-disciplinary introduction and orientation to all major EHL problems and their solutions but, most importantly, it also provides numerical programs on specific application in engineering. A one-stop reference providing equations and their solutions to all major elastohydrodynamic lubrication (EHL) problems, plus numerical programs on specific applications in engineering offers engineers and scientists a clear inter-disciplinary introduction and a concise program for practical engineering applications to most important EHL problems

40 CFR 63.5885 - How do I calculate percent reduction to demonstrate compliance for continuous lamination/casting...

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 12 2010-07-01 2010-07-01 true How do I calculate percent reduction to... Pollutants: Reinforced Plastic Composites Production Testing and Initial Compliance Requirements § 63.5885 How do I calculate percent reduction to demonstrate compliance for continuous lamination/casting...

A quasi-stationary numerical model of atomized metal droplets, II: Prediction and assessment

DEFF Research Database (Denmark)

Pryds, Nini H.; Hattel, Jesper Henri; Thorborg, Jesper

1999-01-01

been illustrated.A comparison between the numerical model and the experimental results shows an excellent agreement and demonstrates the validity of the present model, e.g. the calculated gas temperature which has an important influence on the droplet solidification behaviour as well as the calculated......A new model which extends previous studies and includes the interaction between enveloping gas and an array of droplets has been developed and presented in a previous paper. The model incorporates the probability density function of atomized metallic droplets into the heat transfer equations....... The main thrust of the model is that the gas temperature was not predetermined and calculated empirically but calculated numerically based on heat balance consideration. In this paper, the accuracy of the numerical model and the applicability of the model as a predictive tool have been investigated...

Numerical Nuclear Second Derivatives on a Computing Grid: Enabling and Accelerating Frequency Calculations on Complex Molecular Systems.

Science.gov (United States)

Yang, Tzuhsiung; Berry, John F

2018-06-04

The computation of nuclear second derivatives of energy, or the nuclear Hessian, is an essential routine in quantum chemical investigations of ground and transition states, thermodynamic calculations, and molecular vibrations. Analytic nuclear Hessian computations require the resolution of costly coupled-perturbed self-consistent field (CP-SCF) equations, while numerical differentiation of analytic first derivatives has an unfavorable 6 N ( N = number of atoms) prefactor. Herein, we present a new method in which grid computing is used to accelerate and/or enable the evaluation of the nuclear Hessian via numerical differentiation: NUMFREQ@Grid. Nuclear Hessians were successfully evaluated by NUMFREQ@Grid at the DFT level as well as using RIJCOSX-ZORA-MP2 or RIJCOSX-ZORA-B2PLYP for a set of linear polyacenes with systematically increasing size. For the larger members of this group, NUMFREQ@Grid was found to outperform the wall clock time of analytic Hessian evaluation; at the MP2 or B2LYP levels, these Hessians cannot even be evaluated analytically. We also evaluated a 156-atom catalytically relevant open-shell transition metal complex and found that NUMFREQ@Grid is faster (7.7 times shorter wall clock time) and less demanding (4.4 times less memory requirement) than an analytic Hessian. Capitalizing on the capabilities of parallel grid computing, NUMFREQ@Grid can outperform analytic methods in terms of wall time, memory requirements, and treatable system size. The NUMFREQ@Grid method presented herein demonstrates how grid computing can be used to facilitate embarrassingly parallel computational procedures and is a pioneer for future implementations.

Stabilizing canonical-ensemble calculations in the auxiliary-field Monte Carlo method

Science.gov (United States)

Gilbreth, C. N.; Alhassid, Y.

2015-03-01

Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the auxiliary-field Monte Carlo (AFMC) method, low-temperature or large-model-space calculations require numerically stabilized matrix multiplication. When adapting methods used in the grand-canonical ensemble to the canonical ensemble of fixed particle number, the numerical stabilization increases the number of required floating-point operations for computing observables by a factor of the size of the single-particle model space, and thus can greatly limit the systems that can be studied. We describe an improved method for stabilizing canonical-ensemble calculations in AFMC that exhibits better scaling, and present numerical tests that demonstrate the accuracy and improved performance of the method.

Numerical weld modeling - a method for calculating weld-induced residual stresses

International Nuclear Information System (INIS)

Fricke, S.; Keim, E.; Schmidt, J.

2001-01-01

In the past, weld-induced residual stresses caused damage to numerous (power) plant parts, components and systems (Erve, M., Wesseling, U., Kilian, R., Hardt, R., Bruemmer, G., Maier, V., Ilg, U., 1994. Cracking in Stabilized Austenitic Stainless Steel Piping of German Boiling Water Reactors - Characteristic Features and Root Causes. 20. MPA-Seminar 1994, vol. 2, paper 29, pp.29.1-29.21). In the case of BWR nuclear power plants, this damage can be caused by the mechanism of intergranular stress corrosion cracking in austenitic piping or the core shroud in the reactor pressure vessel and is triggered chiefly by weld-induced residual stresses. One solution of this problem that has been used in the past involves experimental measurements of residual stresses in conjunction with weld optimization testing. However, the experimental analysis of all relevant parameters is an extremely tedious process. Numerical simulation using the finite element method (FEM) not only supplements this method but, in view of modern computer capacities, is also an equally valid alternative in its own right. This paper will demonstrate that the technique developed for numerical simulation of the welding process has not only been properly verified and validated on austenitic pipe welds, but that it also permits making selective statements on improvements to the welding process. For instance, numerical simulation can provide information on the starting point of welding for every weld bead, the effect of interpass cooling as far as a possible sensitization of the heat affected zone (HAZ) is concerned, the effect of gap width on the resultant weld residual stresses, or the effect of the 'last pass heat sink welding' (welding of the final passes while simultaneously cooling the inner surface with water) producing compressive stresses in the root area of a circumferential weld in an austenitic pipe. The computer program FERESA (finite element residual stress analysis) was based on a commercially

How to integrate divergent integrals: a pure numerical approach to complex loop calculations

International Nuclear Information System (INIS)

Caravaglios, F.

2000-01-01

Loop calculations involve the evaluation of divergent integrals. Usually [G. 't Hooft, M. Veltman, Nucl. Phys. B 44 (1972) 189] one computes them in a number of dimensions different than four where the integral is convergent and then one performs the analytical continuation and considers the Laurent expansion in powers of ε=n-4. In this paper we discuss a method to extract directly all coefficients of this expansion by means of concrete and well defined integrals in a five-dimensional space. We by-pass the formal and symbolic procedure of analytic continuation; instead we can numerically compute the integrals to extract directly both the coefficient of the pole 1/ε and the finite part

Probability density of tunneled carrier states near heterojunctions calculated numerically by the scattering method.

Energy Technology Data Exchange (ETDEWEB)

Wampler, William R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Myers, Samuel M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Modine, Normand A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-09-01

The energy-dependent probability density of tunneled carrier states for arbitrarily specified longitudinal potential-energy profiles in planar bipolar devices is numerically computed using the scattering method. Results agree accurately with a previous treatment based on solution of the localized eigenvalue problem, where computation times are much greater. These developments enable quantitative treatment of tunneling-assisted recombination in irradiated heterojunction bipolar transistors, where band offsets may enhance the tunneling effect by orders of magnitude. The calculations also reveal the density of non-tunneled carrier states in spatially varying potentials, and thereby test the common approximation of uniform- bulk values for such densities.

Applications of Laplace transform methods to airfoil motion and stability calculations

Science.gov (United States)

Edwards, J. W.

1979-01-01

This paper reviews the development of generalized unsteady aerodynamic theory and presents a derivation of the generalized Possio integral equation. Numerical calculations resolve questions concerning subsonic indicial lift functions and demonstrate the generation of Kutta waves at high values of reduced frequency, subsonic Mach number, or both. The use of rational function approximations of unsteady aerodynamic loads in aeroelastic stability calculations is reviewed, and a reformulation of the matrix Pade approximation technique is given. Numerical examples of flutter boundary calculations for a wing which is to be flight tested are given. Finally, a simplified aerodynamic model of transonic flow is used to study the stability of an airfoil exposed to supersonic and subsonic flow regions.

Numerical Calculation of Transport Based on the Drift Kinetic Equation for plasmas in General Toroidal Magnetic Geometry

International Nuclear Information System (INIS)

Reynolds, J. M.; Lopez-Bruna, D.

2009-01-01

This report is the first of a series dedicated to the numerical calculation of the evolution of fusion plasmas in general toroidal geometry, including TJ-II plasmas. A kinetic treatment has been chosen: the evolution equation of the distribution function of one or several plasma species is solved in guiding center coordinates. The distribution function is written as a Maxwellian one modulated by polynomial series in the kinetic coordinates with no other approximations than those of the guiding center itself and the computation capabilities. The code allows also for the inclusion of the three-dimensional electrostatic potential in a self-consistent manner, but the initial objective has been set to solving only the neoclassical transport. A high order conservative method (Spectral Difference Method) has been chosen in order to discretized the equation for its numerical solution. In this first report, in addition to justifying the work, the evolution equation and its approximations are described, as well as the baseline of the numerical procedures. (Author) 28 refs

Cognitive Reflection Versus Calculation in Decision Making

Directory of Open Access Journals (Sweden)

Aleksandr eSinayev

2015-05-01

Full Text Available Scores on the three-item Cognitive Reflection Test (CRT have been linked with dual-system theory and normative decision making (Frederick, 2005. In particular, the CRT is thought to measure monitoring of System 1 intuitions such that, if cognitive reflection is high enough, intuitive errors will be detected and the problem will be solved. However, CRT items also require numeric ability to be answered correctly and it is unclear how much numeric ability vs. cognitive reflection contributes to better decision making. In two studies, CRT responses were used to calculate Cognitive Reflection and numeric ability; a numeracy scale was also administered. Numeric ability, measured on the CRT or the numeracy scale, accounted for the CRT’s ability to predict more normative decisions (a subscale of decision-making competence, incentivized measures of impatient and risk-averse choice, and self-reported financial outcomes; Cognitive Reflection contributed no independent predictive power. Results were similar whether the two abilities were modeled (Study 1 or calculated using proportions (Studies 1 and 2. These findings demonstrate numeric ability as a robust predictor of superior decision making across multiple tasks and outcomes. They also indicate that correlations of decision performance with the CRT are insufficient evidence to implicate overriding intuitions in the decision-making biases and outcomes we examined. Numeric ability appears to be the key mechanism instead.

Cognitive reflection vs. calculation in decision making.

Science.gov (United States)

Sinayev, Aleksandr; Peters, Ellen

2015-01-01

Scores on the three-item Cognitive Reflection Test (CRT) have been linked with dual-system theory and normative decision making (Frederick, 2005). In particular, the CRT is thought to measure monitoring of System 1 intuitions such that, if cognitive reflection is high enough, intuitive errors will be detected and the problem will be solved. However, CRT items also require numeric ability to be answered correctly and it is unclear how much numeric ability vs. cognitive reflection contributes to better decision making. In two studies, CRT responses were used to calculate Cognitive Reflection and numeric ability; a numeracy scale was also administered. Numeric ability, measured on the CRT or the numeracy scale, accounted for the CRT's ability to predict more normative decisions (a subscale of decision-making competence, incentivized measures of impatient and risk-averse choice, and self-reported financial outcomes); Cognitive Reflection contributed no independent predictive power. Results were similar whether the two abilities were modeled (Study 1) or calculated using proportions (Studies 1 and 2). These findings demonstrate numeric ability as a robust predictor of superior decision making across multiple tasks and outcomes. They also indicate that correlations of decision performance with the CRT are insufficient evidence to implicate overriding intuitions in the decision-making biases and outcomes we examined. Numeric ability appears to be the key mechanism instead.

Hybrid method for determining the parameters of condenser microphones from measured membrane velocities and numerical calculations

DEFF Research Database (Denmark)

Barrera Figueroa, Salvador; Rasmussen, Knud; Jacobsen, Finn

2009-01-01

to this problem is to measure the velocity distribution of the membrane by means of a non-contact method, such as laser vibrometry. The measured velocity distribution can be used together with a numerical formulation such as the boundary element method for estimating the microphone response and other parameters......, e.g., the acoustic center. In this work, such a hybrid method is presented and examined. The velocity distributions of a number of condenser microphones have been determined using a laser vibrometer, and these measured velocity distributions have been used for estimating microphone responses......Typically, numerical calculations of the pressure, free-field, and random-incidence response of a condenser microphone are carried out on the basis of an assumed displacement distribution of the diaphragm of the microphone; the conventional assumption is that the displacement follows a Bessel...

Calculation of temperature rise for cable conductor of DCS cabinet power based on theory of numerical thermal transfer

International Nuclear Information System (INIS)

Tian Yong; Zhang Longqiang; Yang Zhen; Yu Bin

2014-01-01

In order to ensure a long-term reliable operation of the DCS cabinet's 220 V AC power cable, it was needed to confirm whether the conductor temperature rise of power cable meet the requirement of the cable specification. Based on the actual data in site and the theory of numerical heat transfer, conservative model was established, and the conductor temperature was calculated. The calculation results show that the cable arrangement on the cable tray will not lead to the conductor temperature rise of power cable over than the required temperature in technical specification. (authors)

Analysis of the two-fluid model and the drift-flux model for numerical calculation of two-phase flow

Energy Technology Data Exchange (ETDEWEB)

Munkejord, Svend Tollak

2006-05-11

This thesis analyses models for two-phase flows and methods for the numerical resolution of these models. It is therefore one contribution to the development of reliable design tools for multiphase applications. Such tools are needed and expected by engineers in a range of fields, including in the oil and gas industry. The approximate Riemann solver of Roe has been studied. Roe schemes for three different two-phase flow models have been implemented in the framework of a standard numerical algorithm for the solution of hyperbolic conservation laws. The schemes have been analysed by calculation of benchmark tests from the literature, and by comparison with each other. A Roe scheme for the four-equation one-pressure two-fluid model has been implemented, and a second-order extension based on wave decomposition and flux-difference splitting was shown to work well and to give improved results compared to the first-order scheme. The convergence properties of the scheme were tested on smooth and discontinuous solutions. A Roe scheme has been proposed for a five-equation two-pressure two-fluid model with pressure relaxation. The use of analogous numerical methods for the five-equation and four-equation models allowed for a direct comparison of a method with and without pressure relaxation. Numerical experiments demonstrated that the two approaches converged to the same results, but that the five-equation pressure-relaxation method was significantly more dissipative, particularly for contact discontinuities. Furthermore, even though the five-equation model with instantaneous pressure relaxation has real eigenvalues, the calculations showed that it produced oscillations for cases where the four-equation model had complex eigenvalues. A Roe scheme has been constructed for the drift-flux model with general closure laws. For the case of the Zuber-Findlay slip law describing bubbly flows, the Roe matrix is completely analytical. Hence the present Roe scheme is more efficient than

Development of numerical methods to calculate the propagation and the absorption of the hybrid wave in tokamaks

International Nuclear Information System (INIS)

Sebelin, E.

1997-01-01

Full-wave calculations based on trial functions are carried out for solving the lower hybrid current drive problem in tokamaks. A variational method is developed and provides an efficient system to describe in a global manner both the propagation and the absorption of the electromagnetic waves in plasmas. The calculation is fully carried out in the case of circular and concentric flux surfaces. The existence and uniqueness of the solution of the wave propagation equation is mathematically proved. The first realistic simulations are performed for the high aspect ratio tokamak TRIAM-1M. It is checked that the main features of the lower-hybrid wave dynamics are well described numerically. (A.C.)

Calculations of the electromechanical transfer processes using implicit methods of numerical integration

Energy Technology Data Exchange (ETDEWEB)

Pogosyan, T A

1983-01-01

The article is dedicated to the solution of systems of differential equations which describe the transfer processes in an electric power system (EES) by implicit methods of numerical integration. The distinguishing feature of the implicit methods (Euler's reverse method and the trapeze method) is their absolute stability and, consequently, the relatively small accumulation of errors in each step of integration. Therefore, they are found to be very convenient for solving problems of electric power engineering, when the transfer processes are described by a rigid system of differential equations. The rigidity is associated with the range of values of the time constants considered. The advantage of the implicit methods over explicit are shown in a specific example (calculation of the dynamic stability of the simplest electric power system), along with the field of use of the implicit methods and the expedience of their use in power engineering problems.

Using Angle calculations to demonstrate vowel shifts

DEFF Research Database (Denmark)

Fabricius, Anne

2008-01-01

This paper gives an overview of the long-term trends of diachronic changes evident within the short vowel system of RP during the 20th century. more specifically, it focusses on changing juxtapositions of the TRAP, STRUT and LOT, FOOT vowel centroid positions. The paper uses geometric calculation...

Numerical method for two-phase flow discontinuity propagation calculation

International Nuclear Information System (INIS)

Toumi, I.; Raymond, P.

1989-01-01

In this paper, we present a class of numerical shock-capturing schemes for hyperbolic systems of conservation laws modelling two-phase flow. First, we solve the Riemann problem for a two-phase flow with unequal velocities. Then, we construct two approximate Riemann solvers: an one intermediate-state Riemann solver and a generalized Roe's approximate Riemann solver. We give some numerical results for one-dimensional shock-tube problems and for a standard two-phase flow heat addition problem involving two-phase flow instabilities

Numerical renormalization group calculation of impurity internal energy and specific heat of quantum impurity models

Science.gov (United States)

Merker, L.; Costi, T. A.

2012-08-01

We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp to be calculated accurately from local static correlation functions; specifically via Cimp=(∂Eionic)/(∂T)+(1)/(2)(∂Ehyb)/(∂T), where Eionic and Ehyb are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.

Numerical calculation of backfilling of scour holes

DEFF Research Database (Denmark)

Sumer, B. Mutlu; Baykal, Cüneyt; Fuhrman, David R.

2014-01-01

A fully-coupled hydrodynamic and morphologic CFD model is presented for simulating backfilling processes around structures. The hydrodynamic model is based on Reynolds-averaged Navier-Stokes equations, coupled with two-equation k-ω turbulence closure. The sediment transport model consists of sepa...... of structures: piles, and pipelines. Initial scour holes are generated by the same model. The numerical results appear to be in accord with the existing experimental information....

A numerical scheme to calculate temperature and salinity dependent air-water transfer velocities for any gas

Directory of Open Access Journals (Sweden)

M. T. Johnson

2010-10-01

Full Text Available The ocean-atmosphere flux of a gas can be calculated from its measured or estimated concentration gradient across the air-sea interface and the transfer velocity (a term representing the conductivity of the layers either side of the interface with respect to the gas of interest. Traditionally the transfer velocity has been estimated from empirical relationships with wind speed, and then scaled by the Schmidt number of the gas being transferred. Complex, physically based models of transfer velocity (based on more physical forcings than wind speed alone, such as the NOAA COARE algorithm, have more recently been applied to well-studied gases such as carbon dioxide and DMS (although many studies still use the simpler approach for these gases, but there is a lack of validation of such schemes for other, more poorly studied gases. The aim of this paper is to provide a flexible numerical scheme which will allow the estimation of transfer velocity for any gas as a function of wind speed, temperature and salinity, given data on the solubility and liquid molar volume of the particular gas. New and existing parameterizations (including a novel empirical parameterization of the salinity-dependence of Henry's law solubility are brought together into a scheme implemented as a modular, extensible program in the R computing environment which is available in the supplementary online material accompanying this paper; along with input files containing solubility and structural data for ~90 gases of general interest, enabling the calculation of their total transfer velocities and component parameters. Comparison of the scheme presented here with alternative schemes and methods for calculating air-sea flux parameters shows good agreement in general. It is intended that the various components of this numerical scheme should be applied only in the absence of experimental data providing robust values for parameters for a particular gas of interest.

A numerical scheme to calculate temperature and salinity dependent air-water transfer velocities for any gas

Science.gov (United States)

Johnson, M. T.

2010-10-01

The ocean-atmosphere flux of a gas can be calculated from its measured or estimated concentration gradient across the air-sea interface and the transfer velocity (a term representing the conductivity of the layers either side of the interface with respect to the gas of interest). Traditionally the transfer velocity has been estimated from empirical relationships with wind speed, and then scaled by the Schmidt number of the gas being transferred. Complex, physically based models of transfer velocity (based on more physical forcings than wind speed alone), such as the NOAA COARE algorithm, have more recently been applied to well-studied gases such as carbon dioxide and DMS (although many studies still use the simpler approach for these gases), but there is a lack of validation of such schemes for other, more poorly studied gases. The aim of this paper is to provide a flexible numerical scheme which will allow the estimation of transfer velocity for any gas as a function of wind speed, temperature and salinity, given data on the solubility and liquid molar volume of the particular gas. New and existing parameterizations (including a novel empirical parameterization of the salinity-dependence of Henry's law solubility) are brought together into a scheme implemented as a modular, extensible program in the R computing environment which is available in the supplementary online material accompanying this paper; along with input files containing solubility and structural data for ~90 gases of general interest, enabling the calculation of their total transfer velocities and component parameters. Comparison of the scheme presented here with alternative schemes and methods for calculating air-sea flux parameters shows good agreement in general. It is intended that the various components of this numerical scheme should be applied only in the absence of experimental data providing robust values for parameters for a particular gas of interest.

Numerical calculation of particle collection efficiency in an ...

Indian Academy of Sciences (India)

Theoretical and numerical research has been previously done on ESPs to predict the efficiency ... Lagrangian simulations of particle transport in wire–plate ESP were .... The collection efficiency can be defined as the ratio of the number of ...

Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions

International Nuclear Information System (INIS)

Havu, V.; Blum, V.; Havu, P.; Scheffler, M.

2009-01-01

We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.

Analytic and numerical calculations of quantum synchrotron spectra from relativistic electron distributions

International Nuclear Information System (INIS)

Brainerd, J.J.; Petrosian, V.

1987-01-01

Calculations are performed numerically and analytically of synchrotron spectra for thermal and power-law electron distributions using the single-particle synchrotron power spectrum derived from quantum electrodynamics. It is found that the photon energy at which quantum effects appear is proportional to temperature and independent of field strength for thermal spectra; quantum effects introduce an exponential roll-off away from the classical spectra. For power law spectra, the photon energy at which quantum effects appear is inversely proportional to the magnetic field strength; quantum effects produce a steeper power law than is found classically. The results are compared with spectra derived from the classical power spectrum with an energy cutoff ensuring conservation of energy. It is found that an energy cutoff is generally an inadequate approximation of quantum effects for low photon energies and for thermal spectra, but gives reasonable results for high-energy emission from power-law electron distributions. 17 references

Numerical calculation of electromagnetic properties including chirality parameters for uniaxial bianisotropic media

International Nuclear Information System (INIS)

Amirkhizi, Alireza V; Nemat-Nasser, Sia

2008-01-01

Through the use of conductive straight wires or coils the electromagnetic properties of a composite material can be modified. The asymmetric geometry of the coils creates an overall chiral response. The polarization vectors rotate as an electromagnetic wave travels through such a medium. To calculate the chirality of a medium prior to its manufacturing, we developed a method to extract all four electromagnetic material parameter tensors for a general uniaxial bianisotropic composite based on the numerical simulation of the electromagnetic fields. Our method uses appropriate line and surface field averages in a single unit cell of the periodic structure of the composite material. These overall field quantities have physical meaning only when the microscopic variation of the electromagnetic fields in the scale of the unit cell is not important, that is when the wavelength of interest is significantly larger than the maximum linear dimension of the unit cell. The overall constitutive relations of the periodic structure can then be obtained from the relations among the average quantities

Numerical solution of electrostatic problems of the accelerator project VICKSI

International Nuclear Information System (INIS)

Janetzki, U.

1975-03-01

In this work, the numerical solution to a few of the electrostatic problems is dealt with which have occured within the framework of the heavy ion accelerator project VICKSI. By means of these selected examples, the versatile applicability of the numerical method is to be demonstrated, and simultaneously assistance is given for the solution of similar problems. The numerical process for solving ion-optics problems consists generally of two steps. In the first step, the potential distribution for a given boundary value problem is iteratively calculated for the Laplace equation, and then the image characteristics of the electostatic lense are investigated using the Raytrace method. (orig./LH) [de

Application of numerical method in calculating the internal rate of return of joint venture investment using diminishing musyarakah model

Science.gov (United States)

Ruslan, Siti Zaharah Mohd; Jaffar, Maheran Mohd

2017-05-01

Islamic banking in Malaysia offers variety of products based on Islamic principles. One of the concepts is a diminishing musyarakah. The concept of diminishing musyarakah helps Muslims to avoid transaction which are based on riba. The diminishing musyarakah can be defined as an agreement between capital provider and entrepreneurs that enable entrepreneurs to buy equity in instalments where profits and losses are shared based on agreed ratio. The objective of this paper is to determine the internal rate of return (IRR) for a diminishing musyarakah model by applying a numerical method. There are several numerical methods in calculating the IRR such as by using an interpolation method and a trial and error method by using Microsoft Office Excel. In this paper we use a bisection method and secant method as an alternative way in calculating the IRR. It was found that the diminishing musyarakah model can be adapted in managing the performance of joint venture investments. Therefore, this paper will encourage more companies to use the concept of joint venture in managing their investments performance.

BOKASUN: A fast and precise numerical program to calculate the Master Integrals of the two-loop sunrise diagrams

Science.gov (United States)

Caffo, Michele; Czyż, Henryk; Gunia, Michał; Remiddi, Ettore

2009-03-01

We present the program BOKASUN for fast and precise evaluation of the Master Integrals of the two-loop self-mass sunrise diagram for arbitrary values of the internal masses and the external four-momentum. We use a combination of two methods: a Bernoulli accelerated series expansion and a Runge-Kutta numerical solution of a system of linear differential equations. Program summaryProgram title: BOKASUN Catalogue identifier: AECG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 9404 No. of bytes in distributed program, including test data, etc.: 104 123 Distribution format: tar.gz Programming language: FORTRAN77 Computer: Any computer with a Fortran compiler accepting FORTRAN77 standard. Tested on various PC's with LINUX Operating system: LINUX RAM: 120 kbytes Classification: 4.4 Nature of problem: Any integral arising in the evaluation of the two-loop sunrise Feynman diagram can be expressed in terms of a given set of Master Integrals, which should be calculated numerically. The program provides a fast and precise evaluation method of the Master Integrals for arbitrary (but not vanishing) masses and arbitrary value of the external momentum. Solution method: The integrals depend on three internal masses and the external momentum squared p. The method is a combination of an accelerated expansion in 1/p in its (pretty large!) region of fast convergence and of a Runge-Kutta numerical solution of a system of linear differential equations. Running time: To obtain 4 Master Integrals on PC with 2 GHz processor it takes 3 μs for series expansion with pre-calculated coefficients, 80 μs for series expansion without pre-calculated coefficients, from a few seconds up to a few minutes for Runge-Kutta method (depending

Time dependent AN neutron transport calculations in finite media using a numerical inverse Laplace transform technique

International Nuclear Information System (INIS)

Ganapol, B.D.; Sumini, M.

1990-01-01

The time dependent space second order discrete form of the monokinetic transport equation is given an analytical solution, within the Laplace transform domain. Th A n dynamic model is presented and the general resolution procedure is worked out. The solution in the time domain is then obtained through the application of a numerical transform inversion technique. The justification of the research relies in the need to produce reliable and physically meaningful transport benchmarks for dynamic calculations. The paper is concluded by a few results followed by some physical comments

First-principles calculations of mobility

Science.gov (United States)

Krishnaswamy, Karthik

First-principles calculations can be a powerful predictive tool for studying, modeling and understanding the fundamental scattering mechanisms impacting carrier transport in materials. In the past, calculations have provided important qualitative insights, but numerical accuracy has been limited due to computational challenges. In this talk, we will discuss some of the challenges involved in calculating electron-phonon scattering and carrier mobility, and outline approaches to overcome them. Topics will include the limitations of models for electron-phonon interaction, the importance of grid sampling, and the use of Gaussian smearing to replace energy-conserving delta functions. Using prototypical examples of oxides that are of technological importance-SrTiO3, BaSnO3, Ga2O3, and WO3-we will demonstrate computational approaches to overcome these challenges and improve the accuracy. One approach that leads to a distinct improvement in the accuracy is the use of analytic functions for the band dispersion, which allows for an exact solution of the energy-conserving delta function. For select cases, we also discuss direct quantitative comparisons with experimental results. The computational approaches and methodologies discussed in the talk are general and applicable to other materials, and greatly improve the numerical accuracy of the calculated transport properties, such as carrier mobility, conductivity and Seebeck coefficient. This work was performed in collaboration with B. Himmetoglu, Y. Kang, W. Wang, A. Janotti and C. G. Van de Walle, and supported by the LEAST Center, the ONR EXEDE MURI, and NSF.

Lattice dynamics calculations based on density-functional perturbation theory in real space

Science.gov (United States)

Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias

2017-06-01

A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered orbitals as basis functions is demonstrated exemplarily for the all-electron Fritz Haber Institute ab initio molecular simulations (FHI-aims) package. The convergence of the calculations with respect to numerical parameters is carefully investigated and a systematic comparison with finite-difference approaches is performed both for finite (molecules) and extended (periodic) systems. Finally, the scaling tests and scalability tests on massively parallel computer systems demonstrate the computational efficiency.

Numerical Calculation of Transport Based on the Drift-Kinetic Equation for Plasmas in General Toroidal Magnetic Geometry: Convergence and Testing

International Nuclear Information System (INIS)

Reynolds, J. M.; Lopez-Bruna, D.

2009-01-01

This report is the third of a series [Informes Tecnicos Ciemat 1165 y 1172] devoted to the development of a new numerical code to solve the guiding center equation for electrons and ions in toroidal plasmas. Two calculation meshes corresponding to axisymmetric tokamaks are now prepared and the kinetic equation is expanded so the standard terms of neoclassical theory --fi rst order terms in the Larmor radius expansion-- can be identified, restricting the calculations correspondingly. Using model density and temperature profiles for the plasma, several convergence test are performed depending on the calculation meshes and the expansions of the distribution function; then the results are compared with the theory [Hinton and Hazeltine, Rev. Mod. Phys. (1976)]. (Author) 18 refs

Real-space, mean-field algorithm to numerically calculate long-range interactions

Science.gov (United States)

Cadilhe, A.; Costa, B. V.

2016-02-01

Long-range interactions are known to be of difficult treatment in statistical mechanics models. There are some approaches that introduce a cutoff in the interactions or make use of reaction field approaches. However, those treatments suffer the illness of being of limited use, in particular close to phase transitions. The use of open boundary conditions allows the sum of the long-range interactions over the entire system to be done, however, this approach demands a sum over all degrees of freedom in the system, which makes a numerical treatment prohibitive. Techniques like the Ewald summation or fast multipole expansion account for the exact interactions but are still limited to a few thousands of particles. In this paper we introduce a novel mean-field approach to treat long-range interactions. The method is based in the division of the system in cells. In the inner cell, that contains the particle in sight, the 'local' interactions are computed exactly, the 'far' contributions are then computed as the average over the particles inside a given cell with the particle in sight for each of the remaining cells. Using this approach, the large and small cells limits are exact. At a fixed cell size, the method also becomes exact in the limit of large lattices. We have applied the procedure to the two-dimensional anisotropic dipolar Heisenberg model. A detailed comparison between our method, the exact calculation and the cutoff radius approximation were done. Our results show that the cutoff-cell approach outperforms any cutoff radius approach as it maintains the long-range memory present in these interactions, contrary to the cutoff radius approximation. Besides that, we calculated the critical temperature and the critical behavior of the specific heat of the anisotropic Heisenberg model using our method. The results are in excellent agreement with extensive Monte Carlo simulations using Ewald summation.

Numerical studies of pair creation in counterpropagating laser fields

Energy Technology Data Exchange (ETDEWEB)

Ruf, Matthias

2009-05-27

Pair creation from vacuum induced by electromagnetic fields is probably one of the most intriguing phenomena in physics. If the fields are sufficiently strong, the QED vacuum become unstable. Due to the remarkable progress in laser technology during recent years an experimental investigation of pair creation by pure laser light is coming into reach. The focus of this thesis is on pair creation in counterpropagating laser beams. The pair creation probability is calculated employing the numerically obtained solutions of the Dirac equation. This numerical ansatz has the capability of calculating the momentum distribution of the created pairs in a single propagation, for pure time dependent field configurations. Furthermore, it allows to take the magnetic component of the laser fields into account, which is usually neglected. The latter strongly affects the creation process at high laser frequency. The involved numerical calculations are rather time consuming, therefore the second project of this thesis was to develop a highly efficient code for solving relativistic quantum mechanical problems. This is accomplished by adopting the split-operator method to the Klein-Gordon equation. Here the possibility arises to use parallel computing. However the corresponding spin-statistics becomes crucial in the case of pair creation, demonstrated in several examples. (orig.)

Numerical studies of pair creation in counterpropagating laser fields

International Nuclear Information System (INIS)

Ruf, Matthias

2009-01-01

Pair creation from vacuum induced by electromagnetic fields is probably one of the most intriguing phenomena in physics. If the fields are sufficiently strong, the QED vacuum become unstable. Due to the remarkable progress in laser technology during recent years an experimental investigation of pair creation by pure laser light is coming into reach. The focus of this thesis is on pair creation in counterpropagating laser beams. The pair creation probability is calculated employing the numerically obtained solutions of the Dirac equation. This numerical ansatz has the capability of calculating the momentum distribution of the created pairs in a single propagation, for pure time dependent field configurations. Furthermore, it allows to take the magnetic component of the laser fields into account, which is usually neglected. The latter strongly affects the creation process at high laser frequency. The involved numerical calculations are rather time consuming, therefore the second project of this thesis was to develop a highly efficient code for solving relativistic quantum mechanical problems. This is accomplished by adopting the split-operator method to the Klein-Gordon equation. Here the possibility arises to use parallel computing. However the corresponding spin-statistics becomes crucial in the case of pair creation, demonstrated in several examples. (orig.)

Bessel function expansion to reduce the calculation time and memory usage for cylindrical computer-generated holograms.

Science.gov (United States)

Sando, Yusuke; Barada, Daisuke; Jackin, Boaz Jessie; Yatagai, Toyohiko

2017-07-10

This study proposes a method to reduce the calculation time and memory usage required for calculating cylindrical computer-generated holograms. The wavefront on the cylindrical observation surface is represented as a convolution integral in the 3D Fourier domain. The Fourier transformation of the kernel function involving this convolution integral is analytically performed using a Bessel function expansion. The analytical solution can drastically reduce the calculation time and the memory usage without any cost, compared with the numerical method using fast Fourier transform to Fourier transform the kernel function. In this study, we present the analytical derivation, the efficient calculation of Bessel function series, and a numerical simulation. Furthermore, we demonstrate the effectiveness of the analytical solution through comparisons of calculation time and memory usage.

Analytical and numerical calculation of magnetic field distribution in the slotted air-gap of tangential surface permanent-magnet motors

Directory of Open Access Journals (Sweden)

Boughrara Kamel

2009-01-01

Full Text Available This paper deals with the analytical and numerical analysis of the flux density distribution in the slotted air gap of permanent magnet motors with surface mounted tangentially magnetized permanent magnets. Two methods for magnetostatic field calculations are developed. The first one is an analytical method in which the effect of stator slots is taken into account by modulating the magnetic field distribution by the complex relative air gap permeance. The second one is a numerical method using 2-D finite element analysis with consideration of Dirichlet and anti-periodicity (periodicity boundary conditions and Lagrange Multipliers for simulation of movement. The results obtained by the analytical method are compared to the results of finite-element analysis.

On numerical calculation of Rényi entropy for a sphere

Energy Technology Data Exchange (ETDEWEB)

Kim, Nakwoo, E-mail: nkim@khu.ac.kr

2014-06-02

We numerically compute the Rényi entropy for four-dimensional free scalar field theory with a spherical entangling surface. As is well known, the Rényi entropy as a function of the boundary area exhibits linear dependence in the leading order. The coefficient of the subleading logarithmic term from our numerical data, as a function of the Rényi order q, agrees nicely with the general prediction of conformal field theory computation. The motivation of this work is also partly to see how the efficiency of numerical computation changes as a function of q. For q<1 the summation over eigenvalues of reduced density matrix takes longer since the series converges more slowly than for q=1. For q>1 the convergence is faster, but the relative error becomes large as a general trend.

Uncertainties and demonstration of compliance with numerical risk standards

International Nuclear Information System (INIS)

Preyssl, C.; Cullingford, M.C.

1987-01-01

When dealing with numerical results of a probabilistic risk analysis performed for a complex system, such as a nuclear power plant, one major objective may be to deal with the problem of compliance or non-compliance with a prefixed risk standard. The uncertainties in the risk results associated with the consequences and their probabilities of occurrence may be considered by representing the risk as a risk band. Studying the area and distance between the upper and lower bound of the risk band provides consistent information on the uncertainties in terms of risk, not by means of scalars only but also by real functions. Criteria can be defined for determining compliance with a numerical risk standard, and the 'weighting functional' method, representing a possible tool for testing compliance of risk results, is introduced. By shifting the upper confidence bound due to redefinition, part of the risk band may exceed the standard without changing the underlying results. Using the concept described it is possible to determine the amount of risk, i.e. uncertainty, exceeding the standard. The mathematical treatment of uncertainties therefore allows probabilistic risk assessment results to be compared. A realistic example illustrates the method. (author)

Comparison of two numerical modelling codes for hydraulic and transport calculations in the near-field

International Nuclear Information System (INIS)

Kalin, J.; Petkovsek, B.; Montarnal, Ph.; Genty, A.; Deville, E.; Krivic, J.; Ratej, J.

2011-01-01

In the past years the Slovenian Performance Analysis/Safety Assessment team has performed many generic studies for the future Slovenian low and intermediate level waste repository, most recently a Special Safety Analysis for the Krsko site. The modelling approach was to split the problem into three parts: near-field (detailed model of the repository), far-field (i.e., geosphere) and biosphere. In the Special Safety Analysis the code used to perform the near-field calculations was Hydrus2D. Recently the team has begun a cooperation with the French Commisariat al'Energie Atomique/Saclay (CEA/Saclay) and, as a part of this cooperation, began investigations into using the Alliances numerical platform for near-field calculations in order to compare the overall approach and calculated results. The article presents the comparison between these two codes for a silo-type repository that was considered in the Special Safety Analysis. The physical layout and characteristics of the repository are presented and a hydraulic and transport model of the repository is developed and implemented in Alliances. Some analysis of sensitivity to mesh fineness and to simulation timestep has been preformed and is also presented. The compared quantity is the output flux of radionuclides on the boundary of the model. Finally the results from Hydrus2D and Alliances are compared and the differences and similarities are commented.

Comparison of two numerical modelling codes for hydraulic and transport calculations in the near-field

Energy Technology Data Exchange (ETDEWEB)

Kalin, J., E-mail: jan.kalin@zag.s [Slovenian National Building and Civil Engineering Institute, Dimiceva 12, SI-1000 Ljubljana (Slovenia); Petkovsek, B., E-mail: borut.petkovsek@zag.s [Slovenian National Building and Civil Engineering Institute, Dimiceva 12, SI-1000 Ljubljana (Slovenia); Montarnal, Ph., E-mail: philippe.montarnal@cea.f [CEA/Saclay, DM2S/SFME/LSET, Gif-sur-Yvette, 91191 cedex (France); Genty, A., E-mail: alain.genty@cea.f [CEA/Saclay, DM2S/SFME/LSET, Gif-sur-Yvette, 91191 cedex (France); Deville, E., E-mail: estelle.deville@cea.f [CEA/Saclay, DM2S/SFME/LSET, Gif-sur-Yvette, 91191 cedex (France); Krivic, J., E-mail: jure.krivic@geo-zs.s [Geological Survey of Slovenia, Dimiceva 14, SI-1000 Ljubljana (Slovenia); Ratej, J., E-mail: joze.ratej@geo-zs.s [Geological Survey of Slovenia, Dimiceva 14, SI-1000 Ljubljana (Slovenia)

2011-04-15

In the past years the Slovenian Performance Analysis/Safety Assessment team has performed many generic studies for the future Slovenian low and intermediate level waste repository, most recently a Special Safety Analysis for the Krsko site. The modelling approach was to split the problem into three parts: near-field (detailed model of the repository), far-field (i.e., geosphere) and biosphere. In the Special Safety Analysis the code used to perform the near-field calculations was Hydrus2D. Recently the team has begun a cooperation with the French Commisariat al'Energie Atomique/Saclay (CEA/Saclay) and, as a part of this cooperation, began investigations into using the Alliances numerical platform for near-field calculations in order to compare the overall approach and calculated results. The article presents the comparison between these two codes for a silo-type repository that was considered in the Special Safety Analysis. The physical layout and characteristics of the repository are presented and a hydraulic and transport model of the repository is developed and implemented in Alliances. Some analysis of sensitivity to mesh fineness and to simulation timestep has been preformed and is also presented. The compared quantity is the output flux of radionuclides on the boundary of the model. Finally the results from Hydrus2D and Alliances are compared and the differences and similarities are commented.

Mixed layer depth calculation in deep convection regions in ocean numerical models

Science.gov (United States)

Courtois, Peggy; Hu, Xianmin; Pennelly, Clark; Spence, Paul; Myers, Paul G.

2017-12-01

Mixed Layer Depths (MLDs) diagnosed by conventional numerical models are generally based on a density difference with the surface (e.g., 0.01 kg.m-3). However, the temperature-salinity compensation and the lack of vertical resolution contribute to over-estimated MLD, especially in regions of deep convection. In the present work, we examined the diagnostic MLD, associated with the deep convection of the Labrador Sea Water (LSW), calculated with a simple density difference criterion. The over-estimated MLD led us to develop a new tool, based on an observational approach, to recalculate MLD from model output. We used an eddy-permitting, 1/12° regional configuration of the Nucleus for European Modelling of the Ocean (NEMO) to test and discuss our newly defined MLD. We compared our new MLD with that from observations, and we showed a major improvement with our new algorithm. To show the new MLD is not dependent on a single model and its horizontal resolution, we extended our analysis to include 1/4° eddy-permitting simulations, and simulations using the Modular Ocean Model (MOM) model.

New nonlinear methods for linear transport calculations

International Nuclear Information System (INIS)

Adams, M.L.

1993-01-01

We present a new family of methods for the numerical solution of the linear transport equation. With these methods an iteration consists of an 'S N sweep' followed by an 'S 2 -like' calculation. We show, by analysis as well as numerical results, that iterative convergence is always rapid. We show that this rapid convergence does not depend on a consistent discretization of the S 2 -like equations - they can be discretized independently from the S N equations. We show further that independent discretizations can offer significant advantages over consistent ones. In particular, we find that in a wide range of problems, an accurate discretization of the S 2 -like equation can be combined with a crude discretization of the S N equations to produce an accurate S N answer. We demonstrate this by analysis as well as numerical results. (orig.)

Numerical comparison between Maxwell stress method and equivalent multipole approach for calculation of the dielectrophoretic force in single-cell traps.

Science.gov (United States)

Rosales, Carlos; Lim, Kian Meng

2005-06-01

This paper presents detailed numerical calculations of the dielectrophoretic force in traps designed for single-cell trapping. A trap with eight planar electrodes is studied for spherical and ellipsoidal particles using the boundary element method (BEM). Multipolar approximations of orders one to three are compared with the full Maxwell stress tensor (MST) calculation of the electrical force on spherical particles. Ellipsoidal particles are also studied, but in their case only the dipolar approximation is available for comparison with the MST solution. The results show that a small number of multipolar terms need to be considered in order to obtain accurate results for spheres, even in the proximity of the electrodes, and that the full MST calculation is only required in the study of non-spherical particles.

Time's arrow: A numerical experiment

Science.gov (United States)

Fowles, G. Richard

1994-04-01

The dependence of time's arrow on initial conditions is illustrated by a numerical example in which plane waves produced by an initial pressure pulse are followed as they are multiply reflected at internal interfaces of a layered medium. Wave interactions at interfaces are shown to be analogous to the retarded and advanced waves of point sources. The model is linear and the calculation is exact and demonstrably time reversible; nevertheless the results show most of the features expected of a macroscopically irreversible system, including the approach to the Maxwell-Boltzmann distribution, ergodicity, and concomitant entropy increase.

Research on GPU-accelerated algorithm in 3D finite difference neutron diffusion calculation method

International Nuclear Information System (INIS)

Xu Qi; Yu Ganglin; Wang Kan; Sun Jialong

2014-01-01

In this paper, the adaptability of the neutron diffusion numerical algorithm on GPUs was studied, and a GPU-accelerated multi-group 3D neutron diffusion code based on finite difference method was developed. The IAEA 3D PWR benchmark problem was calculated in the numerical test. The results demonstrate both high efficiency and adequate accuracy of the GPU implementation for neutron diffusion equation. (authors)

Probabilistic numerics and uncertainty in computations.

Science.gov (United States)

Hennig, Philipp; Osborne, Michael A; Girolami, Mark

2015-07-08

We deliver a call to arms for probabilistic numerical methods : algorithms for numerical tasks, including linear algebra, integration, optimization and solving differential equations, that return uncertainties in their calculations. Such uncertainties, arising from the loss of precision induced by numerical calculation with limited time or hardware, are important for much contemporary science and industry. Within applications such as climate science and astrophysics, the need to make decisions on the basis of computations with large and complex data have led to a renewed focus on the management of numerical uncertainty. We describe how several seminal classic numerical methods can be interpreted naturally as probabilistic inference. We then show that the probabilistic view suggests new algorithms that can flexibly be adapted to suit application specifics, while delivering improved empirical performance. We provide concrete illustrations of the benefits of probabilistic numeric algorithms on real scientific problems from astrometry and astronomical imaging, while highlighting open problems with these new algorithms. Finally, we describe how probabilistic numerical methods provide a coherent framework for identifying the uncertainty in calculations performed with a combination of numerical algorithms (e.g. both numerical optimizers and differential equation solvers), potentially allowing the diagnosis (and control) of error sources in computations.

Sensitivity analysis of numerical solutions for environmental fluid problems

International Nuclear Information System (INIS)

Tanaka, Nobuatsu; Motoyama, Yasunori

2003-01-01

In this study, we present a new numerical method to quantitatively analyze the error of numerical solutions by using the sensitivity analysis. If a reference case of typical parameters is one calculated with the method, no additional calculation is required to estimate the results of the other numerical parameters such as more detailed solutions. Furthermore, we can estimate the strict solution from the sensitivity analysis results and can quantitatively evaluate the reliability of the numerical solution by calculating the numerical error. (author)

Conjugate-gradient optimization method for orbital-free density functional calculations.

Science.gov (United States)

Jiang, Hong; Yang, Weitao

2004-08-01

Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient. (c) 2004 American Institute of Physics.

An example demonstrating the conservatism of pipe calculations using KTA safety standard 3201.2

International Nuclear Information System (INIS)

Zeitner, W.

1991-01-01

The conservatism of the code calculation is demonstrated by using an example of a highly stressed pipe subject to internal pressure and a dynamic bending moment. For this reason the allowable code loadings are compared with the load carrying capacity, which is derived by realistic analysis (plastic strains) and experiment. The latter analysis is based on measured stress-strain curves of materials and stresses at which crack initiation occurs. The experiment shows that the pipe is capable of withstanding considerably higher loads than the code permits. The realistic analysis explains this discrepancy. (orig.)

Calculation of molecular free energies in classical potentials

International Nuclear Information System (INIS)

Farhi, Asaf; Singh, Bipin

2016-01-01

Free energies of molecules can be calculated by quantum chemistry computations or by normal mode classical calculations. However, the first can be computationally impractical for large molecules and the second is based on the assumption of harmonic dynamics. We present a novel, accurate and complete calculation of molecular free energies in standard classical potentials. In this method we transform the molecule by relaxing potential terms which depend on the coordinates of a group of atoms in that molecule and calculate the free energy difference associated with the transformation. Then, since the transformed molecule can be treated as non-interacting systems, the free energy associated with these atoms is analytically or numerically calculated. This two-step calculation can be applied to calculate free energies of molecules or free energy difference between (possibly large) molecules in a general environment. We demonstrate the method in free energy calculations for methanethiol and butane molecules in vacuum and solvent. We suggest the potential application of free energy calculation of chemical reactions in classical molecular simulations. (paper)

Dissipative exciton transfer in donor-bridge-acceptor systems: numerical renormalization group calculation of equilibrium properties

Energy Technology Data Exchange (ETDEWEB)

Tornow, Sabine [Theoretische Physik III, Elektronische Korrelationen und Magnetismus, Universitaet Augsburg, 86135 Augsburg (Germany); Tong, Ning-Hua [Institut fuer Theorie der Kondensierten Materie, Universitaet Karlsruhe, 76128 Karlsruhe (Germany); Bulla, Ralf [Theoretische Physik III, Elektronische Korrelationen und Magnetismus, Universitaet Augsburg, 86135 Augsburg (Germany)

2006-07-05

We present a detailed model study of exciton transfer processes in donor-bridge-acceptor (DBA) systems. Using a model which includes the intermolecular Coulomb interaction and the coupling to a dissipative environment we calculate the phase diagram, the absorption spectrum as well as dynamic equilibrium properties with the numerical renormalization group. This method is non-perturbative and therefore allows one to cover the full parameter space, especially the case when the intermolecular Coulomb interaction is of the same order as the coupling to the environment and perturbation theory cannot be applied. For DBA systems with up to six sites we found a transition to the localized phase (self-trapping) depending on the coupling to the dissipative environment. We discuss various criteria which favour delocalized exciton transfer.

Dissipative exciton transfer in donor-bridge-acceptor systems: numerical renormalization group calculation of equilibrium properties.

Science.gov (United States)

Tornow, Sabine; Tong, Ning-Hua; Bulla, Ralf

2006-07-05

We present a detailed model study of exciton transfer processes in donor-bridge-acceptor (DBA) systems. Using a model which includes the intermolecular Coulomb interaction and the coupling to a dissipative environment we calculate the phase diagram, the absorption spectrum as well as dynamic equilibrium properties with the numerical renormalization group. This method is non-perturbative and therefore allows one to cover the full parameter space, especially the case when the intermolecular Coulomb interaction is of the same order as the coupling to the environment and perturbation theory cannot be applied. For DBA systems with up to six sites we found a transition to the localized phase (self-trapping) depending on the coupling to the dissipative environment. We discuss various criteria which favour delocalized exciton transfer.

Numerical solution of boundary-integral equations for molecular electrostatics.

Science.gov (United States)

Bardhan, Jaydeep P

2009-03-07

Numerous molecular processes, such as ion permeation through channel proteins, are governed by relatively small changes in energetics. As a result, theoretical investigations of these processes require accurate numerical methods. In the present paper, we evaluate the accuracy of two approaches to simulating boundary-integral equations for continuum models of the electrostatics of solvation. The analysis emphasizes boundary-element method simulations of the integral-equation formulation known as the apparent-surface-charge (ASC) method or polarizable-continuum model (PCM). In many numerical implementations of the ASC/PCM model, one forces the integral equation to be satisfied exactly at a set of discrete points on the boundary. We demonstrate in this paper that this approach to discretization, known as point collocation, is significantly less accurate than an alternative approach known as qualocation. Furthermore, the qualocation method offers this improvement in accuracy without increasing simulation time. Numerical examples demonstrate that electrostatic part of the solvation free energy, when calculated using the collocation and qualocation methods, can differ significantly; for a polypeptide, the answers can differ by as much as 10 kcal/mol (approximately 4% of the total electrostatic contribution to solvation). The applicability of the qualocation discretization to other integral-equation formulations is also discussed, and two equivalences between integral-equation methods are derived.

Numerical Studies of a Fluidic Diverter for Flow Control

Science.gov (United States)

Gokoglu, Suleyman A.; Kuczmarski, Maria A.; Culley, Dennis E.; Raghu, Surya

2009-01-01

The internal flow structure in a specific fluidic diverter is studied over a range from low subsonic to sonic inlet conditions by a time-dependent numerical analysis. The understanding will aid in the development of fluidic diverters with minimum pressure losses and advanced designs of flow control actuators. The velocity, temperature and pressure fields are calculated for subsonic conditions and the self-induced oscillatory behavior of the flow is successfully predicted. The results of our numerical studies have excellent agreement with our experimental measurements of oscillation frequencies. The acoustic speed in the gaseous medium is determined to be a key factor for up to sonic conditions in governing the mechanism of initiating the oscillations as well as determining its frequency. The feasibility of employing plasma actuation with a minimal perturbation level is demonstrated in steady-state calculations to also produce oscillation frequencies of our own choosing instead of being dependent on the fixed-geometry fluidic device.

Numerical Calculation of Transport Based on the Drift-Kinetic Equation for Plasmas in General Toroidal Magnetic Geometry: Numerical Methods

International Nuclear Information System (INIS)

Reynolds, J. M.; Lopez-Bruna, D.

2009-01-01

In this report we continue with the description of a newly developed numerical method to solve the drift kinetic equation for ions and electrons in toroidal plasmas. Several numerical aspects, already outlined in a previous report [Informes Tecnicos Ciemat 1165, mayo 2009], will be treated now in more detail. Aside from discussing the method in the context of other existing codes, various aspects will be now explained from the viewpoint of numerical methods: the way to solve convection equations, the adopted boundary conditions, the real-space meshing procedures along with a new software developed to build them, and some additional questions related with the parallelization and the numerical integration. (Author) 16 refs

Numerical methods to calculate solar radiation, validation through a new Graphic User Interface design

International Nuclear Information System (INIS)

Mesri, Mokhtaria

2015-01-01

Highlights: • Rare measuring networks in the developing world due to technical and fiscal reasons. • Insufficient attention is paid regarding to tools for solar energy systems design. • The new interface offers solutions to the insisting need for innovative decisions. • Comprehensive comparative studies are conducted using experimental measurements. • Results are with attractive margins of error in accordance with experimental data. - Abstract: The present paper is basically devoted to the estimation of solar radiation in order to provide data on the situation of solar applications in a given site; it also aims at contributing to the performance improvement of solar energy systems. I aim to show and evaluate the performance of the most appropriate models used to recover solar components at ground level, via confronting meteorological techniques to selected semi empirical methods. I have adopted an innovative approach to testing the theory through numerical simulation by providing a friendly user ergonomic Graphic User Interface ‘GUI’, carefully designed and that principally makes use of a large range of models for the calculation of solar components. In this article I may consider three numerical models namely: Lacis and Hansen, Atwater and Ball and Lui and Jordon, which are used here to elucidate the performance of such methods facing meteorological models such as those of Angstrom, Garg and Coppolino. I debate the advantages of these latest methods, and I argue that they are of big importance because the main variable that is used is sunshine duration. Some of them involve the water content in the atmosphere, a particularly important parameter which strongly absorbs solar radiation in the infrared region. They are also perfectly suited for locations where solar irradiance is not being measured by all hydrometeorological stations, and where only meteorological data are collected. I want to complete this paper by demonstrating the efficiency of the

Numerical calculation of hemolysis levels in peripheral hemodialysis cannulas

NARCIS (Netherlands)

De Wachter, D; Verdonck, P

Hemolysis in extracorporeal life support systems presents an underestimated problem. In this article, we investigate the hemolytic potential of peripheral hemodialysis cannulas numerically. An axisymmetrical finite element model of 3 cannula sizes was built (13G, 14G, and 16G) that was refined

A numerical testbed for remote sensing of aerosols, and its demonstration for evaluating retrieval synergy from a geostationary satellite constellation of GEO-CAPE and GOES-R

International Nuclear Information System (INIS)

Wang, Jun; Xu, Xiaoguang; Ding, Shouguo; Zeng, Jing; Spurr, Robert; Liu, Xiong; Chance, Kelly; Mishchenko, Michael

2014-01-01

We present a numerical testbed for remote sensing of aerosols, together with a demonstration for evaluating retrieval synergy from a geostationary satellite constellation. The testbed combines inverse (optimal-estimation) software with a forward model containing linearized code for computing particle scattering (for both spherical and non-spherical particles), a kernel-based (land and ocean) surface bi-directional reflectance facility, and a linearized radiative transfer model for polarized radiance. Calculation of gas absorption spectra uses the HITRAN (HIgh-resolution TRANsmission molecular absorption) database of spectroscopic line parameters and other trace species cross-sections. The outputs of the testbed include not only the Stokes 4-vector elements and their sensitivities (Jacobians) with respect to the aerosol single scattering and physical parameters (such as size and shape parameters, refractive index, and plume height), but also DFS (Degree of Freedom for Signal) values for retrieval of these parameters. This testbed can be used as a tool to provide an objective assessment of aerosol information content that can be retrieved for any constellation of (planned or real) satellite sensors and for any combination of algorithm design factors (in terms of wavelengths, viewing angles, radiance and/or polarization to be measured or used). We summarize the components of the testbed, including the derivation and validation of analytical formulae for Jacobian calculations. Benchmark calculations from the forward model are documented. In the context of NASA's Decadal Survey Mission GEO-CAPE (GEOstationary Coastal and Air Pollution Events), we demonstrate the use of the testbed to conduct a feasibility study of using polarization measurements in and around the O 2 A band for the retrieval of aerosol height information from space, as well as an to assess potential improvement in the retrieval of aerosol fine and coarse mode aerosol optical depth (AOD) through the

The number processing and calculation system: evidence from cognitive neuropsychology.

Science.gov (United States)

Salguero-Alcañiz, M P; Alameda-Bailén, J R

2015-04-01

Cognitive neuropsychology focuses on the concepts of dissociation and double dissociation. The performance of number processing and calculation tasks by patients with acquired brain injury can be used to characterise the way in which the healthy cognitive system manipulates number symbols and quantities. The objective of this study is to determine the components of the numerical processing and calculation system. Participants consisted of 6 patients with acquired brain injuries in different cerebral localisations. We used Batería de evaluación del procesamiento numérico y el cálculo, a battery assessing number processing and calculation. Data was analysed using the difference in proportions test. Quantitative numerical knowledge is independent from number transcoding, qualitative numerical knowledge, and calculation. Recodification is independent from qualitative numerical knowledge and calculation. Quantitative numerical knowledge and calculation are also independent functions. The number processing and calculation system comprises at least 4 components that operate independently: quantitative numerical knowledge, number transcoding, qualitative numerical knowledge, and calculation. Therefore, each one may be damaged selectively without affecting the functioning of another. According to the main models of number processing and calculation, each component has different characteristics and cerebral localisations. Copyright © 2013 Sociedad Española de Neurología. Published by Elsevier Espana. All rights reserved.

MONOTONIC DERIVATIVE CORRECTION FOR CALCULATION OF SUPERSONIC FLOWS WITH SHOCK WAVES

Directory of Open Access Journals (Sweden)

P. V. Bulat

2015-07-01

Full Text Available Subject of Research. Numerical solution methods of gas dynamics problems based on exact and approximate solution of Riemann problem are considered. We have developed an approach to the solution of Euler equations describing flows of inviscid compressible gas based on finite volume method and finite difference schemes of various order of accuracy. Godunov scheme, Kolgan scheme, Roe scheme, Harten scheme and Chakravarthy-Osher scheme are used in calculations (order of accuracy of finite difference schemes varies from 1st to 3rd. Comparison of accuracy and efficiency of various finite difference schemes is demonstrated on the calculation example of inviscid compressible gas flow in Laval nozzle in the case of continuous acceleration of flow in the nozzle and in the case of nozzle shock wave presence. Conclusions about accuracy of various finite difference schemes and time required for calculations are made. Main Results. Comparative analysis of difference schemes for Euler equations integration has been carried out. These schemes are based on accurate and approximate solution for the problem of an arbitrary discontinuity breakdown. Calculation results show that monotonic derivative correction provides numerical solution uniformity in the breakdown neighbourhood. From the one hand, it prevents formation of new points of extremum, providing the monotonicity property, but from the other hand, causes smoothing of existing minimums and maximums and accuracy loss. Practical Relevance. Developed numerical calculation method gives the possibility to perform high accuracy calculations of flows with strong non-stationary shock and detonation waves. At the same time, there are no non-physical solution oscillations on the shock wave front.

Numerical calculation procedure for criticality parameters of the two-zone reflected reactor with flat central zone

International Nuclear Information System (INIS)

Bosevski, T.; Strugar, P.

1966-10-01

In determining the criticality parameters of a two-zone reactor with flat central zone one encounters a numerical problem requiring the solution of a system of two non-linear equations. To solve them the Newton method, which proved convenient, was used n this work. By comparing our results with those reported one obtains about 5% smaller values of both the radius of the flat zone and of the radial buckling of the outer zone. This discrepancy probably results from some approximations used in solving the same system of equations used in solving the same system of equations where the procedure form was applied, whereas the calculation time is by one order of magnitude smaller

Nodal methods in numerical reactor calculations

International Nuclear Information System (INIS)

Hennart, J.P.; Valle, E. del

2004-01-01

The present work describes the antecedents, developments and applications started in 1972 with Prof. Hennart who was invited to be part of the staff of the Nuclear Engineering Department at the School of Physics and Mathematics of the National Polytechnic Institute. Since that time and up to 1981, several master theses based on classical finite element methods were developed with applications in point kinetics and in the steady state as well as the time dependent multigroup diffusion equations. After this period the emphasis moved to nodal finite elements in 1, 2 and 3D cartesian geometries. All the thesis were devoted to the numerical solution of the neutron multigroup diffusion and transport equations, few of them including the time dependence, most of them related with steady state diffusion equations. The main contributions were as follows: high order nodal schemes for the primal and mixed forms of the diffusion equations, block-centered finite-differences methods, post-processing, composite nodal finite elements for hexagons, and weakly and strongly discontinuous schemes for the transport equation. Some of these are now being used by several researchers involved in nuclear fuel management. (Author)

Nodal methods in numerical reactor calculations

Energy Technology Data Exchange (ETDEWEB)

Hennart, J P [UNAM, IIMAS, A.P. 20-726, 01000 Mexico D.F. (Mexico); Valle, E del [National Polytechnic Institute, School of Physics and Mathematics, Department of Nuclear Engineering, Mexico, D.F. (Mexico)

2004-07-01

The present work describes the antecedents, developments and applications started in 1972 with Prof. Hennart who was invited to be part of the staff of the Nuclear Engineering Department at the School of Physics and Mathematics of the National Polytechnic Institute. Since that time and up to 1981, several master theses based on classical finite element methods were developed with applications in point kinetics and in the steady state as well as the time dependent multigroup diffusion equations. After this period the emphasis moved to nodal finite elements in 1, 2 and 3D cartesian geometries. All the thesis were devoted to the numerical solution of the neutron multigroup diffusion and transport equations, few of them including the time dependence, most of them related with steady state diffusion equations. The main contributions were as follows: high order nodal schemes for the primal and mixed forms of the diffusion equations, block-centered finite-differences methods, post-processing, composite nodal finite elements for hexagons, and weakly and strongly discontinuous schemes for the transport equation. Some of these are now being used by several researchers involved in nuclear fuel management. (Author)

A fully relativistic approach for calculating atomic data for highly charged ions

Energy Technology Data Exchange (ETDEWEB)

Zhang, Hong Lin [Los Alamos National Laboratory; Fontes, Christopher J [Los Alamos National Laboratory; Sampson, Douglas H [PENNSYLVANIA STATE UNIV

2009-01-01

We present a review of our fully relativistic approach to calculating atomic data for highly charged ions, highlighting a research effort that spans twenty years. Detailed discussions of both theoretical and numerical techniques are provided. Our basic approach is expected to provide accurate results for ions that range from approximately half ionized to fully stripped. Options for improving the accuracy and range of validity of this approach are also discussed. In developing numerical methods for calculating data within this framework, considerable emphasis is placed on techniques that are robust and efficient. A variety of fundamental processes are considered including: photoexcitation, electron-impact excitation, electron-impact ionization, autoionization, electron capture, photoionization and photorecombination. Resonance contributions to a variety of these processes are also considered, including discussions of autoionization, electron capture and dielectronic recombination. Ample numerical examples are provided in order to illustrate the approach and to demonstrate its usefulness in providing data for large-scale plasma modeling.

Numerical calculation of the entanglement entropy for scalar field in dilaton spacetimes

Science.gov (United States)

Huang, Shifeng; Fang, Xiongjun; Jing, Jiliang

2018-06-01

Using coupled harmonic oscillators model, we numerical analyze the entanglement entropy of massless scalar field in Gafinkle-Horowitz-Strominger (GHS) dilaton spacetime and Gibbons-Maeda (GM) dilaton spacetime. By numerical fitting, we find that the entanglement entropy of the dilaton black holes receive contribution from dilaton charge and is proportional to the area of the event horizon. It is interesting to note that the results of numerical fitting are coincide with ones obtained by using brick wall method and Euclidean path integral approach.

A Numerical Method for Analyzing Electromagnetic Scattering Properties of a Moving Conducting Object

Directory of Open Access Journals (Sweden)

Lei Kuang

2014-01-01

Full Text Available A novel numerical approach is developed to analyze electromagnetic scattering properties of a moving conducting object based on the finite-difference time-domain (FDTD algorithm. Relativistic boundary conditions are implemented into the FDTD algorithm to calculate the electromagnetic field on the moving boundary. An improved technique is proposed to solve the scattered field in order to improve the computational efficiency and stability of solutions. The time-harmonic scattered field from a one-dimensional moving conducting surface is first simulated by the proposed approach. Numerical results show that the amplitude and frequency of the scattered field suffer a modulation shift. Then the transient scattered field is calculated, and broadband electromagnetic scattering properties of the moving conducting surface are obtained by the fast Fourier transform (FFT. Finally, the scattered field from a two-dimensional moving square cylinder is analyzed. The numerical results demonstrate the Doppler effect of a moving conducting object. The simulated results agree well with analytical results.

Microhartree precision in density functional theory calculations

Science.gov (United States)

Gulans, Andris; Kozhevnikov, Anton; Draxl, Claudia

2018-04-01

To address ultimate precision in density functional theory calculations we employ the full-potential linearized augmented plane-wave + local-orbital (LAPW + lo) method and justify its usage as a benchmark method. LAPW + lo and two completely unrelated numerical approaches, the multiresolution analysis (MRA) and the linear combination of atomic orbitals, yield total energies of atoms with mean deviations of 0.9 and 0.2 μ Ha , respectively. Spectacular agreement with the MRA is reached also for total and atomization energies of the G2-1 set consisting of 55 molecules. With the example of α iron we demonstrate the capability of LAPW + lo to reach μ Ha /atom precision also for periodic systems, which allows also for the distinction between the numerical precision and the accuracy of a given functional.

Validation of numeric methods for calculating interactions between district heating pipelines and the surrounding soil; Validierung numerischer Verfahren zur Berechnung des Interaktionsverhaltens 'Fernwaermeleitung - Baugrund'

Energy Technology Data Exchange (ETDEWEB)

Salveter, G.

2000-07-01

In this thesis, the results of experimental research work on global bearing behaviour with respect to the existing theoretical basis are systematically analysed for the evaluation and interpretation of measuring results. Among other things, the geometry of the pipeline route, the compactness of the backfilling material and the temperature dependence are considered. The mutual influence of friction and bedding resistances in the region of bends could not yet be determined for a local analysis by existing numerical models. This requires the determination of the induced stress distribution on the pipe perimeter due to lateral displacement of the pipe. The influence is therefore described by a numerical consideration of relative displacements between the pipe and the surrounding soil. Ultimately, relative displacements are verified on the basis of our own complementary results from experimental research carried out in a laboratory for soil mechanics with specially designed test equipment. The global analysis of bearing loads and displacements is done with a numerical model, in which the plastic jacked pipe is idealized as a beam, and the effect of the soil is idealized by spring elements with non-linear force displacement characteristics. An existing numerical model is extended with regard to the new findings and while taking vertical displacements into account. It is used for numerical simulations of selected tests on the global bearing behaviour of underground district heating pipelines which were carried out as part of the research cooperation project. Apart from a good correspondence between calculated results and test results this also provides a plausible description of interrelations. At the same time, however, it also makes itclear that further research is necessary. This thesis provides a contribution to the validation of recent methods for the calculated modelling of the interaction between a district heating pipeline and the subsoil on the basis of

Numerical Integration Techniques for Curved-Element Discretizations of Molecule–Solvent Interfaces

Science.gov (United States)

Bardhan, Jaydeep P.; Altman, Michael D.; Willis, David J.; Lippow, Shaun M.; Tidor, Bruce; White, Jacob K.

2012-01-01

Surface formulations of biophysical modeling problems offer attractive theoretical and computational properties. Numerical simulations based on these formulations usually begin with discretization of the surface under consideration; often, the surface is curved, possessing complicated structure and possibly singularities. Numerical simulations commonly are based on approximate, rather than exact, discretizations of these surfaces. To assess the strength of the dependence of simulation accuracy on the fidelity of surface representation, we have developed methods to model several important surface formulations using exact surface discretizations. Following and refining Zauhar’s work (J. Comp.-Aid. Mol. Des. 9:149-159, 1995), we define two classes of curved elements that can exactly discretize the van der Waals, solvent-accessible, and solvent-excluded (molecular) surfaces. We then present numerical integration techniques that can accurately evaluate nonsingular and singular integrals over these curved surfaces. After validating the exactness of the surface discretizations and demonstrating the correctness of the presented integration methods, we present a set of calculations that compare the accuracy of approximate, planar-triangle-based discretizations and exact, curved-element-based simulations of surface-generalized-Born (sGB), surface-continuum van der Waals (scvdW), and boundary-element method (BEM) electrostatics problems. Results demonstrate that continuum electrostatic calculations with BEM using curved elements, piecewise-constant basis functions, and centroid collocation are nearly ten times more accurate than planartriangle BEM for basis sets of comparable size. The sGB and scvdW calculations give exceptional accuracy even for the coarsest obtainable discretized surfaces. The extra accuracy is attributed to the exact representation of the solute–solvent interface; in contrast, commonly used planar-triangle discretizations can only offer improved

Calculation of three-dimensional MHD equilibria with islands and stochastic regions

International Nuclear Information System (INIS)

Reiman, A.; Greenside, H.

1986-08-01

A three-dimensional MHD equilibrium code is described that does not assume the existence of good surfaces. Given an initial guess for the magnetic field, the code proceeds by calculating the pressure-driven current and then by updating the field using Ampere's law. The numerical algorithm to solve the magnetic differential equation for the pressure-driven current is described, and demonstrated for model fields having islands and stochastic regions. The numerical algorithm which solves Ampere's law in three dimensions is also described. Finally, the convergence of the code is illustrated for a particular stellarator equilibrium with no large islands

Characterization of BPM pickup designs for the HESR rate at FAIR using simulations and numerical calculations

Energy Technology Data Exchange (ETDEWEB)

Halama, Arthur; Kamerdzhiev, Vsevolod; Boehme, Christian; Srinivasan, Sudharsan [Forschungszentrum Juelich, IKP-4 (Germany)

2016-07-01

The institute of Nuclear Physics 4(IKP-4) of the Research Center Juelich (FZJ) is in charge of building and commissioning the High Energy Storage Ring (HESR) within the international Facility for Antiproton and Ion Research (FAIR) at Darmstadt. Simulations and numerical calculations were performed to characterize the initial beam position pickup design. Capacitive couplings of the electrodes and the behavior of the electrical equivalent circuit were investigated. This made room for changes to the design and performance increase. A prototype of the BPM pickup was constructed and tested on a dedicated test bench. Preliminary results will be presented. In order to gain higher signal levels and higher sensitivity, another suggested design was characterized as well and put into comparison.

Spray Evaporation in Turbulent Flow: Numerical Calculations and Detailed Experiments by Phase-Doppler Anemometry Évaporation de brouillard en flux turbulent : calculs numériques et expériences détaillées par anémometrie de phase-Doppler

Directory of Open Access Journals (Sweden)

Sommerfeld M.

2006-11-01

Full Text Available The present paper concerns experiments and numerical calculations of an isopropyl-alcohol spray evaporating in a co-flowing turbulent heated air flow. The measurements provided detailed inlet and boundary conditions for the numerical calculations and allowed the validation of the numerical method and models. Phase-Doppler anemometry was used in order to obtain the spatial change of the droplet size distribution and the correlation between droplet size and velocity throughout the flow field. Additionally, a reliable method based on the detection of the signal amplitudes was applied to determine the droplet mass flux. By integration of the droplet mass flux profiles, the global evaporation rates could be determined for different flow conditions. Numerical calculations of the evaporating spray were performed by the Eulerian / Lagrangian approach. The modelling of droplet evaporation is briefly reviewed prior to the description of the applied numerical models and methods. Calculations for a single phase flow showed good agreement with the experiments. Also for all of the droplet phase properties reasonable agreement with the experiments could be achieved and the global evaporation rates agreed well with the measurements. Cet article expose en détail les expériences et les calculs concernant l'évaporation d'isopropanol pulvérisé dans un flux d'air chaud turbulent. Les mesures ont fourni le détail des conditions initiales et des conditions limites pour les calculs numériques ; elles ont également permis de valider la méthode et le modèle. L'anémométrie de phase-Doppler a permis de définir la modification spatiale de la distribution des dimensions de gouttelettes ainsi que la corrélation entre dimension et vitesse des gouttelettes, dans l'ensemble du champ d'écoulement. De plus, une méthode fiable fondée sur la détection des amplitudes de signal a été appliquée afin de déterminer le débit massique des gouttelettes. L

Numerical fluid flow and heat transfer calculations on multiprocessor systems

Energy Technology Data Exchange (ETDEWEB)

Oehman, G.A.; Malen, T.E.; Kuusela, P.

1989-01-01

The first part of the report presents the basic principles of parallel processing, and factors influencing tbe efficiency of practical applications are discussed. In a multiprocessor computer, different parts of the program code are executed in parallel, i.e. simultaneous with respect to time, on different processors, and thus it becomes possible to decrease the overall computation time by a factor, which in the ideal case is equal to the number of processors. The application study starts from the numerical solution of the twodimesional Laplace equation, which describes the steady heat conduction in a solid plate and advances through the solution of the three dimensional Laplace equation to the case of study laminar fluid flow in a twodimensional box at Reynolds numbers up to 20. Hereby the stream function-vorticity method is first applied and the SIMPLER method. The conventional (sequential) numerical algoritms for these fluid flow and heat transfer problems are found not to be ideally suited for conversion to parallel computation, but sped-up ratios considerably above 50 % of the theoretical maximum are regularly achieved in the runs. The numerical procedures we coded in the OCCAM-2 language and the test runs were performed at who Akademi on the imperimental HATHI-computers containing 16 T4l4 and 100 INMOS T800 transputers respectively.

Numerical fluid flow and heat transfer calculations on multiprocessor systems

Energy Technology Data Exchange (ETDEWEB)

Oehman, G.A.; Malen, T.E.; Kuusela, P.

1989-12-31

The first part of the report presents the basic principles of parallel processing, and factors influencing tbe efficiency of practical applications are discussed. In a multiprocessor computer, different parts of the program code are executed in parallel, i.e. simultaneous with respect to time, on different processors, and thus it becomes possible to decrease the overall computation time by a factor, which in the ideal case is equal to the number of processors. The application study starts from the numerical solution of the twodimesional Laplace equation, which describes the steady heat conduction in a solid plate and advances through the solution of the three dimensional Laplace equation to the case of study laminar fluid flow in a twodimensional box at Reynolds numbers up to 20. Hereby the stream function-vorticity method is first applied and the SIMPLER method. The conventional (sequential) numerical algoritms for these fluid flow and heat transfer problems are found not to be ideally suited for conversion to parallel computation, but sped-up ratios considerably above 50 % of the theoretical maximum are regularly achieved in the runs. The numerical procedures we coded in the OCCAM-2 language and the test runs were performed at who Akademi on the imperimental HATHI-computers containing 16 T4l4 and 100 INMOS T800 transputers respectively.

Numerical calculation of the main variables of the laminar flow around a circunferential square obstacle at the wall of a circular pipe

International Nuclear Information System (INIS)

Nogueira, A.C.R.

1981-10-01

The numerical calculation of the main variables of the laminar, incompressible, axissimmetric, steady flow around a circunferential square obstacle placed at the wall of a circular pipe, is done. The velocity profiles, the separating length and the shape of the separating streamline are compared with experimental available data and a good agreement is achieved. (E.G.) [pt

The numerical calculation of hydrological processes in the coastal zone of the Black Sea region in the city of Poti

Science.gov (United States)

Saghinadze, Ivane; Pkhakadze, Manana

2016-04-01

(The article was published with support of the Sh. Rustaveli National Science Foundation) The serious environmental problems started in Poti after transfer of the main flow of the river Rioni to the north. As a result the flooding of the city stopped, but the reduction of water consumption in the city channel, caused a decrease of the sediments carried away by the river, what leads to coastal erosion. The coast changes are connected with the movement of the waves and currents in the coastal part of the sea. In the paper, the three-dimensional mathematical model of sediment transport and coastal zone lithodynamics is developed. The finite element formulations for the problems of wave modes, coastal currents, sediment transport and evolution of the coastal zone of the sea, are given. The numerical algorithms, implemented in the form of software. Programs are allowing to bring the solutions of the tasks to numerical results. The numerical modeling was developed in three stages. In the first stage the topography of the coast and the initial geometry of the structures are considered as an input parameters. Then, coastal wave field is calculated for the conditions prescribed in the initial wave. In the second stage, the calculated wave field is used to estimate the spatial distribution of the radiation stresses near-bottom orbital velocity. In the third stage the coastal wave fields and flow fields are used in the sub-models of sediment transport and changes in the topography of the coast. In the numerical solution of basic equations of motion of the waves, coastal currents and changes in sea bottom topography we use: finite element, finite difference methods and the method of upper relaxation, Crank-Nicolson scheme. As an example, we are giving the results of research of the wave regime in the coastal area of the city of Poti (700X600m) adjacent to the port of Poti. The bottom profile, in this area is rather complicated. During the calculations of the average rise of

Velocity field calculation for non-orthogonal numerical grids

Energy Technology Data Exchange (ETDEWEB)

Flach, G. P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2015-03-01

Computational grids containing cell faces that do not align with an orthogonal (e.g. Cartesian, cylindrical) coordinate system are routinely encountered in porous-medium numerical simulations. Such grids are referred to in this study as non-orthogonal grids because some cell faces are not orthogonal to a coordinate system plane (e.g. xy, yz or xz plane in Cartesian coordinates). Non-orthogonal grids are routinely encountered at the Savannah River Site in porous-medium flow simulations for Performance Assessments and groundwater flow modeling. Examples include grid lines that conform to the sloping roof of a waste tank or disposal unit in a 2D Performance Assessment simulation, and grid surfaces that conform to undulating stratigraphic surfaces in a 3D groundwater flow model. Particle tracking is routinely performed after a porous-medium numerical flow simulation to better understand the dynamics of the flow field and/or as an approximate indication of the trajectory and timing of advective solute transport. Particle tracks are computed by integrating the velocity field from cell to cell starting from designated seed (starting) positions. An accurate velocity field is required to attain accurate particle tracks. However, many numerical simulation codes report only the volumetric flowrate (e.g. PORFLOW) and/or flux (flowrate divided by area) crossing cell faces. For an orthogonal grid, the normal flux at a cell face is a component of the Darcy velocity vector in the coordinate system, and the pore velocity for particle tracking is attained by dividing by water content. For a non-orthogonal grid, the flux normal to a cell face that lies outside a coordinate plane is not a true component of velocity with respect to the coordinate system. Nonetheless, normal fluxes are often taken as Darcy velocity components, either naively or with accepted approximation. To enable accurate particle tracking or otherwise present an accurate depiction of the velocity field for a non

Numerical Simulation for Mechanism of Airway Narrowing in Asthma

Science.gov (United States)

Bando, Kiyoshi; Yamashita, Daisuke; Ohba, Kenkichi

A calculation model is proposed to examine the generation mechanism of the numerous lobes on the inner-wall of the airway in asthmatic patients and to clarify luminal occlusion of the airway inducing breathing difficulties. The basement membrane in the airway wall is modeled as a two-dimensional thin-walled shell having inertia force due to the mass, and the smooth muscle contraction effect is replaced by uniform transmural pressure applied to the basement membrane. A dynamic explicit finite element method is used as a numerical simulation method. To examine the validity of the present model, simulation of an asthma attack is performed. The number of lobes generated in the basement membrane increases when transmural pressure is applied in a shorter time period. When the remodeling of the basement membrane occurs characterized by thickening and hardening, it is demonstrated that the number of lobes decreases and the narrowing of the airway lumen becomes severe. Comparison of the results calculated by the present model with those measured for animal experiments of asthma will be possible.

Investigation of CFD calculation method of a centrifugal pump with unshrouded impeller

Science.gov (United States)

Wu, Dazhuan; Yang, Shuai; Xu, Binjie; Liu, Qiaoling; Wu, Peng; Wang, Leqin

2014-03-01

Currently, relatively large errors are found in numerical results in some low-specific-speed centrifugal pumps with unshrouded impeller because the effect of clearances and holes are not accurately modeled. Establishing an accurate analytical model to improve performance prediction accuracy is therefore necessary. In this paper, a three-dimensional numerical simulation is conducted to predict the performance of a low-specific-speed centrifugal pump, and the modeling, numerical scheme, and turbulent selection methods are discussed. The pump performance is tested in a model pump test bench, and flow rate, head, power and efficiency of the pump are obtained. The effect of taking into consideration the back-out vane passage, clearance, and balance holes is analyzed by comparing it with experimental results, and the performance prediction methods are validated by experiments. The analysis results show that the pump performance can be accurately predicted by the improved method. Ignoring the back-out vane passage in the calculation model of unshrouded impeller is found to generate better numerical results. Further, the calculation model with the clearances and balance holes can obviously enhance the numerical accuracy. The application of disconnect interface can reduce meshing difficulty but increase the calculation error at the off-design operating point at the same time. Compared with the standard k-ɛ, renormalization group k-ɛ, and Spalart-Allmars models, the Realizable k-ɛ model demonstrates the fastest convergent speed and the highest precision for the unshrouded impeller flow simulation. The proposed modeling and numerical simulation methods can improve the performance prediction accuracy of the low-specific-speed centrifugal pumps, and the modeling method is especially suitable for the centrifugal pump with unshrouded impeller.

Using a CBL Unit, a Temperature Sensor, and a Graphing Calculator to Model the Kinetics of Consecutive First-Order Reactions as Safe In-Class Demonstrations

Science.gov (United States)

Moore-Russo, Deborah A.; Cortes-Figueroa, Jose E.; Schuman, Michael J.

2006-01-01

The use of Calculator-Based Laboratory (CBL) technology, the graphing calculator, and the cooling and heating of water to model the behavior of consecutive first-order reactions is presented, where B is the reactant, I is the intermediate, and P is the product for an in-class demonstration. The activity demonstrates the spontaneous and consecutive…

Quantum mechanical calculations of vibrational population inversion in chemical reactions - Numerically exact L-squared-amplitude-density study of the H2Br reactive system

Science.gov (United States)

Zhang, Y. C.; Zhang, J. Z. H.; Kouri, D. J.; Haug, K.; Schwenke, D. W.

1988-01-01

Numerically exact, fully three-dimensional quantum mechanicl reactive scattering calculations are reported for the H2Br system. Both the exchange (H + H-prime Br to H-prime + HBr) and abstraction (H + HBR to H2 + Br) reaction channels are included in the calculations. The present results are the first completely converged three-dimensional quantum calculations for a system involving a highly exoergic reaction channel (the abstraction process). It is found that the production of vibrationally hot H2 in the abstraction reaction, and hence the extent of population inversion in the products, is a sensitive function of initial HBr rotational state and collision energy.

Rayleigh-Benard convection in a Hele-Shaw cell - a numerical study

International Nuclear Information System (INIS)

Guenther, C.; Mueller, U.

1987-05-01

Free convection in narrow vertical gaps heated from below gives rise to several different flow patterns as has been demonstrated by previous experimental investigations. A numerical study is presented aimed at simulating the observed flow phenomena in Hele-Shaw cells of small lateral extend. The numerical study is based on the assumption that the flow is essentially two-dimensional. This allows an approach using a one-term Galerkin approximation with respect to the direction perpendicular to the gap and a finite difference scheme with regard to the coordinates in the plane of the gap. The calculations result in realistic values of the critical Rayleigh numbers for the onset of steady and oscillatory convection. Most of the observed unsteady flow patterns can be simulated numerically. It is shown that five different stable flow patterns can occur at one particular Rayleigh number. The different stable flow patterns are coupled by a variety of complex transitions. Moreover the calculations show that a realistic description of the observed flow phenomena can not be obtained by a simplified model using the Darcy law in the momentum equation and implying slip flow at the small confining boundaries. (orig.) [de

Influence of delayed neutron parameter calculation accuracy on results of modeled WWER scram experiments

International Nuclear Information System (INIS)

Artemov, V.G.; Gusev, V.I.; Zinatullin, R.E.; Karpov, A.S.

2007-01-01

Using modeled WWER cram rod drop experiments, performed at the Rostov NPP, as an example, the influence of delayed neutron parameters on the modeling results was investigated. The delayed neutron parameter values were taken from both domestic and foreign nuclear databases. Numerical modeling was carried out on the basis of SAPFIR 9 5andWWERrogram package. Parameters of delayed neutrons were acquired from ENDF/B-VI and BNAB-78 validated data files. It was demonstrated that using delay fraction data from different databases in reactivity meters led to significantly different reactivity results. Based on the results of numerically modeled experiments, delayed neutron parameters providing the best agreement between calculated and measured data were selected and recommended for use in reactor calculations (Authors)

Numerical calculation of three-dimensional flow field of servo-piston hydraulic control rod driving mechanism

International Nuclear Information System (INIS)

Yu Mingrui; Han Weishi; Wang Ge

2014-01-01

Servo-piston hydraulic control rod driving mechanism is a new type built-in driving mechanism which is suitable for integrated reactor and it can be moved continuously. The numerical calculation and analysis of the internal three-dimensional flow field inside the driving mechanism were carried out by the computational fluid dynamics software FLUENT. The result shows that the unique pressure mutation area of flow field inside the driving mechanism is at the place of the servo variable throttle orifice. The differential pressure of the piston can be effectively controlled by changing the gap of variable throttle orifice. When the gap changes within 0.5 mm, the differential pressure can be greatly changed, and then the driving mechanism motion state would be changed too. When the working pressure is 0.1 MPa, the hoisting capacity of the driving mechanism can meet the design requirements, and the flow rate is small. (authors)

Numerical Calculation of the Peaking Factor of a Water-Cooled W/Cu Monoblock for a Divertor

International Nuclear Information System (INIS)

Han Le; Chang Haiping; Zhang Jingyang; Xu Tiejun

2015-01-01

In order to accurately predict the incident critical heat flux (ICHF, the heat flux at the heated surface when CHF occurs) of a water-cooled W/Cu monoblock for a divertor, the exact knowledge of its peaking factors (f p ) under one-sided heating conditions with different design parameters is a key issue. In this paper, the heat conduction in the solid domain of a water-cooled W/Cu monoblock is calculated numerically by assuming the local heat transfer coefficients (HTC) of the cooling wall to be functions of the local wall temperature, so as to obtain f p . The reliability of the calculation method is validated by an experimental example result, with the maximum error of 2.1% only. The effects of geometric and flow parameters on the f p of a water-cooled W/Cu monoblock are investigated. Within the scope of this study, it is shown that the f p increases with increasing dimensionless W/Cu monoblock width and armour thickness (the shortest distance between the heated surface and Cu layer), and the maximum increases are 43.8% and 22.4% respectively. The dimensionless W/Cu monoblock height and Cu thickness have little effect on f p . The increase of Reynolds number and Jakob number causes the increase of f p , and the maximum increases are 6.8% and 9.6% respectively. Based on the calculated results, an empirical correlation on peaking factor is obtained via regression. These results provide a valuable reference for the thermal-hydraulic design of water-cooled divertors. (paper)

Numerical demonstration of neuromorphic computing with photonic crystal cavities.

Science.gov (United States)

Laporte, Floris; Katumba, Andrew; Dambre, Joni; Bienstman, Peter

2018-04-02

We propose a new design for a passive photonic reservoir computer on a silicon photonics chip which can be used in the context of optical communication applications, and study it through detailed numerical simulations. The design consists of a photonic crystal cavity with a quarter-stadium shape, which is known to foster interesting mixing dynamics. These mixing properties turn out to be very useful for memory-dependent optical signal processing tasks, such as header recognition. The proposed, ultra-compact photonic crystal cavity exhibits a memory of up to 6 bits, while simultaneously accepting bitrates in a wide region of operation. Moreover, because of the inherent low losses in a high-Q photonic crystal cavity, the proposed design is very power efficient.

Numerical groundwater flow calculations at the Finnsjoen site

International Nuclear Information System (INIS)

Lindbom, B.; Boghammar, A.; Lindberg, H.; Bjelkaas, J.

1991-02-01

The Swedish Nuclear Fuel and Waste Management Company (SKB) has initiated a research project called SKB 91, which is related to performance assessment of repositories for high level waste from nuclear power plants. Specifically the Finnsjoen site is of concern. As part of this research project, the report describes groundwater flow calculations at the Finnsjoen site, located in northern Uppland, approximately 150 km north of Stockholm. The calculations have been performed with the finite element method applying the porous media approach. The project comprises three steps, the first of which is concerned with the presence of salt below a hydraulically significant structure. This step was modelled in two dimensions in a semi-generic fashion, while the two following steps comprised three-dimensional modelling of the site at a semi-regional and a local scale. The semi-regional model covered approximately 43 square km while the area of the local model was roughly 6.6 square km. The semi-regional model included well expressed regional fracture zones that were explicitly modelled in deterministic manner. The modelling was performed with the finite element code NAMMU, used together with the program-package HYPAC. The latter was used for pre- and postprocessing purposes. The modelling was performed with 8-noded brick elements for the three-dimensional calculations, and the two-dimensional model involved the use of 8-noded rectangular elements. The present report is a revised version of a report previously published as a working report. The difference between the present report and the previous one, is that the present report describes the conclusions more site-specifically, the presentation of a number of the cases tackled has been pruned down, some editorial effort has been put into having the volume of the report reduced, and finally the summary has been edited and cut down. (authors)

Calculation of 14 MeV neutron transmission

International Nuclear Information System (INIS)

Vyrskij, M.Yu.; Dubinin, A.A.; Zhuravlev, V.I.; Isaev, N.V.; Klintsov, A.A.; Krivtsov, A.S.; Linge, I.I.; Panfilov, E.I.; Prit'mov, A.P.

1979-01-01

The possibility of using the 28 group constant system (28-GCS) for calculating the transport of neutrons with initial energy of 14 MeV in thermonuclear reactor blankets is studied. A blanket project suggested by the Oak Ridge National Laboratory is used as a test version to estimate applicability of the 28-GCS. Niobium is used in a blanket as a structural material. A mixture of lithium nuclides is used for tritium production. The results of blanket test calculation and the calculational results obtained using the 28-GCS from the UKNDL library are compared. The numerical 28-group calculation of blonket is carried out by means of the ROZ-6 and ROZ-9 codes but not by the Monte-Carlo method as compared with the test calculation. Time of the blanket calculation on the BESM-6 computer by means of the ROZ-9 code in 2P 5 approximation using the 28-GCS amounts to 10 min. It is noted that to create effective codes for the numerical blanket calculation different calculational grids are necessary for different energy grups. The calculations carried out have shown the possibility of using the 28-group library of cross sections for the numerical solution of the neutron transport equation in estimating analysis of blankets

fp shell spectroscopy: numerical calculations and theoretical aspects

International Nuclear Information System (INIS)

Pasquini, E.A.

1976-01-01

The fp shell spectroscopy is reviewed and the fsup(n) model is introduced. It is shown that the two-body Hamiltonian monopolar terms play a very important part in the behavior of these spectra, and that realistic interactions do not reproduce them. The detailed study of the following nuclei was undertaken: 47 Ca, 48 Ca, 49 Ca, 56 Ni, 48 Sc, 50 Sc, 50 Ti, 46 Ti, 50 Cr, 47 V and 49 Cr. It is shown that very precise values of the few parameters defining the monopolar contributions could be extracted from the comparison between calculations and experimental data. The study of the binding energies of all the nuclei from 40 Ca to 56 Ni shows that it is necessary to introduce three-body forces. The results also reveal the effect of nondiagonal multipoles which are well reproduced by realistic interactions. A better understanding of the electromagnetic behavior of the fsup(n) nuclei of their conjugaison properties and of the relation between 42 Sc and 48 Sc was obtained. Several calculations of two-body transfer amplitudes were proposed [fr

Physical models, cross sections, and numerical approximations used in MCNP and GEANT4 Monte Carlo codes for photon and electron absorbed fraction calculation.

Science.gov (United States)

Yoriyaz, Hélio; Moralles, Maurício; Siqueira, Paulo de Tarso Dalledone; Guimarães, Carla da Costa; Cintra, Felipe Belonsi; dos Santos, Adimir

2009-11-01

Radiopharmaceutical applications in nuclear medicine require a detailed dosimetry estimate of the radiation energy delivered to the human tissues. Over the past years, several publications addressed the problem of internal dose estimate in volumes of several sizes considering photon and electron sources. Most of them used Monte Carlo radiation transport codes. Despite the widespread use of these codes due to the variety of resources and potentials they offered to carry out dose calculations, several aspects like physical models, cross sections, and numerical approximations used in the simulations still remain an object of study. Accurate dose estimate depends on the correct selection of a set of simulation options that should be carefully chosen. This article presents an analysis of several simulation options provided by two of the most used codes worldwide: MCNP and GEANT4. For this purpose, comparisons of absorbed fraction estimates obtained with different physical models, cross sections, and numerical approximations are presented for spheres of several sizes and composed as five different biological tissues. Considerable discrepancies have been found in some cases not only between the different codes but also between different cross sections and algorithms in the same code. Maximum differences found between the two codes are 5.0% and 10%, respectively, for photons and electrons. Even for simple problems as spheres and uniform radiation sources, the set of parameters chosen by any Monte Carlo code significantly affects the final results of a simulation, demonstrating the importance of the correct choice of parameters in the simulation.

3D conformal MRI-controlled transurethral ultrasound prostate therapy: validation of numerical simulations and demonstration in tissue-mimicking gel phantoms.

Science.gov (United States)

Burtnyk, Mathieu; N'Djin, William Apoutou; Kobelevskiy, Ilya; Bronskill, Michael; Chopra, Rajiv

2010-11-21

MRI-controlled transurethral ultrasound therapy uses a linear array of transducer elements and active temperature feedback to create volumes of thermal coagulation shaped to predefined prostate geometries in 3D. The specific aims of this work were to demonstrate the accuracy and repeatability of producing large volumes of thermal coagulation (>10 cc) that conform to 3D human prostate shapes in a tissue-mimicking gel phantom, and to evaluate quantitatively the accuracy with which numerical simulations predict these 3D heating volumes under carefully controlled conditions. Eleven conformal 3D experiments were performed in a tissue-mimicking phantom within a 1.5T MR imager to obtain non-invasive temperature measurements during heating. Temperature feedback was used to control the rotation rate and ultrasound power of transurethral devices with up to five 3.5 × 5 mm active transducer elements. Heating patterns shaped to human prostate geometries were generated using devices operating at 4.7 or 8.0 MHz with surface acoustic intensities of up to 10 W cm(-2). Simulations were informed by transducer surface velocity measurements acquired with a scanning laser vibrometer enabling improved calculations of the acoustic pressure distribution in a gel phantom. Temperature dynamics were determined according to a FDTD solution to Pennes' BHTE. The 3D heating patterns produced in vitro were shaped very accurately to the prostate target volumes, within the spatial resolution of the MRI thermometry images. The volume of the treatment difference falling outside ± 1 mm of the target boundary was, on average, 0.21 cc or 1.5% of the prostate volume. The numerical simulations predicted the extent and shape of the coagulation boundary produced in gel to within (mean ± stdev [min, max]): 0.5 ± 0.4 [-1.0, 2.1] and -0.05 ± 0.4 [-1.2, 1.4] mm for the treatments at 4.7 and 8.0 MHz, respectively. The temperatures across all MRI thermometry images were predicted within -0.3 ± 1.6 °C and 0

Numerical integration for ab initio many-electron self energy calculations within the GW approximation

Energy Technology Data Exchange (ETDEWEB)

Liu, Fang, E-mail: fliu@lsec.cc.ac.cn [School of Statistics and Mathematics, Central University of Finance and Economics, Beijing 100081 (China); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Vigil-Fowler, Derek, E-mail: vigil@berkeley.edu [Department of Physics, University of California, Berkeley, CA 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lischner, Johannes, E-mail: jlischner597@gmail.com [Department of Physics, University of California, Berkeley, CA 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kemper, Alexander F., E-mail: afkemper@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Sharifzadeh, Sahar, E-mail: ssharifz@bu.edu [Department of Electrical and Computer Engineering and Division of Materials Science and Engineering, Boston University, Boston, MA 02215 (United States); Jornada, Felipe H. da, E-mail: jornada@berkeley.edu [Department of Physics, University of California, Berkeley, CA 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Deslippe, Jack, E-mail: jdeslippe@lbl.gov [NERSC, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); and others

2015-04-01

We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in Green's function first, replaces the numerator of the integrand with a piecewise polynomial approximation, and performs principal value integration on subintervals analytically. We give the error bound of our numerical integration scheme and show by numerical examples that it is more reliable and accurate than the standard quadrature rules such as the composite trapezoidal rule. We also discuss the benefit of using different self energy expressions to perform the numerical convolution at different frequencies.

VALIDATION OF NUMERICAL METHODS TO CALCULATE BYPASS FLOW IN A PRISMATIC GAS-COOLED REACTOR CORE

Directory of Open Access Journals (Sweden)

NAM-IL TAK

2013-11-01

Full Text Available For thermo-fluid and safety analyses of a High Temperature Gas-cooled Reactor (HTGR, intensive efforts are in progress in the developments of the GAMMA+ code of Korea Atomic Energy Research Institute (KAERI and the AGREE code of the University of Michigan (U of M. One of the important requirements for GAMMA+ and AGREE is an accurate modeling capability of a bypass flow in a prismatic core. Recently, a series of air experiments were performed at Seoul National University (SNU in order to understand bypass flow behavior and generate an experimental database for the validation of computer codes. The main objective of the present work is to validate the GAMMA+ and AGREE codes using the experimental data published by SNU. The numerical results of the two codes were compared with the measured data. A good agreement was found between the calculations and the measurement. It was concluded that GAMMA+ and AGREE can reliably simulate the bypass flow behavior in a prismatic core.

Numerical algorithm for laser treatment of powder layer with variable thickness

Science.gov (United States)

Soboleva, Polina; Knyazeva, Anna

2017-12-01

Two-dimensional model of laser treatment of powder layer on the substrate is proposed in this paper. The model takes into account the shrinkage of powder layer due to the laser treatment. Three simplified variants of the model were studied. Firstly, the influence of optical properties of powder layer on the maximal temperature was researched. Secondly, two-dimensional model for given thickness of powder layer was studied where practically uniform temperature distribution across thin powder layer was demonstrated. Then, the numerical algorithm was developed to calculate the temperature field for the area of variable size. The impact of the optical properties of powder material on the character of the temperature distribution was researched numerically.

NUMERICAL DETERMINATION OF HORIZONTAL SETTLERS PERFORMANCE

Directory of Open Access Journals (Sweden)

M. M. Biliaiev

2015-08-01

Full Text Available Purpose.Horizontal settlers are one of the most important elements in the technological scheme of water purification. Their use is associated with the possibility to pass a sufficiently large volume of water. The important task at the stage of their designing is evaluating of their effectiveness. Calculation of the efficiency of the settler can be made by mathematical modeling. Empirical, analytical models and techniques that are currently used to solve the problem, do not allow to take into account the shape of the sump and various design features that significantly affects the loyalty to a decision on the choice of the size of the settling tank and its design features. The use of analytical models is limited only to one-dimensional solutions, does not allow accounting for nonuniform velocity field of the flow in the settler. The use of advanced turbulence models for the calculation of the hydrodynamics in the settler complex forms now requires very powerful computers. In addition, the calculation of one variant of the settler may last for dozens of hours. The aim of the paper is to build a numerical model to evaluate the effectiveness of horizontal settling tank modified design. Methodology. Numerical models are based on: 1 equation of potential flow; 2 equation of inviscid fluid vortex flow; 3 equation of viscous fluid dynamics; 4 mass transfer equation. For numerical simulation the finite difference schemes are used. The numerical calculation is carried out on a rectangular grid. For the formation of the computational domain markers are used. Findings.The models allow calculating the clarification process in the settler with different form and different configuration of baffles. Originality. A new approach to investigate the mass transfer process in horizontal settler was proposed. This approach is based on the developed CFD models. Three fluid dynamics models were used for the numerical investigation of flows and waste waters purification

Isochronous Cyclotron Closed Equilibrium Orbit Calculation Program Description

CERN Document Server

Kian, I N; Tarashkevich, R

2003-01-01

The Equilibrium Orbit Research Program - EORP, written in C++ with the use of Visual C++ is described. The program is intended for the calculation of the particle rotation frequency and particle kinetic energy in the closed equilibrium orbits of an isochronous cyclotron, where the closed equilibrium orbits are described through the radius and particle momentum angle: r_{eo}(\\theta) and \\varphi_{p}(\\theta). The program algorithm was developed on the basis of articles, lecture notes and original analytic calculations. The results of calculations by the EORP were checked and confirmed by using the results of calculations by the numerical methods. The discrepancies between the EORP results and the numerical method results for the calculations of the particle rotation frequency and particle kinetic energy are within the limits of \\pm1\\cdot10^{-4}. The EORP results and the numerical method results for the calculations of r_{eo}(\\theta) and \\varphi_{p}(\\theta) practically coincide. All this proves the accuracy of ca...

Parallel computer calculation of quantum spin lattices; Calcul de chaines de spins quantiques sur ordinateur parallele

Energy Technology Data Exchange (ETDEWEB)

Lamarcq, J. [Service de Physique Theorique, CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France)

1998-07-10

Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane`s conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation 14 refs., 6 figs.

Microstructure-based numerical modeling method for effective permittivity of ceramic/polymer composites

Science.gov (United States)

Jylhä, Liisi; Honkamo, Johanna; Jantunen, Heli; Sihvola, Ari

2005-05-01

Effective permittivity was modeled and measured for composites that consist of up to 35vol% of titanium dioxide powder dispersed in a continuous epoxy matrix. The study demonstrates a method that enables fast and accurate numerical modeling of the effective permittivity values of ceramic/polymer composites. The model requires electrostatic Monte Carlo simulations, where randomly oriented homogeneous prism-shaped inclusions occupy random positions in the background phase. The computation cost of solving the electrostatic problem by a finite-element code is decreased by the use of an averaging method where the same simulated sample is solved three times with orthogonal field directions. This helps to minimize the artificial anisotropy that results from the pseudorandomness inherent in the limited computational domains. All the required parameters for numerical simulations are calculated from the lattice structure of titanium dioxide. The results show a very good agreement between the measured and numerically calculated effective permittivities. When the prisms are approximated by oblate spheroids with the corresponding axial ratio, a fairly good prediction for the effective permittivity of the mixture can be achieved with the use of an advanced analytical mixing formula.

Isochronous cyclotron closed equilibrium orbit calculation program description

International Nuclear Information System (INIS)

Kiyan, I.N.; Vorozhtsov, S.B.; Tarashkevich, R.

2003-01-01

The Equilibrium Orbit Research Program - EORP, written in C++ with the use of Visual C++ is described. The program is intended for the calculation of the particle rotation frequency and particle kinetic energy in the closed equilibrium orbits of an isochronous cyclotron, where the closed equilibrium orbits are described through the radius and particle momentum angle: r eo (θ) and φ p (θ). The program algorithm was developed on the basis of articles, lecture notes and original analytic calculations. The results of calculations by the EORP were checked and confirmed by using the results of calculations by the numerical methods. The discrepancies between the EORP results and the numerical method results for the calculations of the particle rotation frequency and particle kinetic energy are within the limits of ±1·10 -4 . The EORP results and the numerical method results for the calculations of r eo (θ) and φ p (θ) practically coincide. All this proves the accuracy of calculations by the EORP for the isochronous cyclotrons with the azimuthally varied fields. As is evident from the results of calculations, the program can be used for the calculations of both straight - sector and spiral-sector isochronous cyclotrons. (author)

Development of Pelton turbine using numerical simulation

International Nuclear Information System (INIS)

Patel, K; Patel, B; Yadav, M; Foggia, T

2010-01-01

This paper describes recent research and development activities in the field of Pelton turbine design. Flow inside Pelton turbine is most complex due to multiphase (mixture of air and water) and free surface in nature. Numerical calculation is useful to understand flow physics as well as effect of geometry on flow. The optimized design is obtained using in-house special optimization loop. Either single phase or two phase unsteady numerical calculation could be performed. Numerical results are used to visualize the flow pattern in the water passage and to predict performance of Pelton turbine at full load as well as at part load. Model tests are conducted to determine performance of turbine and it shows good agreement with numerically predicted performance.

Development of Pelton turbine using numerical simulation

Energy Technology Data Exchange (ETDEWEB)

Patel, K; Patel, B; Yadav, M [Hydraulic Engineer, ALSTOM Hydro R and D India Ltd., GIDC Maneja, Vadodara - 390 013, Gujarat (India); Foggia, T, E-mail: patel@power.alstom.co [Hydraulic Engineer, Alstom Hydro France, Etablissement de Grenoble, 82, avenue Leon Blum BP 75, 38041 Grenoble Cedex (France)

2010-08-15

This paper describes recent research and development activities in the field of Pelton turbine design. Flow inside Pelton turbine is most complex due to multiphase (mixture of air and water) and free surface in nature. Numerical calculation is useful to understand flow physics as well as effect of geometry on flow. The optimized design is obtained using in-house special optimization loop. Either single phase or two phase unsteady numerical calculation could be performed. Numerical results are used to visualize the flow pattern in the water passage and to predict performance of Pelton turbine at full load as well as at part load. Model tests are conducted to determine performance of turbine and it shows good agreement with numerically predicted performance.

Development of Pelton turbine using numerical simulation

Science.gov (United States)

Patel, K.; Patel, B.; Yadav, M.; Foggia, T.

2010-08-01

This paper describes recent research and development activities in the field of Pelton turbine design. Flow inside Pelton turbine is most complex due to multiphase (mixture of air and water) and free surface in nature. Numerical calculation is useful to understand flow physics as well as effect of geometry on flow. The optimized design is obtained using in-house special optimization loop. Either single phase or two phase unsteady numerical calculation could be performed. Numerical results are used to visualize the flow pattern in the water passage and to predict performance of Pelton turbine at full load as well as at part load. Model tests are conducted to determine performance of turbine and it shows good agreement with numerically predicted performance.

NUMERICAL CALCULATIONS IN GEOMECHANICS APPLICABLE TO LINEAR STRUCTURES

Directory of Open Access Journals (Sweden)

Vlasov Aleksandr Nikolaevich

2012-10-01

Full Text Available The article covers the problem of applicability of finite-element and engineering methods to the development of a model of interaction between pipeline structures and the environment in the complex conditions with a view to the simulation and projection of exogenous geological processes, trustworthy assessment of their impacts on the pipeline, and the testing of varied calculation methodologies. Pipelining in the areas that have a severe continental climate and permafrost soils is accompanied by cryogenic and exogenous processes and developments. It may also involve the development of karst and/or thermokarst. The adverse effect of the natural environment is intensified by the anthropogenic impact produced onto the natural state of the area, causing destruction of forests and other vegetation, changing the ratio of soils in the course of the site planning, changing the conditions that impact the surface and underground waters, and causing the thawing of the bedding in the course of the energy carrier pumping, etc. The aforementioned consequences are not covered by effective regulatory documents. The latter constitute general and incomplete recommendations in this respect. The appropriate mathematical description of physical processes in complex heterogeneous environments is a separate task to be addressed. The failure to consider the above consequences has repeatedly caused both minor damages (denudation of the pipeline, insulation stripping and substantial accidents; the rectification of their consequences was utterly expensive. Pipelining produces a thermal impact on the environment; it may alter the mechanical properties of soils and de-frost the clay. The stress of the pipeline is one of the principal factors that determines its strength and safety. The pipeline stress exposure caused by loads and impacts (self-weight, internal pressure, etc. may be calculated in advance, and the accuracy of these calculations is sufficient for practical

A Numerical Testbed for Remote Sensing of Aerosols, and its Demonstration for Evaluating Retrieval Synergy from a Geostationary Satellite Constellation of GEO-CAPE and GOES-R

Science.gov (United States)

Wang, Jun; Xu, Xiaoguang; Ding, Shouguo; Zeng, Jing; Spurr, Robert; Liu, Xiong; Chance, Kelly; Mishchenko, Michael I.

2014-01-01

We present a numerical testbed for remote sensing of aerosols, together with a demonstration for evaluating retrieval synergy from a geostationary satellite constellation. The testbed combines inverse (optimal-estimation) software with a forward model containing linearized code for computing particle scattering (for both spherical and non-spherical particles), a kernel-based (land and ocean) surface bi-directional reflectance facility, and a linearized radiative transfer model for polarized radiance. Calculation of gas absorption spectra uses the HITRAN (HIgh-resolution TRANsmission molecular absorption) database of spectroscopic line parameters and other trace species cross-sections. The outputs of the testbed include not only the Stokes 4-vector elements and their sensitivities (Jacobians) with respect to the aerosol single scattering and physical parameters (such as size and shape parameters, refractive index, and plume height), but also DFS (Degree of Freedom for Signal) values for retrieval of these parameters. This testbed can be used as a tool to provide an objective assessment of aerosol information content that can be retrieved for any constellation of (planned or real) satellite sensors and for any combination of algorithm design factors (in terms of wavelengths, viewing angles, radiance and/or polarization to be measured or used). We summarize the components of the testbed, including the derivation and validation of analytical formulae for Jacobian calculations. Benchmark calculations from the forward model are documented. In the context of NASA's Decadal Survey Mission GEOCAPE (GEOstationary Coastal and Air Pollution Events), we demonstrate the use of the testbed to conduct a feasibility study of using polarization measurements in and around the O2 A band for the retrieval of aerosol height information from space, as well as an to assess potential improvement in the retrieval of aerosol fine and coarse mode aerosol optical depth (AOD) through the

Numerical calculation of two-phase turbulent jets

Energy Technology Data Exchange (ETDEWEB)

Saif, A.A.

1995-05-01

Two-phase turbulent round jets were numerically simulated using a multidimensional two-phase CFD code based on the two-fluid model. The turbulence phenomena were treated with the standard k-{epsilon} model. It was modified to take into account the additional dissipation of turbulent kinetic energy by the dispersed phase. Within the context of the two-fluid model it is more appropriate and physically justified to treat the diffusion by an interfacial force in the momentum equation. In this work, the diffusion force and the additional dissipation effect by the dispersed phase were modeled starting from the classical turbulent energy spectrum analysis. A cut-off frequency was proposed to decrease the dissipation effect by the dispersed phase when large size particles are introduced in the flow. The cut-off frequency combined with the bubble-induced turbulence effect allows for an increase in turbulence for large particles. Additional care was taken in choosing the right kind of experimental data from the literature so that a good separate effect test was possible for their models. The models predicted the experimental data very closely and they were general enough to predict extreme limit cases: water-bubble and air-droplet jets.

Numerical Transducer Modeling

DEFF Research Database (Denmark)

Henriquez, Vicente Cutanda

This thesis describes the development of a numerical model of the propagation of sound waves in fluids with viscous and thermal losses, with application to the simulation of acoustic transducers, in particular condenser microphones for measurement. The theoretical basis is presented, numerical...... manipulations are developed to satisfy the more complicated boundary conditions, and a model of a condenser microphone with a coupled membrane is developed. The model is tested against measurements of ¼ inch condenser microphones and analytical calculations. A detailed discussion of the results is given....

Analytical and numerical calculations of resistive wall impedances for thin beam pipe structures at low frequencies

Energy Technology Data Exchange (ETDEWEB)

Niedermayer, U., E-mail: u.niedermayer@gsi.de [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstrasse 8, 64289 Darmstadt (Germany); Boine-Frankenheim, O. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstrasse 8, 64289 Darmstadt (Germany)

2012-09-21

The resistive wall impedance is one of the main sources for beam instabilities in synchrotrons and storage rings. The fast ramped SIS18 synchrotron at GSI and the projected SIS100 synchrotron for FAIR both employ thin (0.3 mm) stainless steel beam pipes in order to reduce eddy current effects. The lowest betatron sidebands are at about 100 kHz, which demands accurate impedance predictions in the low frequency (LF) range where the beam pipe and possibly also the structures behind the pipe are the dominating impedance sources. The longitudinal and transverse resistive wall impedances of a circular multi-layer pipe are calculated analytically using the field matching technique. We compare the impedances obtained from a radial wave model, which corresponds to the setup used in bench measurements, with the axial wave model, which corresponds to an actual beam moving with relativistic velocity. For thin beam pipes the induced wall current and the corresponding shielding properties of the pipe are important. In both models the wall current is obtained analytically. The characteristic frequencies for the onset of the wall current are calculated from equivalent lumped element circuits corresponding to the radial model. For more complex structures, like the SIS100 beam pipe, we use a numerical method, in which the impedance is obtained from the total power loss. The method is validated by the analytic expressions for circular beam pipes.

Visualization of strong around motion calculated from the numerical simulation of Hyogo-ken Nanbu earthquake; Suchi simulation de miru Hyogoken nanbu jishin no kyoshindo

Energy Technology Data Exchange (ETDEWEB)

Furumura, T [Hokkaido Univ. of Education, Sapporo (Japan); Koketsu, K [The University of Tokyo, Tokyo (Japan). Earthquake Research Institute

1996-10-01

Hyogo-ken Nanbu earthquake with a focus in the Akashi straits has given huge earthquake damages in and around Awaji Island and Kobe City in 1995. It is clear that the basement structure, which is steeply deepened at Kobe City from Rokko Mountains towards the coast, and the focus under this related closely to the local generation of strong ground motion. Generation process of the strong ground motion was discussed using 2D and 3D numerical simulation methods. The 3D pseudospectral method was used for the calculation. Space of 51.2km{times}25.6km{times}25.6km was selected for the calculation. This space was discretized with the lattice interval of 200m. Consequently, it was found that the basement structure with a steeply deepened basement, soft and weak geological structure thickly deposited on the basement, and earthquake faults running under the boundary of base rock and sediments related greatly to the generation of strong ground motion. Numerical simulation can be expected to predict the strong ground motion by shallow earthquakes. 9 refs., 7 figs.

Calculation of Spectra of Solids:

DEFF Research Database (Denmark)

Lindgård, Per-Anker

1975-01-01

The Gilat-Raubenheimer method simplified to tetrahedron division is used to calculate the real and imaginary part of the dynamical response function for electrons. A frequency expansion for the real part is discussed. The Lindhard function is calculated as a test for numerical accuracy...

Computer programs of information processing of nuclear physical methods as a demonstration material in studying nuclear physics and numerical methods

Science.gov (United States)

Bateev, A. B.; Filippov, V. P.

2017-01-01

The principle possibility of using computer program Univem MS for Mössbauer spectra fitting as a demonstration material at studying such disciplines as atomic and nuclear physics and numerical methods by students is shown in the article. This program is associated with nuclear-physical parameters such as isomer (or chemical) shift of nuclear energy level, interaction of nuclear quadrupole moment with electric field and of magnetic moment with surrounded magnetic field. The basic processing algorithm in such programs is the Least Square Method. The deviation of values of experimental points on spectra from the value of theoretical dependence is defined on concrete examples. This value is characterized in numerical methods as mean square deviation. The shape of theoretical lines in the program is defined by Gaussian and Lorentzian distributions. The visualization of the studied material on atomic and nuclear physics can be improved by similar programs of the Mössbauer spectroscopy, X-ray Fluorescence Analyzer or X-ray diffraction analysis.

Calculation of nonzero-temperature Casimir forces in the time domain

International Nuclear Information System (INIS)

Pan, Kai; Reid, M. T. Homer; McCauley, Alexander P.; Rodriguez, Alejandro W.; White, Jacob K.; Johnson, Steven G.

2011-01-01

We show how to compute Casimir forces at nonzero temperatures with time-domain electromagnetic simulations, for example, using a finite-difference time-domain (FDTD) method. Compared to our previous zero-temperature time-domain method, only a small modification is required, but we explain that some care is required to properly capture the zero-frequency contribution. We validate the method against analytical and numerical frequency-domain calculations, and show a surprising high-temperature disappearance of a nonmonotonic behavior previously demonstrated in a pistonlike geometry.

Numerical Calculation of the Peaking Factor of a Water-Cooled W/Cu Monoblock for a Divertor

Science.gov (United States)

Han, Le; Chang, Haiping; Zhang, Jingyang; Xu, Tiejun

2015-09-01

In order to accurately predict the incident critical heat flux (ICHF, the heat flux at the heated surface when CHF occurs) of a water-cooled W/Cu monoblock for a divertor, the exact knowledge of its peaking factors (fp) under one-sided heating conditions with different design parameters is a key issue. In this paper, the heat conduction in the solid domain of a water-cooled W/Cu monoblock is calculated numerically by assuming the local heat transfer coefficients (HTC) of the cooling wall to be functions of the local wall temperature, so as to obtain fp. The reliability of the calculation method is validated by an experimental example result, with the maximum error of 2.1% only. The effects of geometric and flow parameters on the fp of a water-cooled W/Cu monoblock are investigated. Within the scope of this study, it is shown that the fp increases with increasing dimensionless W/Cu monoblock width and armour thickness (the shortest distance between the heated surface and Cu layer), and the maximum increases are 43.8% and 22.4% respectively. The dimensionless W/Cu monoblock height and Cu thickness have little effect on fp. The increase of Reynolds number and Jakob number causes the increase of fp, and the maximum increases are 6.8% and 9.6% respectively. Based on the calculated results, an empirical correlation on peaking factor is obtained via regression. These results provide a valuable reference for the thermal-hydraulic design of water-cooled divertors. supported by National Magnetic Confinement Fusion Science Program of China (No. 2010GB104005) and Funding of Jiangsu Innovation Program for Graduate Education, China (CXLX12_0170), the Fundamental Research Funds for the Central Universities of China

Development of early numerical abilities of Spanish-speaking Mexican preschoolers: A new assessment tool.

Science.gov (United States)

Beltrán-Navarro, Beatriz; Abreu-Mendoza, Roberto A; Matute, Esmeralda; Rosselli, Monica

2018-01-01

This article presents a tool for assessing the early numerical abilities of Spanish-speaking Mexican preschoolers. The Numerical Abilities Test, from the Evaluación Neuropsicológica Infantil-Preescolar (ENI-P), evaluates four core abilities of number development: magnitude comparison, counting, subitizing, and basic calculation. We evaluated 307 Spanish-speaking Mexican children aged 2 years 6 months to 4 years 11 months. Appropriate internal consistency and test-retest reliability were demonstrated. We also investigated the effect of age, children's school attendance, maternal education, and sex on children's numerical scores. The results showed that the four subtests captured development across ages. Critically, maternal education had an impact on children's performance in three out of the four subtests, but there was no effect associated with children's school attendance or sex. These results suggest that the Numerical Abilities Test is a reliable instrument for Spanish-speaking preschoolers. We discuss the implications of our outcomes for numerical development.

A calculation method for RF couplers design based on numerical simulation by microwave studio

International Nuclear Information System (INIS)

Wang Rong; Pei Yuanji; Jin Kai

2006-01-01

A numerical simulation method for coupler design is proposed. It is based on the matching procedure for the 2π/3 structure given by Dr. R.L. Kyhl. Microwave Studio EigenMode Solver is used for such numerical simulation. the simulation for a coupler has been finished with this method and the simulation data are compared with experimental measurements. The results show that this numerical simulation method is feasible for coupler design. (authors)

Parallel computer calculation of quantum spin lattices

International Nuclear Information System (INIS)

Lamarcq, J.

1998-01-01

Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane's conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation

On the calculation of hydrostatic pressures with SIMMER-II and the problem of connected tubes

International Nuclear Information System (INIS)

Schmuck, P.; Kleinheins, S.

1988-07-01

SIMMER simulations of flows in connected tubes exhibited non-physical movement of liquid under gravity. Analytical expressions are developed to evaluate the reasons for this effect and are used as a basis for proposals to keep the error small in SIMMER calculations. The effectiveness of the proposals is demonstrated by SIMMER code simulations of some numerical examples. (orig.) [de

Numerical Calculation and Exergy Equations of Spray Heat Exchanger Attached to a Main Fan Diffuser

Science.gov (United States)

Cui, H.; Wang, H.; Chen, S.

2015-04-01

In the present study, the energy depreciation rule of spray heat exchanger, which is attached to a main fan diffuser, is analyzed based on the second law of thermodynamics. Firstly, the exergy equations of the exchanger are deduced. The equations are numerically calculated by the fourth-order Runge-Kutta method, and the exergy destruction is quantitatively effected by the exchanger structure parameters, working fluid (polluted air, i.e., PA; sprayed water, i.e., SW) initial state parameters and the ambient reference parameters. The results are showed: (1) heat transfer is given priority to latent transfer at the bottom of the exchanger, and heat transfer of convection and is equivalent to that of condensation in the upper. (2) With the decrease of initial temperature of SW droplet, the decrease of PA velocity or the ambient reference temperature, and with the increase of a SW droplet size or initial PA temperature, exergy destruction both increase. (3) The exergy efficiency of the exchanger is 72.1 %. An approach to analyze the energy potential of the exchanger may be provided for engineering designs.

Note on the numerical calculation of the Fermi-Dirac integrals

International Nuclear Information System (INIS)

Graef, H.; Pabst, M.

1977-11-01

Expansions of the Fermi-Dirac integrals Fsub(α)(x) are developed, suitable for numerical computation. Only integrals of integer- or half-integer order are treated and expansion coefficients are tabulated for F 1 (x),....,F 9 (x); Fsub(-1/2)(x),...,Fsub(7/2)(x). Maximal relative errors vary with the function and interval considered, but are less than 3 x 10 -6 . (orig.) [de

Development of a fuel depletion sensitivity calculation module for multi-cell problems in a deterministic reactor physics code system CBZ

International Nuclear Information System (INIS)

Chiba, Go; Kawamoto, Yosuke; Narabayashi, Tadashi

2016-01-01

Highlights: • A new functionality of fuel depletion sensitivity calculations is developed in a code system CBZ. • This is based on the generalized perturbation theory for fuel depletion problems. • The theory with a multi-layer depletion step division scheme is described. • Numerical techniques employed in actual implementation are also provided. - Abstract: A new functionality of fuel depletion sensitivity calculations is developed as one module in a deterministic reactor physics code system CBZ. This is based on the generalized perturbation theory for fuel depletion problems. The theory for fuel depletion problems with a multi-layer depletion step division scheme is described in detail. Numerical techniques employed in actual implementation are also provided. Verification calculations are carried out for a 3 × 3 multi-cell problem consisting of two different types of fuel pins. It is shown that the sensitivities of nuclide number densities after fuel depletion with respect to the nuclear data calculated by the new module agree well with reference sensitivities calculated by direct numerical differentiation. To demonstrate the usefulness of the new module, fuel depletion sensitivities in different multi-cell arrangements are compared and non-negligible differences are observed. Nuclear data-induced uncertainties of nuclide number densities obtained with the calculated sensitivities are also compared.

Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions.

Science.gov (United States)

Gao, Weiwei; Xia, Weiyi; Gao, Xiang; Zhang, Peihong

2016-11-11

Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful and simple-to-implement method that can drastically accelerate fully converged GW calculations for large systems, enabling fast and accurate quasiparticle calculations for complex materials systems. We demonstrate the performance of this new method by presenting the results for ZnO and MgO supercells. A speed-up factor of nearly two orders of magnitude is achieved for a system containing 256 atoms (1024 valence electrons) with a negligibly small numerical error of ±0.03 eV. Finally, we discuss the application of our method to the GW calculations for 2D materials.

On the mechanics of cerebral aneurysms: experimental research and numerical simulation

Science.gov (United States)

Parshin, D. V.; Kuianova, I. O.; Yunoshev, A. S.; Ovsyannikov, K. S.; Dubovoy, A. V.

2017-10-01

This research extends existing experimental data for CA tissues [1, 2] and presents the preliminary results of numerical calculations. Experiments were performed to measure aneurysm wall stiffness and the data obtained was analyzed. To reconstruct the geometry of the CAs, DICOM images of real patients with aneurysms and ITK Snap [3] were used. In addition, numerical calculations were performed in ANSYS (commercial software, License of Lavrentyev Institute of Hydrodynamics). The results of these numerical calculations show a high level of agreement with experimental data from previous literature.

NUMERICAL AND ANALYTIC METHODS OF ESTIMATION BRIDGES’ CONSTRUCTIONS

Directory of Open Access Journals (Sweden)

Y. Y. Luchko

2010-03-01

Full Text Available In this article the numerical and analytical methods of calculation of the stressed-and-strained state of bridge constructions are considered. The task on increasing of reliability and accuracy of the numerical method and its solution by means of calculations in two bases are formulated. The analytical solution of the differential equation of deformation of a ferro-concrete plate under the action of local loads is also obtained.

Numerical calculation of hydrodynamic characteristics of tidal currents for submarine excavation engineering in coastal area

Directory of Open Access Journals (Sweden)

Jian-hua Li

2016-04-01

Full Text Available In coastal areas with complicated flow movement, deposition and scour readily occur in submarine excavation projects. In this study, a small-scale model, with a high resolution in the vertical direction, was used to simulate the tidal current around a submarine excavation project. The finite volume method was used to solve Navier-Stokes equations and the Reynolds stress transport equation, and the entire process of the tidal current was simulated with unstructured meshes, generated in the irregular shape area, and structured meshes, generated in other water areas. The meshes near the bottom and free surface were densified with a minimum layer thickness of 0.05 m. The volume of fluid method was used to track the free surface, the volume fraction of cells on the upstream boundary was obtained from the volume fraction of adjacent cells, and that on the downstream boundary was determined by the water level process. The numerical results agree with the observed data, and some conclusions can be drawn: after the foundation trench excavation, the flow velocity decreases quite a bit through the foundation trench, with reverse flow occurring on the lee slope in the foundation trench; the swirling flow impedes inflow, leading to the occurrence of dammed water above the foundation trench; the turbulent motion is stronger during ebbing than in other tidal stages, the range with the maximum value of turbulent viscosity, occurring on the south side of the foundation trench at maximum ebbing, is greater than those in other tidal stages in a tidal cycle, and the maximum value of Reynolds shear stress occurs on the south side of the foundation trench at maximum ebbing in a tidal cycle. The numerical calculation method shows a strong performance in simulation of the hydrodynamic characteristics of tidal currents in the foundation trench, providing a basis for submarine engineering construction in coastal areas.

Lattice calculations in gauge theory

International Nuclear Information System (INIS)

Rebbi, C.

1985-01-01

The lattice formulation of quantum gauge theories is discussed as a viable technique for quantitative studies of nonperturbative effects in QCD. Evidence is presented to ascertain that whole classes of lattice actions produce a universal continuum limit. Discrepancies between numerical results from Monto Carlo simulations for the pure gauge system and for the system with gauge and quark fields are discussed. Numerical calculations for QCD require very substantial computational resources. The use of powerful vector processors of special purpose machines, in extending the scope and magnitude or the calculations is considered, and one may reasonably expect that in the near future good quantitative predictions will be obtained for QCD

Numerical simulation of plasma vertical position stabilization in ITER

International Nuclear Information System (INIS)

Astapkovich, A.M.; Sadakov, S.N.

1992-01-01

The paper deals with numerical simulation of plasma vertical position stabilization in ITER. The calculations are performed using EDDY C-2 code by the method of direct numerical simulation of transient electromagnetic processes taking into account the evolution of plasma position, cross-section shape and full plasma current. When simulating free vertical plasma drift in ITER with twin passive stabilization loops, it was shown that account of the effects of cross-section deformation and plasma current alternations results in almost two fold degradation of passive stabilization parameters as compared to the calculations for 'rigid displacement' model. In terms of methodology, the account of the effects of cross section deformation and plasma current alternations requires clarification of the definitions for reverse increment of vertical instability and for stability margin coefficient. The simulation of plasma pinch return to equilibrium position after the closure of control coils allows to assess the required parameters of active control system and demonstrate the effect of screen current reverse in twin loops. The obtained results were used to develop the ITER conceptual design and affected the choice of the concept of twin passive loops and new positron of control coils as the basis approaches. 11 refs.; 12 figs.; 1 tab

Numerical simulation of hypersonic flight experiment vehicle

OpenAIRE

Yamamoto, Yukimitsu; Yoshioka, Minako; 山本　行光; 吉岡　美菜子

1994-01-01

Hypersonic aerodynamic characteristics of Hypersonic FLight EXperiment (HYFLEX vehicle were investigated by numerical simulations using Navier-Stokes CFD (Computational Fluid Dynamics) code of NAL. Numerical results were compared with experimental data obtained at Hypersonic Wind Tunnel at NAL. In order to investigate real flight aerodynamic characteristics. numerical calculations corresponding to the flight conditions suffering from maximum aero thermodynamic heating were also made and the d...

Numerical simulation code for combustion of sodium liquid droplet and its verification

International Nuclear Information System (INIS)

Okano, Yasushi

1997-11-01

The computer programs for sodium leak and burning phenomena had been developed based on mechanistic approach. Direct numerical simulation code for sodium liquid droplet burning had been developed for numerical analysis of droplet combustion in forced convection air flow. Distributions of heat generation and temperature and reaction rate of chemical productions, such as sodium oxide and hydroxide, are calculated and evaluated with using this numerical code. Extended MAC method coupled with a higher-order upwind scheme had been used for combustion simulation of methane-air mixture. In the numerical simulation code for combustion of sodium liquid droplet, chemical reaction model of sodium was connected with the extended MAC method. Combustion of single sodium liquid droplet was simulated in this report for the verification of developed numerical simulation code. The changes of burning rate and reaction product with droplet diameter and inlet wind velocity were investigated. These calculation results were qualitatively and quantitatively conformed to the experimental and calculation observations in combustion engineering. It was confirmed that the numerical simulation code was available for the calculation of sodium liquid droplet burning. (author)

Numerical Calculations of the Effect of Moisture Content and Moisture Flow on Ionic Multi-Species Diffusion in the Pore Solution of Porous Materials

DEFF Research Database (Denmark)

Johannesson, Björn; Hosokawa, Yoshifumi; Yamada, Kazuo

2009-01-01

A method to analyse and calculate concentration profiles of different types of ions in the pore solution of porous materials such as concrete subjected to external wetting and drying is described. The equations in use have a solid theoretical meaning and are derived from a porous media technique......, which is a special branch of the more general mixture theory. The effect of chemical action is ignored making the presented model suitable to be implemented into codes dealing solely with chemical equilibrium. The coupled set of equations for diffusion of ionic species, the internal electrical potential...... of the model should be judged from the assumptions made when developing the balance laws and the constitutive equations and the assumptions made in obtaining a working numerical calculation scheme....

Numerical approach to one-loop integrals

International Nuclear Information System (INIS)

Fujimoto, Junpei; Shimizu, Yoshimitsu; Kato, Kiyoshi; Oyanagi, Yoshio.

1992-01-01

Two numerical methods are proposed for the calculation of one-loop scalar integrals. In the first method, the singularity is cancelled by the symmetrization of the integrand and the integration is done by a Monte-Carlo method. In the second one, after the transform of the integrand into a standard form, the integral is reduced into a regular numerical integral. These methods provide us practical tools to evaluate one-loop Feynman diagrams with desired numerical accuracy. They are extended to the integral with numerator and the treatment of the one-loop virtual correction to the cross section is also presented. (author)

Study on application of green's function method in thermal stress rapid calculation

International Nuclear Information System (INIS)

Zhang Guihe; Duan Yuangang; Xu Xiao; Chen Rong

2013-01-01

This paper presents a quick and accuracy thermal stress calculation method, the Green's Function Method, which is a combination of finite element method and numerical algorithm method. Thermal stress calculation of Safe Injection Nozzle of Reactor Coolant Line of PWR plant is performed with Green's function method for heatup and cooldown thermal transients as a demonstration example, and the result is compared with finite element method to verify the rationality and accuracy of this method. The advantage and disadvantage of the Green's function method and the finite element method are also compared. (authors)

Numerical and experimental analysis of eddy currents induced in tokamak machines

International Nuclear Information System (INIS)

Takahashi, T.; Takahashi, G.; Kazawa, Y.; Suzuki, Y.

1977-01-01

This paper deals with eddy current phenomena in Tokamak machines. A numerical method is presented which will permit eddy currents to be calculated. Examples of numerical results and a discussion of the JT-60 are shown. Calculations are checked by measurements in basic models

Numerical Analysis of Dusty-Gas Flows

Science.gov (United States)

Saito, T.

2002-02-01

This paper presents the development of a numerical code for simulating unsteady dusty-gas flows including shock and rarefaction waves. The numerical results obtained for a shock tube problem are used for validating the accuracy and performance of the code. The code is then extended for simulating two-dimensional problems. Since the interactions between the gas and particle phases are calculated with the operator splitting technique, we can choose numerical schemes independently for the different phases. A semi-analytical method is developed for the dust phase, while the TVD scheme of Harten and Yee is chosen for the gas phase. Throughout this study, computations are carried out on SGI Origin2000, a parallel computer with multiple of RISC based processors. The efficient use of the parallel computer system is an important issue and the code implementation on Origin2000 is also described. Flow profiles of both the gas and solid particles behind the steady shock wave are calculated by integrating the steady conservation equations. The good agreement between the pseudo-stationary solutions and those from the current numerical code validates the numerical approach and the actual coding. The pseudo-stationary shock profiles can also be used as initial conditions of unsteady multidimensional simulations.

Phenomenology and numerical calculations of lean hydrogen-air premixed flame propagation in a turbulent flow

International Nuclear Information System (INIS)

Faix-Gantier, A.

2001-12-01

This thesis concerns the study of flame propagation in a turbulent flow of lean hydrogen-air mixtures. The aim is to precise the characteristics of propagation as well as combustion and turbulence models able to take into account the peculiarities of these mixtures. This research work is related to the prevention of fire hazards associated with accidental release of hydrogen within the reactor of a nuclear power plant. In a first part, the scales (the flame velocity and thickness) associated with the laminar flame propagation in hydrogen-air mixtures are studied. A specific attention is devoted to the intrinsic instability properties of such flames. Then, the turbulence scales potentially present within a reactor are estimated in order to allow for the determination of the regimes of combustion that might be present within the reactor and among which the flamelet regime appears to be conceivable. In a second part, starting with the analysis of the propagation properties of a mean reaction zone calculated with a flamelet model, we show that, with an adequate tuning of the parameter appearing in the mean reaction rate expression, it is possible to predict numerically the turbulent flame speeds available with the literature. (author)

Numerical investigation of finite-volume effects for the HVP

Science.gov (United States)

Boyle, Peter; Gülpers, Vera; Harrison, James; Jüttner, Andreas; Portelli, Antonin; Sachrajda, Christopher

2018-03-01

It is important to correct for finite-volume (FV) effects in the presence of QED, since these effects are typically large due to the long range of the electromagnetic interaction. We recently made the first lattice calculation of electromagnetic corrections to the hadronic vacuum polarisation (HVP). For the HVP, an analytical derivation of FV corrections involves a two-loop calculation which has not yet been carried out. We instead calculate the universal FV corrections numerically, using lattice scalar QED as an effective theory. We show that this method gives agreement with known analytical results for scalar mass FV effects, before applying it to calculate FV corrections for the HVP. This method for numerical calculation of FV effects is also widely applicable to quantities beyond the HVP.

Numerical solution of matrix exponential in burn-up equation using mini-max polynomial approximation

International Nuclear Information System (INIS)

Kawamoto, Yosuke; Chiba, Go; Tsuji, Masashi; Narabayashi, Tadashi

2015-01-01

Highlights: • We propose a new numerical solution of matrix exponential in burn-up depletion calculations. • The depletion calculation with extremely short half-lived nuclides can be done numerically stable with this method. • The computational time is shorter than the other conventional methods. - Abstract: Nuclear fuel burn-up depletion calculations are essential to compute the nuclear fuel composition transition. In the burn-up calculations, the matrix exponential method has been widely used. In the present paper, we propose a new numerical solution of the matrix exponential, a Mini-Max Polynomial Approximation (MMPA) method. This method is numerically stable for burn-up matrices with extremely short half-lived nuclides as the Chebyshev Rational Approximation Method (CRAM), and it has several advantages over CRAM. We also propose a multi-step calculation, a computational time reduction scheme of the MMPA method, which can perform simultaneously burn-up calculations with several time periods. The applicability of these methods has been theoretically and numerically proved for general burn-up matrices. The numerical verification has been performed, and it has been shown that these methods have high precision equivalent to CRAM

Gravitational radiation and 3D numerical relativity

International Nuclear Information System (INIS)

Nakamura, T.

1986-01-01

Study of Numerical Relativity in Kyoto is reviewed. Main topics discussed are 2D rotating collapse, phase cancellation effects and perturbation calculation of the gravitational radiation from a particle falling into a black hole. New numerical results on 3D time evolution of pure gravitational waves are also presented

Numerical and experimental study of a hydrodynamic cavitation tube

Science.gov (United States)

Hu, H.; Finch, J. A.; Zhou, Z.; Xu, Z.

1998-08-01

A numerical analysis of hydrodynamics in a cavitation tube used for activating fine particle flotation is described. Using numerical procedures developed for solving the turbulent k-ɛ model with boundary fitted coordinates, the stream function, vorticity, velocity, and pressure distributions in a cavitation tube were calculated. The calculated pressure distribution was found to be in excellent agreement with experimental results. The requirement of a pressure drop below approximately 10 m water for cavitation to occur was observed experimentally and confirmed by the model. The use of the numerical procedures for cavitation tube design is discussed briefly.

Fast numerical calculations of ion-atom collisions

International Nuclear Information System (INIS)

Reading, J.F.; Ford, A.L.; Becker, R.L.

1979-01-01

When an ion impinges on an atom, the cross sections for electronic transitions can be described in the independent electron model by functions of single electron amplitudes. A single centered expansion of the time-dependent wave function of an electron about the heavier nucleus, with charge Z/sub N/, is shown to be moderately successful in explaining the dependence of K-shell hole production on the charge, Z/sub p/, of the projectile. However, capture of electrons by the projectile is important for a complete understanding and can be incorporated, in principle, in the single-center approach by evaluation of a transition matrix element involving a final state on the projectile. This is not an easy theoretical problem even in an asymmetric (Z/sub p/ much less than Z/sub N/) collision, because long times are involved which aggravate the inadequacies of a coupled-state calculation where the continuum is replaced by a discrete set of pseudostates. Nevertheless a method was devised which allows convergence in the truncated expansion of Hilbert states. Comparisons are made to experiment. Future developments are discussed

Demonstration of the PEC fast reactor scramability in the case of earthquake

International Nuclear Information System (INIS)

Maresca, G.; Mattana, G.; Sabato, C.E.; Castoldi, A.; Franchioni, G.; Zola, M.; Martelli, A.; Parini, A.

1985-01-01

This paper deals with some aspects of the seismic tests carried out by ISMES on a full scale mock-up of the drive mechanism and control rod (shutdown) system of the PEC fast reactor, and the calculations performed by NIRA in order to reproduce the results of these tests, showing the possibility to use the pointed-out model, with only few modifications, to determine the stress level of the mechanism and the scramability of the rod in the reactor. Some comparison between experimental and numerical results are shown, and the scramability of the rod is demonstrated for different seismic motions

Efficient sound barrier calculations with the BEM

DEFF Research Database (Denmark)

Juhl, Peter Møller; Cutanda Henriquez, Vicente

2018-01-01

The Boundary Element Method has been used for calculating the effect of introducing sound barriers for some decades. The method has also been used for optimizing the shape of the barrier and in some cases the effects of introducing sound absorption. However, numerical calculations are still quite...... time consuming and inconvenient to use, which is limiting their use for many practical problems. Moreover, measurements are mostly taken in one-third or full octave bands opposed to the numerical computations at specific frequencies, which then has to be conducted using a fine density in frequencies....... This paper addresses some of the challenges and possible solutions for developing BEM into a more efficient tool for sound barrier calculations....

On numerical Bessel transformation

International Nuclear Information System (INIS)

Sommer, B.; Zabolitzky, J.G.

1979-01-01

The authors present a computer program to calculate the three dimensional Fourier or Bessel transforms and definite integrals with Bessel functions. Numerical integration of systems containing Bessel functions occurs in many physical problems, e.g. electromagnetic form factor of nuclei, all transitions involving multipole expansions at high momenta. Filon's integration rule is extended to spherical Bessel functions. The numerical error is of the order of the Simpson error term of the function which has to be transformed. Thus one gets a stable integral even at large arguments of the transformed function. (Auth.)

On Sums of Numerical Series and Fourier Series

Science.gov (United States)

Pavao, H. Germano; de Oliveira, E. Capelas

2008-01-01

We discuss a class of trigonometric functions whose corresponding Fourier series, on a conveniently chosen interval, can be used to calculate several numerical series. Particular cases are presented and two recent results involving numerical series are recovered. (Contains 1 note.)

Development status of the experimental and numerical load analysis of package units CASTOR registered under drop test conditions

International Nuclear Information System (INIS)

Voelzer, Walter; Schaefer, Marc; Rumanus, Erkan; Liedtke, Ralph; Brehmer, Frank

2012-01-01

The mechanical integrity of package units CASTOR registered for a 9-m drop test under accident conditions has to be demonstrated according the requirements of IAEA among others. For reduction of the loads the containers have to be equipped with shock absorbers on the bottom and top sides. The determination of loads under drop test conditions can be performed with experimental or numerical methods. Due to the complexity of the load state and the verification of results both methods are usually used for integrity demonstration. The numerical codes have to model the short-term dynamic behavior of the whole container for different drop orientations and temperatures, local stress states have to be quantifiable for assessment. One of the problems is the modeling of the material behavior of wood that is used in the shock absorbers. The so far used energetic calculation approach will be replaced by a dynamic approach, the numerical models will have to be verified by experimental drop tests.

Numerical study of the generation of runaway electrons in a gas diode with a hot channel

Energy Technology Data Exchange (ETDEWEB)

Lisenkov, V. V., E-mail: lisenkov@iep.uran.ru [Institute of Electrophysics UrB RAS, 106 Amundsena St., Ekaterinburg 620012 (Russian Federation); Ural Federal University, 19 Mira St., Ekaterinburg 620002 (Russian Federation); Shklyaev, V. A., E-mail: shklyaev@to.hcei.tsc.ru [Institute of High Current Electronics SD RAS, 2/3 Akademichesky Avenue, 634055 Tomsk (Russian Federation); National Research Tomsk Polytechnic University, 30 Lenin Avenue, 634050 Tomsk (Russian Federation)

2015-11-15

A new method for increasing the efficiency of runaway electron beam generation in atmospheric pressure gas media has been suggested and theoretically proved. The method consists of creating a hot region (e.g., a spark channel or a laser plume) with a decreased numerical density of gas molecules (N) near the cathode. In this method, the ratio E/N (E—electric field strength) is increased by decreasing N instead of increasing E, as has been done in the past. The numerical model that is used allows the simultaneous calculation of the formation of a subnanosecond gas discharge and the generation of runaway electrons in gas media. The calculations have demonstrated the possibility of obtaining current pulses of runaway electrons with amplitudes of hundred of amperes and durations of more than 100 ps. The influence of the hot channel geometry on the parameters of the generated beam has been investigated.

Experimental and numerical investigation of plasma parameters in the magnetosheath

Directory of Open Access Journals (Sweden)

Dobreva Polya

2018-01-01

Full Text Available We investigate the behaviour of the plasma parameters in the magnetosheath in a case when Interball-1 satellite stayed in the magnetosheath, crossing the tail magnetopause. In our analysis we apply the numerical magnetosheath-magnetosphere model as a theoretical tool. The bow shock and the magnetopause are self-consistently determined in the process of the solution. The flow in the magnetosheath is governed by the Euler equations of compressible ideal gas. The magnetic field in the magnetosphere is calculated by a variant of the Tsyganenko model, modified to account for an asymmetric magnetopause. Also, the magnetopause currents in Tsyganenko model are replaced by numericaly calulated ones. Measurements from WIND spacecraft are used as a solar wind monitor. The results demonstrate a good agreement between the model-calculated and measured values of the parameters under investigation.

Numerical simulation and analysis of cavitation flows in a double suction centrifugal pump

International Nuclear Information System (INIS)

Meng, G; Tan, L; Cao, S L; Jian, W; Liu, W W; Jiang, D J

2015-01-01

Cavitation is an unsteady phenomenon, which is nearly inevitable in pumps. It would degrade the pump performance, generate vibrations and noises, and even erode pump flow passage components. The double suction centrifugal pump at design flow rate and large flow rate is numerically simulated using the k-ω turbulence model and the mass transport cavitation model. As a result, the calculated variation of pump head with pump inlet pressure agreed well with the experimental data. The results demonstrate that the numerical model and method can accurately predict the cavitation flows in a double suction centrifugal pump. The cavitation characteristics are analysed in great details. In addition, based on the calculation results, the reason that the plunge of pump head curve is revealed. It is found that the steep fall of pump head happens when the cavity reaches the blade to blade throat and the micro-vortex group appears at the back of the blade suction side. At the same time, this practice can provide guidance for the optimal design of double suction pumps

Numerical investigation of finite-volume effects for the HVP

Directory of Open Access Journals (Sweden)

Boyle Peter

2018-01-01

Full Text Available It is important to correct for finite-volume (FV effects in the presence of QED, since these effects are typically large due to the long range of the electromagnetic interaction. We recently made the first lattice calculation of electromagnetic corrections to the hadronic vacuum polarisation (HVP. For the HVP, an analytical derivation of FV corrections involves a two-loop calculation which has not yet been carried out. We instead calculate the universal FV corrections numerically, using lattice scalar QED as an effective theory. We show that this method gives agreement with known analytical results for scalar mass FV effects, before applying it to calculate FV corrections for the HVP. This method for numerical calculation of FV effects is also widely applicable to quantities beyond the HVP.

A New Numerical Method for Z2 Topological Insulators with Strong Disorder

Science.gov (United States)

Akagi, Yutaka; Katsura, Hosho; Koma, Tohru

2017-12-01

We propose a new method to numerically compute the Z2 indices for disordered topological insulators in Kitaev's periodic table. All of the Z2 indices are derived from the index formulae which are expressed in terms of a pair of projections introduced by Avron, Seiler, and Simon. For a given pair of projections, the corresponding index is determined by the spectrum of the difference between the two projections. This difference exhibits remarkable and useful properties, as it is compact and has a supersymmetric structure in the spectrum. These properties enable highly efficient numerical calculation of the indices of disordered topological insulators. The method, which we propose, is demonstrated for the Bernevig-Hughes-Zhang and Wilson-Dirac models whose topological phases are characterized by a Z2 index in two and three dimensions, respectively.

Advances in neutronics calculation of fast neutron reactors - Demonstration on Super-Phenix reactor

International Nuclear Information System (INIS)

Czernecki, Sebastien

1998-01-01

The fast reactor european neutronics calculations system, ERANOS, has integrated recent improvements both in nuclear data, with the use of the adjusted nuclear library ERALIB 1 from the JEF2.2 library, and calculation methods, with the use of the new european cell code, ECCO, and the deterministic code, TGV/VARIANT. This code performs full 3-D reactor calculation in the transport theory with variational method. The aim of this work is to create and validate a new calculational scheme for fast spectrum systems offering good compromise between accuracy and running time. The new scheme is based on these improvements plus a special procedure accounting for control rod heterogeneity, which uses a reactivity equivalence homogenization. The new scheme has been validated by means of experiment/calculation comparisons, using the extensive start-up program measurements performed in Super-Phenix reactor. The validation uses also recent measurements performed in the Phenix reactor. The results are very satisfactory and show a significant improvement for almost all core parameters, especially for critical mass, control rod worth and radial subassembly power distribution. A detailed analysis of the discrepancies between the old scheme and the new one for this parameter allows to understand the separate effects of methods and nuclear data on the radial power distribution shape. (author) [fr

Numerical Calculation of Distribution of Induced Carge Density on Planar Confined Surfaces

International Nuclear Information System (INIS)

Bolotov, V.; Druzhchenko, R.; Karazin, V.; Lominadze, J.; Kharadze, F.

2007-01-01

The calculation method of distribution of induced charge density on planar surfaces, including fractal structures of Sierpinski carpet type, is propesed. The calculation scheme is based on the fact that simply connected conducting surface of arbitrary geometry is an equipotential surface. (author)

Calculation of radiation effects in solids by direct numerical solution of the adjoint transport equation

International Nuclear Information System (INIS)

Matthes, W.K.

1998-01-01

The 'adjoint transport equation in its integro-differential form' is derived for the radiation damage produced by atoms injected into solids. We reduce it to the one-dimensional form and prepare it for a numerical solution by: --discretizing the continuous variables energy, space and direction, --replacing the partial differential quotients by finite differences and --evaluating the collision integral by a double sum. By a proper manipulation of this double sum the adjoint transport equation turns into a (very large) set of linear equations with tridiagonal matrix which can be solved by a special (simple and fast) algorithm. The solution of this set of linear equations contains complete information on a specified damage type (e.g. the energy deposited in a volume V) in terms of the function D(i,E,c,x) which gives the damage produced by all particles generated in a cascade initiated by a particle of type i starting at x with energy E in direction c. It is essential to remark that one calculation gives the damage function D for the complete ranges of the variables {i,E,c and x} (for numerical reasons of course on grid-points in the {E,c,x}-space). This is most useful to applications where a general source-distribution S(i,E,c,x) of particles is given by the experimental setup (e.g. beam-window and and target in proton accelerator work. The beam-protons along their path through the window--or target material generate recoil atoms by elastic collisions or nuclear reactions. These recoil atoms form the particle source S). The total damage produced then is eventually given by: D = (Σ)i ∫ ∫ ∫ S(i, E, c, x)*D(i, E, c, x)*dE*dc*dx A Fortran-77 program running on a PC-486 was written for the overall procedure and applied to some problems

XLOOPS - a package calculating one- and two-loop diagrams

International Nuclear Information System (INIS)

Bruecher, L.

1997-01-01

A program package for calculating massive one- and two-loop diagrams is introduced. It consists of five parts: - a graphical user interface, - routines for generating diagrams from particle input, - procedures for calculating one-loop integrals both analytically and numerically, - routines for massive two-loop integrals, - programs for numerical integration of two-loop diagrams. Here the graphical user interface and the text interface to Maple are presented. (orig.)

Numerical calculation of acoustic radiation from band-vibrating structures via FEM/FAQP method

Directory of Open Access Journals (Sweden)

GAO Honglin

2017-08-01

Full Text Available The Finite Element Method (FEM combined with the Frequency Averaged Quadratic Pressure method (FAQP are used to calculate the acoustic radiation of structures excited in the frequency band. The surface particle velocity of stiffened cylindrical shells under frequency band excitation is calculated using finite element software, the normal vibration velocity is converted from the surface particle velocity to calculate the average energy source (frequency averaged across intensity, frequency averaged across pressure and frequency averaged across velocity, and the FAQP method is used to calculate the average sound pressure level within the bandwidth. The average sound pressure levels are then compared with the bandwidth using finite element and boundary element software, and the results show that FEM combined with FAQP is more suitable for high frequencies and can be used to calculate the average sound pressure level in the 1/3 octave band with good stability, presenting an alternative to applying frequency-by-frequency calculation and the average frequency process. The FEM/FAQP method can be used as a prediction method for calculating acoustic radiation while taking the randomness of vibration at medium and high frequencies into consideration.

Application of numerical inverse method in calculation of composition-dependent interdiffusion coefficients in finite diffusion couples

DEFF Research Database (Denmark)

Liu, Yuanrong; Chen, Weimin; Zhong, Jing

2017-01-01

The previously developed numerical inverse method was applied to determine the composition-dependent interdiffusion coefficients in single-phase finite diffusion couples. The numerical inverse method was first validated in a fictitious binary finite diffusion couple by pre-assuming four standard...... sets of interdiffusion coefficients. After that, the numerical inverse method was then adopted in a ternary Al-Cu-Ni finite diffusion couple. Based on the measured composition profiles, the ternary interdiffusion coefficients along the entire diffusion path of the target ternary diffusion couple were...... obtained by using the numerical inverse approach. The comprehensive comparisons between the computations and the experiments indicate that the numerical inverse method is also applicable to high-throughput determination of the composition-dependent interdiffusion coefficients in finite diffusion couples....

Numerical modeling and optimization of the Iguassu gas centrifuge

Science.gov (United States)

Bogovalov, S. V.; Borman, V. D.; Borisevich, V. D.; Tronin, V. N.; Tronin, I. V.

2017-07-01

The full procedure of the numerical calculation of the optimized parameters of the Iguassu gas centrifuge (GC) is under discussion. The procedure consists of a few steps. On the first step the problem of a hydrodynamical flow of the gas in the rotating rotor of the GC is solved numerically. On the second step the problem of diffusion of the binary mixture of isotopes is solved. The separation power of the gas centrifuge is calculated after that. On the last step the time consuming procedure of optimization of the GC is performed providing us the maximum of the separation power. The optimization is based on the BOBYQA method exploring the results of numerical simulations of the hydrodynamics and diffusion of the mixture of isotopes. Fast convergence of calculations is achieved due to exploring of a direct solver at the solution of the hydrodynamical and diffusion parts of the problem. Optimized separative power and optimal internal parameters of the Iguassu GC with 1 m rotor were calculated using the developed approach. Optimization procedure converges in 45 iterations taking 811 minutes.

Numerical model CCC

International Nuclear Information System (INIS)

Bodvarsson, G.S.; Lippmann, M.J.

1980-01-01

The computer program CCC (conduction-convection-consolidation), developed at Lawrence Berkeley Laboratory, solves numerically the heat and mass flow equations for a fully saturated medium, and computes one-dimensional consolidation of the simulated systems. The model employs the Integrated Finite Difference Method (IFDM) in discretizing the saturated medium and formulating the governing equations. The sets of equations are solved either by an iterative solution technique (old version) or an efficient sparse solver (new version). The deformation of the medium is calculated using the one-dimensional consolidation theory of Terzaghi. In this paper, the numerical code is described, validation examples given and areas of application discussed. Several example problems involving flow through fractured media are also presented

Calculations of axisymmetric stability of tokamak plasmas with active and passive feedback

International Nuclear Information System (INIS)

Ward, D.J.; Jardin, S.C.; Cheng, C.Z.

1991-07-01

A new linear MHD stability code, NOVA-W, has been developed in order to study feedback stabilization of the axisymmetric mode in deformable tokamak plasmas. The NOVA-W code is a modification of the non-variational MHD stability code NOVA that includes the effects of resistive passive conductors and active feedback circuits. The vacuum calculation has been reformulated in terms of the perturbed poloidal flux to allow the inclusion of perturbed toroidal currents outside the plasma. The boundary condition at the plasma-vacuum interface relates the instability displacement to the perturbed poloidal flux. This allows a solution of the linear MHD stability equations with the feedback effects included. The passive stability predictions of the code have been tested both against a simplified analytic model and against a different numerical calculation for a realistic tokamak configuration. The comparisons demonstrate the accuracy of the NOVA-W results. Active feedback calculations are performed for the CIT tokamak design demonstrating the effect of varying the position of the flux loops that provide the measurements of vertical displacement. The results compare well with those computed earlier using a less efficient nonlinear code. 37 refs., 13 figs

Calculation of locomotive traction force in transient rolling contact

Directory of Open Access Journals (Sweden)

Voltr P.

2017-06-01

Full Text Available To represent thewheel-rail contact in numerical simulations of rail vehicles, simplified models (Fastsim, Pola´ch etc. are usually employed. These models are designed for steady rolling only, which is perfectly suitable in many cases. However, it is shown to be limiting for simulations at very low vehicle speeds, and therefore it does not actually allow simulation of vehicle running at arbitrarily variable speed. The simplified model of transient rolling, which involves calculation of the stress distribution in the discretised contact area, overcomes this disadvantage but might be unnecessarily complex for more simple simulations. In this paper, an approximative creep force computation method for transient rolling is presented. Its purpose is not to study the transient phenomena themselves but provide a simple and readily available way to prevent incorrect results of the numerical simulation when the vehicle speed approaches zero. The proper function of the proposed method is demonstrated by a simulation of start-up and interrupted sliding of a four-axle locomotive.

Calculating Cumulative Binomial-Distribution Probabilities

Science.gov (United States)

Scheuer, Ernest M.; Bowerman, Paul N.

1989-01-01

Cumulative-binomial computer program, CUMBIN, one of set of three programs, calculates cumulative binomial probability distributions for arbitrary inputs. CUMBIN, NEWTONP (NPO-17556), and CROSSER (NPO-17557), used independently of one another. Reliabilities and availabilities of k-out-of-n systems analyzed. Used by statisticians and users of statistical procedures, test planners, designers, and numerical analysts. Used for calculations of reliability and availability. Program written in C.

Divided Saddle Theory: A New Idea for Rate Constant Calculation.

Science.gov (United States)

Daru, János; Stirling, András

2014-03-11

We present a theory of rare events and derive an algorithm to obtain rates from postprocessing the numerical data of a free energy calculation and the corresponding committor analysis. The formalism is based on the division of the saddle region of the free energy profile of the rare event into two adjacent segments called saddle domains. The method is built on sampling the dynamics within these regions: auxiliary rate constants are defined for the saddle domains and the absolute forward and backward rates are obtained by proper reweighting. We call our approach divided saddle theory (DST). An important advantage of our approach is that it requires only standard computational techniques which are available in most molecular dynamics codes. We demonstrate the potential of DST numerically on two examples: rearrangement of alanine-dipeptide (CH3CO-Ala-NHCH3) conformers and the intramolecular Cope reaction of the fluxional barbaralane molecule.

Thermohydraulic calculations of PWR primary circuits

International Nuclear Information System (INIS)

Botelho, D.A.

1984-01-01

Some mathematical and numerical models from Retran computer codes aiming to simulate reactor transients, are presented. The equations used for calculating one-dimensional flow are integrated using mathematical methods from Flash code, with steam code to correlate the variables from thermodynamic state. The algorithm obtained was used for calculating a PWR reactor. (E.G.) [pt

A Deep Penetration Problem Calculation Using AETIUS:An Easy Modeling Discrete Ordinates Ṯransport Code UsIng Unstructured Tetrahedral Mesh, Shared Memory Parallel

Directory of Open Access Journals (Sweden)

KIM Jong Woon

2017-01-01

In this paper, we describe a brief overview of AETIUS and provide numerical results from both AETIUS and a Monte Carlo code, MCNP5, in a deep penetration problem with small detection volumes. The results demonstrate the effectiveness and efficiency of AETIUS for such calculations.

Numerical Verification Of Equilibrium Chemistry

International Nuclear Information System (INIS)

Piro, Markus; Lewis, Brent; Thompson, William T.; Simunovic, Srdjan; Besmann, Theodore M.

2010-01-01

A numerical tool is in an advanced state of development to compute the equilibrium compositions of phases and their proportions in multi-component systems of importance to the nuclear industry. The resulting software is being conceived for direct integration into large multi-physics fuel performance codes, particularly for providing boundary conditions in heat and mass transport modules. However, any numerical errors produced in equilibrium chemistry computations will be propagated in subsequent heat and mass transport calculations, thus falsely predicting nuclear fuel behaviour. The necessity for a reliable method to numerically verify chemical equilibrium computations is emphasized by the requirement to handle the very large number of elements necessary to capture the entire fission product inventory. A simple, reliable and comprehensive numerical verification method is presented which can be invoked by any equilibrium chemistry solver for quality assurance purposes.

Recursive algorithm for arrays of generalized Bessel functions: Numerical access to Dirac-Volkov solutions.

Science.gov (United States)

Lötstedt, Erik; Jentschura, Ulrich D

2009-02-01

In the relativistic and the nonrelativistic theoretical treatment of moderate and high-power laser-matter interaction, the generalized Bessel function occurs naturally when a Schrödinger-Volkov and Dirac-Volkov solution is expanded into plane waves. For the evaluation of cross sections of quantum electrodynamic processes in a linearly polarized laser field, it is often necessary to evaluate large arrays of generalized Bessel functions, of arbitrary index but with fixed arguments. We show that the generalized Bessel function can be evaluated, in a numerically stable way, by utilizing a recurrence relation and a normalization condition only, without having to compute any initial value. We demonstrate the utility of the method by illustrating the quantum-classical correspondence of the Dirac-Volkov solutions via numerical calculations.

COVE 2A Benchmarking calculations using NORIA

International Nuclear Information System (INIS)

Carrigan, C.R.; Bixler, N.E.; Hopkins, P.L.; Eaton, R.R.

1991-10-01

Six steady-state and six transient benchmarking calculations have been performed, using the finite element code NORIA, to simulate one-dimensional infiltration into Yucca Mountain. These calculations were made to support the code verification (COVE 2A) activity for the Yucca Mountain Site Characterization Project. COVE 2A evaluates the usefulness of numerical codes for analyzing the hydrology of the potential Yucca Mountain site. Numerical solutions for all cases were found to be stable. As expected, the difficulties and computer-time requirements associated with obtaining solutions increased with infiltration rate. 10 refs., 128 figs., 5 tabs

Semi-analytical calculation of fuel parameters for shock ignition fusion

Directory of Open Access Journals (Sweden)

S A Ghasemi

2017-02-01

Full Text Available In this paper, semi-analytical relations of total energy, fuel gain and hot-spot radius in a non-isobaric model have been derived and compared with Schmitt (2010 numerical calculations for shock ignition scenario. in nuclear fusion. Results indicate that the approximations used by Rosen (1983 and Schmitt (2010 for the calculation of burn up fraction have not enough accuracy compared with numerical simulation. Meanwhile, it is shown that the obtained formulas of non-isobaric model cannot determine the model parameters of total energy, fuel gain and hot-spot radius uniquely. Therefore, employing more appropriate approximations, an improved semianalytical relations for non-isobaric model has been presented, which  are in a better agreement with numerical calculations of shock ignition by Schmitt (2010.

Two-Phase Flow in Pipes: Numerical Improvements and Qualitative Analysis for a Refining Process

Directory of Open Access Journals (Sweden)

Teixeira R.G.D.

2015-03-01

Full Text Available Two-phase flow in pipes occurs frequently in refineries, oil and gas production facilities and petrochemical units. The accurate design of such processing plants requires that numerical algorithms be combined with suitable models for predicting expected pressure drops. In performing such calculations, pressure gradients may be obtained from empirical correlations such as Beggs and Brill, and they must be integrated over the total length of the pipe segment, simultaneously with the enthalpy-gradient equation when the temperature profile is unknown. This paper proposes that the set of differential and algebraic equations involved should be solved as a Differential Algebraic Equations (DAE System, which poses a more CPU-efficient alternative to the “marching algorithm” employed by most related work. Demonstrating the use of specific regularization functions in preventing convergence failure in calculations due to discontinuities inherent to such empirical correlations is also a key feature of this study. The developed numerical techniques are then employed to examine the sensitivity to heat-transfer parameters of the results obtained for a typical refinery two-phase flow design problem.

COMPLEX OF NUMERICAL MODELS FOR COMPUTATION OF AIR ION CONCENTRATION IN PREMISES

Directory of Open Access Journals (Sweden)

M. M. Biliaiev

2016-04-01

Full Text Available Purpose. The article highlights the question about creation the complex numerical models in order to calculate the ions concentration fields in premises of various purpose and in work areas. Developed complex should take into account the main physical factors influencing the formation of the concentration field of ions, that is, aerodynamics of air jets in the room, presence of furniture, equipment, placement of ventilation holes, ventilation mode, location of ionization sources, transfer of ions under the electric field effect, other factors, determining the intensity and shape of the field of concentration of ions. In addition, complex of numerical models has to ensure conducting of the express calculation of the ions concentration in the premises, allowing quick sorting of possible variants and enabling «enlarged» evaluation of air ions concentration in the premises. Methodology. The complex numerical models to calculate air ion regime in the premises is developed. CFD numerical model is based on the use of aerodynamics, electrostatics and mass transfer equations, and takes into account the effect of air flows caused by the ventilation operation, diffusion, electric field effects, as well as the interaction of different polarities ions with each other and with the dust particles. The proposed balance model for computation of air ion regime indoors allows operative calculating the ions concentration field considering pulsed operation of the ionizer. Findings. The calculated data are received, on the basis of which one can estimate the ions concentration anywhere in the premises with artificial air ionization. An example of calculating the negative ions concentration on the basis of the CFD numerical model in the premises with reengineering transformations is given. On the basis of the developed balance model the air ions concentration in the room volume was calculated. Originality. Results of the air ion regime computation in premise, which

Development of a model for the primary system CAREM reactor's stationary thermohydraulic calculation

International Nuclear Information System (INIS)

Gaspar, C.; Abbate, P.

1990-01-01

The ESCAREM program oriented to CAREM reactors' stationary thermohydraulic calculation is presented. As CAREM gives variations in relation to models for BWR (Boiling Water Reactors)/PWR (Pressurized Water Reactors) reactors, it was decided to develop a suitable model which allows to calculate: a) if the Steam Generator design is adequate to transfer the power required; b) the circulation flow that occurs in the Primary System; c) the temperature at the entrance (cool branch) and d) the contribution of each component to the pressure drop in the circulation connection. Results were verified against manual calculations and alternative numerical models. An experimental validation at the Thermohydraulic Essays Laboratory is suggested. A parametric analysis series is presented on CAREM 25 reactor, demonstrating operating conditions, at different power levels, as well as the influence of different design aspects. (Author) [es

Hybrid Numerical-Analytical Scheme for Calculating Elastic Wave Diffraction in Locally Inhomogeneous Waveguides

Science.gov (United States)

Glushkov, E. V.; Glushkova, N. V.; Evdokimov, A. A.

2018-01-01

Numerical simulation of traveling wave excitation, propagation, and diffraction in structures with local inhomogeneities (obstacles) is computationally expensive due to the need for mesh-based approximation of extended domains with the rigorous account for the radiation conditions at infinity. Therefore, hybrid numerical-analytic approaches are being developed based on the conjugation of a numerical solution in a local vicinity of the obstacle and/or source with an explicit analytic representation in the remaining semi-infinite external domain. However, in standard finite-element software, such a coupling with the external field, moreover, in the case of multimode expansion, is generally not provided. This work proposes a hybrid computational scheme that allows realization of such a conjugation using a standard software. The latter is used to construct a set of numerical solutions used as the basis for the sought solution in the local internal domain. The unknown expansion coefficients on this basis and on normal modes in the semi-infinite external domain are then determined from the conditions of displacement and stress continuity at the boundary between the two domains. We describe the implementation of this approach in the scalar and vector cases. To evaluate the reliability of the results and the efficiency of the algorithm, we compare it with a semianalytic solution to the problem of traveling wave diffraction by a horizontal obstacle, as well as with a finite-element solution obtained for a limited domain artificially restricted using absorbing boundaries. As an example, we consider the incidence of a fundamental antisymmetric Lamb wave onto surface and partially submerged elastic obstacles. It is noted that the proposed hybrid scheme can also be used to determine the eigenfrequencies and eigenforms of resonance scattering, as well as the characteristics of traveling waves in embedded waveguides.

Numerical simulation investigation on centrifugal compressor performance of turbocharger

International Nuclear Information System (INIS)

Li, Jie; Yin, Yuting; Li, Shuqi; Zhang, Jizhong

2013-01-01

In this paper, the mathematical model of the flow filed in centrifugal compressor of turbocharger was studied. Based on the theory of computational fluid dynamics (CFD), performance curves and parameter distributions of the compressor were obtained from the 3-D numerical simulation by using CFX. Meanwhile, the influences of grid number and distribution on compressor performance were investigated, and numerical calculation method was analyzed and validated, through combining with test data. The results obtained show the increase of the grid number has little influence on compressor performance while the grid number of single-passage is above 300,000. The results also show that the numerical calculation mass flow rate of compressor choke situation has a good consistent with test results, and the maximum difference of the diffuser exit pressure between simulation and experiment decrease to 3.5% with the assumption of 6 kPa additional total pressure loss at compressor inlet. The numerical simulation method in this paper can be used to predict compressor performance, and the difference of total pressure ratio between calculation and test is less than 7%, and the total-to-total efficiency also have a good consistent with test.

Numerical simulation investigation on centrifugal compressor performance of turbocharger

Energy Technology Data Exchange (ETDEWEB)

Li, Jie [China Iron and Steel Research Institute Group, Beijing (China); Yin, Yuting [China North Engine Research Institute, Datong (China); Li, Shuqi; Zhang, Jizhong [Science and Technology Diesel Engine Turbocharging Laboratory, Datong (China)

2013-06-15

In this paper, the mathematical model of the flow filed in centrifugal compressor of turbocharger was studied. Based on the theory of computational fluid dynamics (CFD), performance curves and parameter distributions of the compressor were obtained from the 3-D numerical simulation by using CFX. Meanwhile, the influences of grid number and distribution on compressor performance were investigated, and numerical calculation method was analyzed and validated, through combining with test data. The results obtained show the increase of the grid number has little influence on compressor performance while the grid number of single-passage is above 300,000. The results also show that the numerical calculation mass flow rate of compressor choke situation has a good consistent with test results, and the maximum difference of the diffuser exit pressure between simulation and experiment decrease to 3.5% with the assumption of 6 kPa additional total pressure loss at compressor inlet. The numerical simulation method in this paper can be used to predict compressor performance, and the difference of total pressure ratio between calculation and test is less than 7%, and the total-to-total efficiency also have a good consistent with test.

Modelling of catalytic recombiners. Comparison of REKO-DIREKT calculations with REKO-3 experiments

International Nuclear Information System (INIS)

Reinecke, E.-A.; Boehm, J.; Drinovac, P.; Struth, S.; Tragsdorf, I.M.

2005-01-01

Numerous containments of European light water reactors (LWR) are equipped with passive autocatalytic recombiners (PAR). PARs make use of the fact that hydrogen and oxygen react exothermally on catalytic surfaces generating steam and heat even below conventional concentration limits and ignition temperatures. These devices are designed for the removal of hydrogen generated during a severe accident in order to limit the impact of a possible hydrogen combustion. Alongside many experimental programmes performed at different institutions in the past which demonstrated the technical feasibility of this approach, investigations also revealed that there is still research needed in order to optimise and to enhance existing systems. The knowledge of the processes inside recombiners is still limited. The numerical code REKO-DIREKT has been developed in order to analyse the processes inside a PAR. The code calculates the local catalyst and gas temperatures and the concentration regression along the catalyst plates dependent on the inlet hydrogen concentration, the inlet gas temperature, and the flow rate. Numerous experiments have been performed in the REKO-3 facility taking into account different hydrogen concentrations, different flow rates, the presence of steam, the lack of oxygen, and different arrangements of the catalyst elements. The experimental results are used for the validation of the code providing also data specific for sub-models, e.g. the heat radiation model. The first basic calculations fit well with the experimental results indicating a proper understanding of the fundamental processes. The paper presents model calculations performed and the comparison with experimental results. (author)

Numerical performance and throughput benchmark for electronic structure calculations in PC-Linux systems with new architectures, updated compilers, and libraries.

Science.gov (United States)

Yu, Jen-Shiang K; Hwang, Jenn-Kang; Tang, Chuan Yi; Yu, Chin-Hui

2004-01-01

A number of recently released numerical libraries including Automatically Tuned Linear Algebra Subroutines (ATLAS) library, Intel Math Kernel Library (MKL), GOTO numerical library, and AMD Core Math Library (ACML) for AMD Opteron processors, are linked against the executables of the Gaussian 98 electronic structure calculation package, which is compiled by updated versions of Fortran compilers such as Intel Fortran compiler (ifc/efc) 7.1 and PGI Fortran compiler (pgf77/pgf90) 5.0. The ifc 7.1 delivers about 3% of improvement on 32-bit machines compared to the former version 6.0. Performance improved from pgf77 3.3 to 5.0 is also around 3% when utilizing the original unmodified optimization options of the compiler enclosed in the software. Nevertheless, if extensive compiler tuning options are used, the speed can be further accelerated to about 25%. The performances of these fully optimized numerical libraries are similar. The double-precision floating-point (FP) instruction sets (SSE2) are also functional on AMD Opteron processors operated in 32-bit compilation, and Intel Fortran compiler has performed better optimization. Hardware-level tuning is able to improve memory bandwidth by adjusting the DRAM timing, and the efficiency in the CL2 mode is further accelerated by 2.6% compared to that of the CL2.5 mode. The FP throughput is measured by simultaneous execution of two identical copies of each of the test jobs. Resultant performance impact suggests that IA64 and AMD64 architectures are able to fulfill significantly higher throughput than the IA32, which is consistent with the SpecFPrate2000 benchmarks.

Numerical Procedure for Optimizing Dye-Sensitized Solar Cells

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Mihai Razvan Mitroi

2014-01-01

Full Text Available We propose a numerical procedure consisting of a simplified physical model and a numerical method with the aim of optimizing the performance parameters of dye-sensitized solar cells (DSSCs. We calculate the real rate of absorbed photons (in the dye spectral range Grealx by introducing a factor β<1 in order to simplify the light absorption and reflection on TCO electrode. We consider the electrical transport to be purely diffusive and the recombination process only to occur between electrons from the TiO2 conduction band and anions from the electrolyte. The used numerical method permits solving the system of differential equations resulting from the physical model. We apply the proposed numerical procedure on a classical DSSC based on Ruthenium dye in order to validate it. For this, we simulate the J-V characteristics and calculate the main parameters: short-circuit current density Jsc, open circuit voltage Voc, fill factor FF, and power conversion efficiency η. We analyze the influence of the nature of semiconductor (TiO2 and dye and also the influence of different technological parameters on the performance parameters of DSSCs. The obtained results show that the proposed numerical procedure is suitable for developing a numerical simulation platform for improving the DSSCs performance by choosing the optimal parameters.

Numerical Methods for the Design and Analysis of Photonic Crystal Fibres

DEFF Research Database (Denmark)

Roberts, John

2008-01-01

The numerical methods available for calculating the electromagnetic mode properties of photonic crystal fibres are reviewed. The preferred schemes for analyzing TIR guiding and band gap guiding fibres are contrasted.......The numerical methods available for calculating the electromagnetic mode properties of photonic crystal fibres are reviewed. The preferred schemes for analyzing TIR guiding and band gap guiding fibres are contrasted....

Range performance calculations using the NVEOL-Georgia Tech Research Institute 0.1- to 100-GHz radar performance model

Science.gov (United States)

Rodak, S. P.; Thomas, N. I.

1983-05-01

A computer model that can be used to calculate radar range performance at any frequency in the 0.1-to 100-GHz electromagnetic spectrum is described. These different numerical examples are used to demonstrate how to use the radar range performance model. Input/output documentation are included for each case that was run on the MERADCOM CDC 6600 computer at Fort Belvoir, Virginia.

Numerical Algorithm for Delta of Asian Option

Directory of Open Access Journals (Sweden)

Boxiang Zhang

2015-01-01

Full Text Available We study the numerical solution of the Greeks of Asian options. In particular, we derive a close form solution of Δ of Asian geometric option and use this analytical form as a control to numerically calculate Δ of Asian arithmetic option, which is known to have no explicit close form solution. We implement our proposed numerical method and compare the standard error with other classical variance reduction methods. Our method provides an efficient solution to the hedging strategy with Asian options.

Impact of image noise on gamma index calculation

International Nuclear Information System (INIS)

Chen, M; Mo, X; Parnell, D; Olivera, G; Galmarini, D; Lu, W

2014-01-01

Purpose: The Gamma Index defines an asymmetric metric between the evaluated image and the reference image. It provides a quantitative comparison that can be used to indicate sample-wised pass/fail on the agreement of the two images. The Gamma passing/failing rate has become an important clinical evaluation tool. However, the presence of noise in the evaluated and/or reference images may change the Gamma Index, hence the passing/failing rate, and further, clinical decisions. In this work, we systematically studied the impact of the image noise on the Gamma Index calculation. Methods: We used both analytic formulation and numerical calculations in our study. The numerical calculations included simulations and clinical images. Three different noise scenarios were studied in simulations: noise in reference images only, in evaluated images only, and in both. Both white and spatially correlated noises of various magnitudes were simulated. For clinical images of various noise levels, the Gamma Index of measurement against calculation, calculation against measurement, and measurement against measurement, were evaluated. Results: Numerical calculations for both the simulation and clinical data agreed with the analytic formulations, and the clinical data agreed with the simulations. For the Gamma Index of measurement against calculation, its distribution has an increased mean and an increased standard deviation as the noise increases. On the contrary, for the Gamma index of calculation against measurement, its distribution has a decreased mean and stabilized standard deviation as the noise increases. White noise has greater impact on the Gamma Index than spatially correlated noise. Conclusions: The noise has significant impact on the Gamma Index calculation and the impact is asymmetric. The Gamma Index should be reported along with the noise levels in both reference and evaluated images. Reporting of the Gamma Index with switched roles of the images as reference and

Impact of Image Noise on Gamma Index Calculation

Science.gov (United States)

Chen, M.; Mo, X.; Parnell, D.; Olivera, G.; Galmarini, D.; Lu, W.

2014-03-01

Purpose: The Gamma Index defines an asymmetric metric between the evaluated image and the reference image. It provides a quantitative comparison that can be used to indicate sample-wised pass/fail on the agreement of the two images. The Gamma passing/failing rate has become an important clinical evaluation tool. However, the presence of noise in the evaluated and/or reference images may change the Gamma Index, hence the passing/failing rate, and further, clinical decisions. In this work, we systematically studied the impact of the image noise on the Gamma Index calculation. Methods: We used both analytic formulation and numerical calculations in our study. The numerical calculations included simulations and clinical images. Three different noise scenarios were studied in simulations: noise in reference images only, in evaluated images only, and in both. Both white and spatially correlated noises of various magnitudes were simulated. For clinical images of various noise levels, the Gamma Index of measurement against calculation, calculation against measurement, and measurement against measurement, were evaluated. Results: Numerical calculations for both the simulation and clinical data agreed with the analytic formulations, and the clinical data agreed with the simulations. For the Gamma Index of measurement against calculation, its distribution has an increased mean and an increased standard deviation as the noise increases. On the contrary, for the Gamma index of calculation against measurement, its distribution has a decreased mean and stabilized standard deviation as the noise increases. White noise has greater impact on the Gamma Index than spatially correlated noise. Conclusions: The noise has significant impact on the Gamma Index calculation and the impact is asymmetric. The Gamma Index should be reported along with the noise levels in both reference and evaluated images. Reporting of the Gamma Index with switched roles of the images as reference and

Numerical calculation and analysis of natural convection removal of the spent fuel residual heat of 10 MW high temperature gas cooled reactor

International Nuclear Information System (INIS)

Wang Jinhua; Huang Yifan; Wu Bin

2013-01-01

The spent fuel of 10 MW High Temperature Gas Cooled Reactor (HTR-10) could be stored in the shielded tank, and the tank is stored in the concrete shielded canister in spent fuel storage room, the residual heat of the spent fuel could be removed by the air. The ability of residual heat removal is analyzed in the paper, and the temperature field is numerically calculated through FEA program ANSYS, the analysis and the calculation are used to validate the safety of the spent fuel and the tank, the ultimate temperature of the spent fuel and the tank should below the safety limit. The calculation shows that the maximum temperature locates in the middle of the fuel pebble bed in the spent fuel tank, and the temperature decreases gradually with radial distance, the temperature in the tank body is evenly distributed, and the temperature in the concrete shielded canister decreases gradually with radial distance. It is feasible to remove the residual heat of the spent fuel storage tank by natural ventilation, in natural ventilation condition, the temperature of the spent fuel and the tank is lower than the temperature limit, which provides theoretical evidence for the choice of the residual heat removal method. (authors)

Calculating the albedo characteristics by the method of transmission probabilities

International Nuclear Information System (INIS)

Lukhvich, A.A.; Rakhno, I.L.; Rubin, I.E.

1983-01-01

The possibility to use the method of transmission probabilities for calculating the albedo characteristics of homogeneous and heterogeneous zones is studied. The transmission probabilities method is a numerical method for solving the transport equation in the integrated form. All calculations have been conducted as a one-group approximation for the planes and rods with different optical thicknesses and capture-to-scattering ratios. Above calculations for plane and cylindrical geometries have shown the possibility to use the numerical method of transmission probabilities for calculating the albedo characteristics of homogeneous and heterogeneous zones with high accuracy. In this case the computer time consumptions are minimum even with the cylindrical geometry, if the interpolation calculation of characteristics is used for the neutrons of the first path

Numerical verification/validation of the theory of coupled reactors for deuterium critical assembly, using MCNP5 and Serpent codes

International Nuclear Information System (INIS)

Hussein, M.S; Lewis, B.J.; Bonin, H.W.

2013-01-01

The theory of multipoint coupled reactors developed by multi-group transport is verified by using the probabilistic transport code MCNP5 and the continuous-energy Monte Carlo reactor physics burnup calculation Serpent code. The verification was performed by calculating the multiplication factors (or criticality factors) and coupling coefficients for a two-region test reactor known as the Deuterium Critical Assembly, DCA. The multiplication factors k eff calculated numerically and independently from simulations of the DCA by MCNP5 and Serpent codes are compared with the multiplication factors k eff calculated based on the coupled reactor theory. Excellent agreement was obtained between the multiplication factors k eff calculated with the Serpent code, with MCNP5, and from the coupled reactor theory. This analysis demonstrates that the Serpent code is valid for the multipoint coupled reactor calculations. (author)

Numerical verification/validation of the theory of coupled reactors for deuterium critical assembly, using MCNP5 and Serpent codes

Energy Technology Data Exchange (ETDEWEB)

Hussein, M.S, E-mail: mohamed.hussein@rmc.ca [Royal Military College of Canada, Dept. of Chemistry and Chemical Engineering, Kingston, Ontario (Canada); Lewis, B.J., E-mail: Brent.Lewis@uoit.ca [Univ. of Ontario Inst. of Technology, Faculty of Energy Systems and Nuclear Science, Oshawa, Ontario (Canada); Bonin, H.W., E-mail: bonin-h@rmc.ca [Royal Military College of Canada, Dept. of Chemistry and Chemical Engineering, Kingston, Ontario (Canada)

2013-07-01

The theory of multipoint coupled reactors developed by multi-group transport is verified by using the probabilistic transport code MCNP5 and the continuous-energy Monte Carlo reactor physics burnup calculation Serpent code. The verification was performed by calculating the multiplication factors (or criticality factors) and coupling coefficients for a two-region test reactor known as the Deuterium Critical Assembly, DCA. The multiplication factors k{sub eff} calculated numerically and independently from simulations of the DCA by MCNP5 and Serpent codes are compared with the multiplication factors k{sub eff} calculated based on the coupled reactor theory. Excellent agreement was obtained between the multiplication factors k{sub eff} calculated with the Serpent code, with MCNP5, and from the coupled reactor theory. This analysis demonstrates that the Serpent code is valid for the multipoint coupled reactor calculations. (author)

Variational treatment of electron-polyatomic-molecule scattering calculations using adaptive overset grids

Science.gov (United States)

Greenman, Loren; Lucchese, Robert R.; McCurdy, C. William

2017-11-01

The complex Kohn variational method for electron-polyatomic-molecule scattering is formulated using an overset-grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense atom-centered subgrids that allow the simultaneous spherical expansions of the wave function about multiple centers. Scattering boundary conditions are enforced by using a basis formed by the repeated application of the free-particle Green's function and potential Ĝ0+V ̂ on the overset grid in a Born-Arnoldi solution of the working equations. The theory is shown to be equivalent to a specific Padé approximant to the T matrix and has rapid convergence properties, in both the number of numerical basis functions employed and the number of partial waves employed in the spherical expansions. The method is demonstrated in calculations on methane and CF4 in the static-exchange approximation and compared in detail with calculations performed with the numerical Schwinger variational approach based on single-center expansions. An efficient procedure for operating with the free-particle Green's function and exchange operators (to which no approximation is made) is also described.

A simple and rational numerical method of two-phase flow with volume-junction model. 2. The numerical method for general condition of two-phase flow in non-equilibrium states

International Nuclear Information System (INIS)

Okazaki, Motoaki

1997-11-01

In the previous report, the usefulness of a new numerical method to achieve a rigorous numerical calculation using a simple explicit method with the volume-junction model was presented with the verification calculation for the depressurization of a saturated two-phase mixture. In this report, on the basis of solution method above, a numerical method for general condition of two-phase flow in non-equilibrium states is presented. In general condition of two-phase flow, the combinations of saturated and non-saturated conditions of each phase are considered in the each flow of volume and junction. Numerical evaluation programs are separately prepared for each combination of flow condition. Several numerical calculations of various kinds of non-equilibrium two-phase flow are made to examine the validity of the numerical method. Calculated results showed that the thermodynamic states obtained in different solution schemes were consistent with each other. In the first scheme, the states are determined by using the steam table as a function of pressure and specific enthalpy which are obtained as the solutions of simultaneous equations. In the second scheme, density and specific enthalpy of each phase are directly calculated by using conservation equations of mass and enthalpy of each phase, respectively. Further, no accumulation of error in mass and energy was found. As for the specific enthalpy, two cases of using energy equations for the volume are examined. The first case uses total energy conservation equation and the second case uses the type of the first law of thermodynamics. The results of both cases agreed well. (author)

Electric field calculations in brain stimulation based on finite elements

DEFF Research Database (Denmark)

Windhoff, Mirko; Opitz, Alexander; Thielscher, Axel

2013-01-01

The need for realistic electric field calculations in human noninvasive brain stimulation is undisputed to more accurately determine the affected brain areas. However, using numerical techniques such as the finite element method (FEM) is methodologically complex, starting with the creation...... of accurate head models to the integration of the models in the numerical calculations. These problems substantially limit a more widespread application of numerical methods in brain stimulation up to now. We introduce an optimized processing pipeline allowing for the automatic generation of individualized...... the successful usage of the pipeline in six subjects, including field calculations for transcranial magnetic stimulation and transcranial direct current stimulation. The quality of the head volume meshes is validated both in terms of capturing the underlying anatomy and of the well-shapedness of the mesh...

Analyzed method for calculating the distribution of electrostatic field

International Nuclear Information System (INIS)

Lai, W.

1981-01-01

An analyzed method for calculating the distribution of electrostatic field under any given axial gradient in tandem accelerators is described. This method possesses satisfactory accuracy compared with the results of numerical calculation

Comparison of GPU-Based Numerous Particles Simulation and Experiment

International Nuclear Information System (INIS)

Park, Sang Wook; Jun, Chul Woong; Sohn, Jeong Hyun; Lee, Jae Wook

2014-01-01

The dynamic behavior of numerous grains interacting with each other can be easily observed. In this study, this dynamic behavior was analyzed based on the contact between numerous grains. The discrete element method was used for analyzing the dynamic behavior of each particle and the neighboring-cell algorithm was employed for detecting their contact. The Hertzian and tangential sliding friction contact models were used for calculating the contact force acting between the particles. A GPU-based parallel program was developed for conducting the computer simulation and calculating the numerous contacts. The dam break experiment was performed to verify the simulation results. The reliability of the program was verified by comparing the results of the simulation with those of the experiment

Determination of organ doses during radiological examinations and calculation of somatically significant dose

International Nuclear Information System (INIS)

Steiner, H.

1980-01-01

Examples are used to demonstrate that a shift in the point of emphasis is necessary with regard to radiation hazard in medicinal X-ray diagnosis. The parameters employed in this study to calculate somatic dose (SD) and somatically significant dose (SSD) may well be in need of modification; nevertheless the numerical estimation of SSD arrived at here appears to reflect the right order of magnitude for the estimation of somatic risk. The consideration of the threshold dose for somatic injury remains a problem. (orig./MG) [de

Excel spreadsheet in teaching numerical methods

Science.gov (United States)

Djamila, Harimi

2017-09-01

One of the important objectives in teaching numerical methods for undergraduates’ students is to bring into the comprehension of numerical methods algorithms. Although, manual calculation is important in understanding the procedure, it is time consuming and prone to error. This is specifically the case when considering the iteration procedure used in many numerical methods. Currently, many commercial programs are useful in teaching numerical methods such as Matlab, Maple, and Mathematica. These are usually not user-friendly by the uninitiated. Excel spreadsheet offers an initial level of programming, which it can be used either in or off campus. The students will not be distracted with writing codes. It must be emphasized that general commercial software is required to be introduced later to more elaborated questions. This article aims to report on a teaching numerical methods strategy for undergraduates engineering programs. It is directed to students, lecturers and researchers in engineering field.

NUMERICAL SIMULATION OF TOXIC CHEMICAL DISPERSION AFTER ACCIDENT AT RAILWAY

Directory of Open Access Journals (Sweden)

M. M. Biliaiev

2016-04-01

Full Text Available Purpose. This research focuses on the development of an applied numerical model to calculate the dynamics of atmospheric pollution in the emission of dangerous chemical substances in the event of transportation by railway. Methodology. For the numerical simulation of transport process of the dangerous chemical substance in the atmosphere the equation of convection-diffusion pollutant transport is used. This equation takes into account the effect of wind, atmospheric diffusion, the power of emission source, as well as the movement of the source of emission (depressurized tank on the process of pollutant dispersion. When carrying out computing experiment one also takes into account the profile of the speed of the wind flow. For the numerical integration of pollutant transport in the atmosphere implicit finite-difference splitting scheme is used. The numerical calculation is divided into four steps of splitting and at each step of splitting the unknown value of the concentration of hazardous substance is determined by the explicit running account scheme. On the basis of the numerical model it was created the code using the algorithmic language FORTRAN. One conducted the computational experiments to assess the level of air pollution near the railway station «Illarionovo» in the event of a possible accident during transportation of ammonia. Findings. The proposed model allows you to quickly calculate the air pollution after the emission of chemically hazardous substance, taking into account the motion of the emission source. The model makes it possible to determine the size of the land surface pollution zones and the amount of pollutants deposited on a specific area. Using the developed numerical model it was estimated the environmental damage near the railway station «Illarionovo». Originality. One can use the numerical model to calculate the size and intensity of the chemical contamination zones after accidents on transport. Practical value

Numerical simulation of fluid flow in microporous media

International Nuclear Information System (INIS)

Xu Ruina; Jiang Peixue

2008-01-01

The flow characteristics of water and air in microporous media with average diameters of 200 μm, 125 μm, 90 μm, 40 μm, 20 μm, and 10 μm were studied numerically. The calculated friction factors for water and air in the non-slip-flow regime in the microporous media agree well with the known correlation suitable for normal size porous media. The numerically predicted friction factors for air in the slip-flow regime in the microporous media with 90 μm, 40 μm, 20 μm, and 10 μm diameter particles were less than the correlation for normal size porous media but close to experimental data and a modified correlation that accounts for rarefaction. Comparisons of the numerical results with the experimental data and the modified correlations show that rarefaction effects occur in air flows in the microporous media with particle diameters less than 90 μm and that the numerical calculations with velocity slip on the boundary can properly simulate the fluid flow in microporous media

Numerical Simulation of Partially-Coherent Broadband Optical Imaging Using the FDTD Method

Science.gov (United States)

Çapoğlu, İlker R.; White, Craig A.; Rogers, Jeremy D.; Subramanian, Hariharan; Taflove, Allen; Backman, Vadim

2012-01-01

Rigorous numerical modeling of optical systems has attracted interest in diverse research areas ranging from biophotonics to photolithography. We report the full-vector electromagnetic numerical simulation of a broadband optical imaging system with partially-coherent and unpolarized illumination. The scattering of light from the sample is calculated using the finite-difference time-domain (FDTD) numerical method. Geometrical optics principles are applied to the scattered light to obtain the intensity distribution at the image plane. Multilayered object spaces are also supported by our algorithm. For the first time, numerical FDTD calculations are directly compared to and shown to agree well with broadband experimental microscopy results. PMID:21540939

FORECASTING PILE SETTLEMENT ON CLAYSTONE USING NUMERICAL AND ANALYTICAL METHODS

Directory of Open Access Journals (Sweden)

Ponomarev Andrey Budimirovich

2016-06-01

Full Text Available In the article the problem of designing pile foundations on claystones is reviewed. The purpose of this paper is comparative analysis of the analytical and numerical methods for forecasting the settlement of piles on claystones. The following tasks were solved during the study: 1 The existing researches of pile settlement are analyzed; 2 The characteristics of experimental studies and the parameters for numerical modeling are presented, methods of field research of single piles’ operation are described; 3 Calculation of single pile settlement is performed using numerical methods in the software package Plaxis 2D and analytical method according to the requirements SP 24.13330.2011; 4 Experimental data is compared with the results of analytical and numerical calculations; 5 Basing on these results recommendations for forecasting pile settlement on claystone are presented. Much attention is paid to the calculation of pile settlement considering the impacted areas in ground space beside pile and the comparison with the results of field experiments. Basing on the obtained results, for the prediction of settlement of single pile on claystone the authors recommend using the analytical method considered in SP 24.13330.2011 with account for the impacted areas in ground space beside driven pile. In the case of forecasting the settlement of single pile on claystone by numerical methods in Plaxis 2D the authors recommend using the Hardening Soil model considering the impacted areas in ground space beside the driven pile. The analyses of the results and calculations are presented for examination and verification; therefore it is necessary to continue the research work of deep foundation at another experimental sites to improve the reliability of the calculation of pile foundation settlement. The work is of great interest for geotechnical engineers engaged in research, design and construction of pile foundations.

A numerical analysis and experimental demonstration of a low degradation conductive bridge resistive memory device

KAUST Repository

Berco, Dan

2017-10-23

This study investigates a low degradation metal-ion conductive bridge RAM (CBRAM) structure. The structure is based on placing a diffusion blocking layer (DBL) between the device\\'s top electrode (TE) and the resistive switching layer (RSL), unlike conventional CBRAMs, where the TE serves as a supply reservoir for metallic species diffusing into the RSL to form a conductive filament (CF) and is kept in direct contact with the RSL. The properties of a conventional CBRAM structure (Cu/HfO2/TiN), having a Cu TE, 10 nm HfO2 RSL, and a TiN bottom electrode, are compared with a 2 nm TaN DBL incorporating structure (Cu/TaN/HfO2/TiN) for 103 programming and erase simulation cycles. The low and high resistive state values for each cycle are calculated and the analysis reveals that adding the DBL yields lower degradation. In addition, the 2D distribution plots of oxygen vacancies, O ions, and Cu species within the RSL indicate that oxidation occurring in the DBL-RSL interface results in the formation of a sub-stoichiometric tantalum oxynitride with higher blocking capabilities that suppresses further Cu insertion beyond an initial CF formation phase, as well as CF lateral widening during cycling. The higher endurance of the structure with DBL may thus be attributed to the relatively low amount of Cu migrating into the RSL during the initial CF formation. Furthermore, this isomorphic CF displays similar cycling behavior to neural ionic channels. The results of numerical analysis show a good match to experimental measurements of similar device structures as well

A numerical analysis and experimental demonstration of a low degradation conductive bridge resistive memory device

KAUST Repository

Berco, Dan; Chand, Umesh; Fariborzi, Hossein

2017-01-01

This study investigates a low degradation metal-ion conductive bridge RAM (CBRAM) structure. The structure is based on placing a diffusion blocking layer (DBL) between the device's top electrode (TE) and the resistive switching layer (RSL), unlike conventional CBRAMs, where the TE serves as a supply reservoir for metallic species diffusing into the RSL to form a conductive filament (CF) and is kept in direct contact with the RSL. The properties of a conventional CBRAM structure (Cu/HfO2/TiN), having a Cu TE, 10 nm HfO2 RSL, and a TiN bottom electrode, are compared with a 2 nm TaN DBL incorporating structure (Cu/TaN/HfO2/TiN) for 103 programming and erase simulation cycles. The low and high resistive state values for each cycle are calculated and the analysis reveals that adding the DBL yields lower degradation. In addition, the 2D distribution plots of oxygen vacancies, O ions, and Cu species within the RSL indicate that oxidation occurring in the DBL-RSL interface results in the formation of a sub-stoichiometric tantalum oxynitride with higher blocking capabilities that suppresses further Cu insertion beyond an initial CF formation phase, as well as CF lateral widening during cycling. The higher endurance of the structure with DBL may thus be attributed to the relatively low amount of Cu migrating into the RSL during the initial CF formation. Furthermore, this isomorphic CF displays similar cycling behavior to neural ionic channels. The results of numerical analysis show a good match to experimental measurements of similar device structures as well

A numerical analysis and experimental demonstration of a low degradation conductive bridge resistive memory device

Science.gov (United States)

Berco, Dan; Chand, Umesh; Fariborzi, Hossein

2017-10-01

This study investigates a low degradation metal-ion conductive bridge RAM (CBRAM) structure. The structure is based on placing a diffusion blocking layer (DBL) between the device's top electrode (TE) and the resistive switching layer (RSL), unlike conventional CBRAMs, where the TE serves as a supply reservoir for metallic species diffusing into the RSL to form a conductive filament (CF) and is kept in direct contact with the RSL. The properties of a conventional CBRAM structure (Cu/HfO2/TiN), having a Cu TE, 10 nm HfO2 RSL, and a TiN bottom electrode, are compared with a 2 nm TaN DBL incorporating structure (Cu/TaN/HfO2/TiN) for 103 programming and erase simulation cycles. The low and high resistive state values for each cycle are calculated and the analysis reveals that adding the DBL yields lower degradation. In addition, the 2D distribution plots of oxygen vacancies, O ions, and Cu species within the RSL indicate that oxidation occurring in the DBL-RSL interface results in the formation of a sub-stoichiometric tantalum oxynitride with higher blocking capabilities that suppresses further Cu insertion beyond an initial CF formation phase, as well as CF lateral widening during cycling. The higher endurance of the structure with DBL may thus be attributed to the relatively low amount of Cu migrating into the RSL during the initial CF formation. Furthermore, this isomorphic CF displays similar cycling behavior to neural ionic channels. The results of numerical analysis show a good match to experimental measurements of similar device structures as well.

Colocalization analysis in fluorescence micrographs: verification of a more accurate calculation of pearson's correlation coefficient.

Science.gov (United States)

Barlow, Andrew L; Macleod, Alasdair; Noppen, Samuel; Sanderson, Jeremy; Guérin, Christopher J

2010-12-01

One of the most routine uses of fluorescence microscopy is colocalization, i.e., the demonstration of a relationship between pairs of biological molecules. Frequently this is presented simplistically by the use of overlays of red and green images, with areas of yellow indicating colocalization of the molecules. Colocalization data are rarely quantified and can be misleading. Our results from both synthetic and biological datasets demonstrate that the generation of Pearson's correlation coefficient between pairs of images can overestimate positive correlation and fail to demonstrate negative correlation. We have demonstrated that the calculation of a thresholded Pearson's correlation coefficient using only intensity values over a determined threshold in both channels produces numerical values that more accurately describe both synthetic datasets and biological examples. Its use will bring clarity and accuracy to colocalization studies using fluorescent microscopy.

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Dhakal, Tilak Raj [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-02-27

computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.

Fast numerical algorithm for the linear canonical transform.

Science.gov (United States)

Hennelly, Bryan M; Sheridan, John T

2005-05-01

The linear canonical transform (LCT) describes the effect of any quadratic phase system (QPS) on an input optical wave field. Special cases of the LCT include the fractional Fourier transform (FRT), the Fourier transform (FT), and the Fresnel transform (FST) describing free-space propagation. Currently there are numerous efficient algorithms used (for purposes of numerical simulation in the area of optical signal processing) to calculate the discrete FT, FRT, and FST. All of these algorithms are based on the use of the fast Fourier transform (FFT). In this paper we develop theory for the discrete linear canonical transform (DLCT), which is to the LCT what the discrete Fourier transform (DFT) is to the FT. We then derive the fast linear canonical transform (FLCT), an N log N algorithm for its numerical implementation by an approach similar to that used in deriving the FFT from the DFT. Our algorithm is significantly different from the FFT, is based purely on the properties of the LCT, and can be used for FFT, FRT, and FST calculations and, in the most general case, for the rapid calculation of the effect of any QPS.

Numerical calculation of radiation pattern of plasma channel antenna

International Nuclear Information System (INIS)

Xia Xinren; Yin Chengyou

2010-01-01

The idea of plasma channel antenna (PCA) for high power microwave weapon is presented in this paper. The radiation pattern of PCA is calculated. The directivity functions of general antenna are derived. The near electromagnetic model of PCA is created based on physical circumstances. The electromagnetic fields of PCA and surrounding air in cylindrical coordinate are given. The dispersion equation of PCA is deduced by applying the boundary conditions of electromagnetic fields. The surface wave vector of PCA is achieved. The variations of radiation characteristic with plasma density, antenna length and antenna radius are emphatically discussed. The controllability of PCA's radiation patterns is confirmed. (authors)

Numerical calculation of ion polarization in the NICA collider

Science.gov (United States)

Kovalenko, A. D.; Butenko, A. V.; Kekelidze, V. D.; Mikhaylov, V. A.; Kondratenko, M. A.; Kondratenko, A. M.; Filatov, Yu N.

2016-02-01

The NICA Collider with two solenoid Siberian snakes is “transparent” to the spin. The collider transparent to the spin provides a unique capability to control any polarization direction of protons and deuterons using additional weak solenoids without affecting orbital parameters of the beam. The spin tune induced by the control solenoids must significantly exceed the strength of the zero-integer spin resonance, which contains a coherent part associated with errors in the collider's magnetic structure and an incoherent part associated with the beam emittances. We present calculations of the coherent part of the resonance strength in the NICA collider for proton and deuteron beams.

Numerical calculation of ion polarization in the NICA collider

International Nuclear Information System (INIS)

Kovalenko, A D; Butenko, A V; Kekelidze, V D; Mikhaylov, V A; Filatov, Yu N; Kondratenko, M A; Kondratenko, A M

2016-01-01

The NICA Collider with two solenoid Siberian snakes is “transparent” to the spin. The collider transparent to the spin provides a unique capability to control any polarization direction of protons and deuterons using additional weak solenoids without affecting orbital parameters of the beam. The spin tune induced by the control solenoids must significantly exceed the strength of the zero-integer spin resonance, which contains a coherent part associated with errors in the collider's magnetic structure and an incoherent part associated with the beam emittances. We present calculations of the coherent part of the resonance strength in the NICA collider for proton and deuteron beams. (paper)

Rain Scattering and Co-ordinate Distance Calculation

Directory of Open Access Journals (Sweden)

M. Hajny

1998-12-01

Full Text Available Calculations of scattered field on the rain objects are based on using of Multiple MultiPole (MMP numerical method. Both bi-static scattering function and bi-static scattering cross section are calculated in the plane parallel to Earth surface. The co-ordination area was determined using the simple model of scattering volume [1]. Calculation for frequency 9.595 GHz and antenna elevation of 25° was done. Obtained results are compared with calculation in accordance to ITU-R recommendation.

Using computer-assisted demonstrations of optical phenomena in an undergraduate optics course

Science.gov (United States)

Tarvin, John T.; Cobb, Stephen H.; Beyer, Louis M.

1995-10-01

A set of computer programs has been developed for the visual presentation of introductory optical phenomena. These computer simulations were created to serve a dual purpose: as demonstration aids in an NSF-sponsored Optics Demonstration Laboratory, and as teaching aids in undergraduate geometrical and physical optics courses. In the field of diffractive optics, simulations include the calculation of intensity patterns for unobscured and obscured apertures in both rectangular and circular geometries. These patterns can be compared to those measured in the laboratory with a CCD camera. A program for calculating the diffraction pattern for a two-dimensional aperture of arbitrary shape has also been developed. These programs, when coordinated with homework assignments, allow students to compare their theoretical derivations with a correct numerical solution for the same problem. In the field of geometrical optics, a ray-trace program appropriate for gradient-index fibers with cylindrical symmetry has been developed. This program enables the student to study the focusing properties of such fibers, and to predict how such properties depend on the index profile and on the length of the optical fiber. Examples of these programs will be presented, along with a report on the success of these programs as a vehicle for imparting a conceptual understanding of the physical principles involved.

Multi-level iteration optimization for diffusive critical calculation

International Nuclear Information System (INIS)

Li Yunzhao; Wu Hongchun; Cao Liangzhi; Zheng Youqi

2013-01-01

In nuclear reactor core neutron diffusion calculation, there are usually at least three levels of iterations, namely the fission source iteration, the multi-group scattering source iteration and the within-group iteration. Unnecessary calculations occur if the inner iterations are converged extremely tight. But the convergence of the outer iteration may be affected if the inner ones are converged insufficiently tight. Thus, a common scheme suit for most of the problems was proposed in this work to automatically find the optimized settings. The basic idea is to optimize the relative error tolerance of the inner iteration based on the corresponding convergence rate of the outer iteration. Numerical results of a typical thermal neutron reactor core problem and a fast neutron reactor core problem demonstrate the effectiveness of this algorithm in the variational nodal method code NODAL with the Gauss-Seidel left preconditioned multi-group GMRES algorithm. The multi-level iteration optimization scheme reduces the number of multi-group and within-group iterations respectively by a factor of about 1-2 and 5-21. (authors)

Benchmark calculations of thermal reaction rates. I - Quantal scattering theory

Science.gov (United States)

Chatfield, David C.; Truhlar, Donald G.; Schwenke, David W.

1991-01-01

The thermal rate coefficient for the prototype reaction H + H2 yields H2 + H with zero total angular momentum is calculated by summing, averaging, and numerically integrating state-to-state reaction probabilities calculated by time-independent quantum-mechanical scattering theory. The results are very carefully converged with respect to all numerical parameters in order to provide high-precision benchmark results for confirming the accuracy of new methods and testing their efficiency.

A numerical calculation method for flow discretisation in complex geometry with body-fitted grids; Rechenverfahren zur Diskretisierung von Stroemungen in komplexer Geometrie mittels koerperangepasster Gitter

Energy Technology Data Exchange (ETDEWEB)

Jin, X.

2001-04-01

A numerical calculation method basing on body fitted grids is developed in this work for computational fluid dynamics in complex geometry. The method solves the conservation equations in a general nonorthogonal coordinate system which matches the curvilinear boundary. The nonorthogonal, patched grid is generated by a grid generator which solves algebraic equations. By means of an interface its geometrical data can be used by this method. The conservation equations are transformed from the Cartesian system to a general curvilinear system keeping the physical Cartesian velocity components as dependent variables. Using a staggered arrangement of variables, the three Cartesian velocity components are defined on every cell surface. Thus the coupling between pressure and velocity is ensured, and numerical oscillations are avoided. The contravariant velocity for calculating mass flux on one cell surface is resulting from dependent Cartesian velocity components. After the discretisation and linear interpolation, a three dimensional 19-point pressure equation is found. Using the explicit treatment for cross-derivative terms, it reduces to the usual 7-point equation. Under the same data and process structure, this method is compatible with the code FLUTAN using Cartesian coordinates. In order to verify this method, several laminar flows are simulated in orthogonal grids at tilted space directions and in nonorthogonal grids with variations of cell angles. The simulated flow types are considered like various duct flows, transient heat conduction, natural convection in a chimney and natural convection in cavities. Their results achieve very good agreement with analytical solutions or empirical data. Convergence for highly nonorthogonal grids is obtained. After the successful validation of this method, it is applied for a reactor safety case. A transient natural convection flow for an optional sump cooling concept SUCO is simulated. The numerical result is comparable with the

Development of CAD implementing the algorithm of boundary elements’ numerical analytical method

Directory of Open Access Journals (Sweden)

Yulia V. Korniyenko

2015-03-01

Full Text Available Up to recent days the algorithms for numerical-analytical boundary elements method had been implemented with programs written in MATLAB environment language. Each program had a local character, i.e. used to solve a particular problem: calculation of beam, frame, arch, etc. Constructing matrices in these programs was carried out “manually” therefore being time-consuming. The research was purposed onto a reasoned choice of programming language for new CAD development, allows to implement algorithm of numerical analytical boundary elements method and to create visualization tools for initial objects and calculation results. Research conducted shows that among wide variety of programming languages the most efficient one for CAD development, employing the numerical analytical boundary elements method algorithm, is the Java language. This language provides tools not only for development of calculating CAD part, but also to build the graphic interface for geometrical models construction and calculated results interpretation.

Hamming generalized corrector for reactivity calculation

International Nuclear Information System (INIS)

Suescun-Diaz, Daniel; Ibarguen-Gonzalez, Maria C.; Figueroa-Jimenez, Jorge H.

2014-01-01

This work presents the Hamming method generalized corrector for numerically resolving the differential equation of delayed neutron precursor concentration from the point kinetics equations for reactivity calculation, without using the nuclear power history or the Laplace transform. A study was carried out of several correctors with their respective modifiers with different time step calculations, to offer stability and greater precision. Better results are obtained for some correctors than with other existing methods. Reactivity can be calculated with precision of the order h 5 , where h is the time step. (orig.)

Introduction to calculations of recuperators

International Nuclear Information System (INIS)

Dollar, M.

1977-01-01

Physical principles of heat transfer between fluid under turbulent flow conditions and a wall of a duct are described. The methods of calculations of heat transfer coefficient and the theory of recuperative heat exchangers are presented. Numerical examples are given to illustrate the theory. (author)

Underestimation of nuclear fuel burnup – theory, demonstration and solution in numerical models

Directory of Open Access Journals (Sweden)

Gajda Paweł

2016-01-01

Full Text Available Monte Carlo methodology provides reference statistical solution of neutron transport criticality problems of nuclear systems. Estimated reaction rates can be applied as an input to Bateman equations that govern isotopic evolution of reactor materials. Because statistical solution of Boltzmann equation is computationally expensive, it is in practice applied to time steps of limited length. In this paper we show that simple staircase step model leads to underprediction of numerical fuel burnup (Fissions per Initial Metal Atom – FIMA. Theoretical considerations indicates that this error is inversely proportional to the length of the time step and origins from the variation of heating per source neutron. The bias can be diminished by application of predictor-corrector step model. A set of burnup simulations with various step length and coupling schemes has been performed. SERPENT code version 1.17 has been applied to the model of a typical fuel assembly from Pressurized Water Reactor. In reference case FIMA reaches 6.24% that is equivalent to about 60 GWD/tHM of industrial burnup. The discrepancies up to 1% have been observed depending on time step model and theoretical predictions are consistent with numerical results. Conclusions presented in this paper are important for research and development concerning nuclear fuel cycle also in the context of Gen4 systems.

Calculating Quenching Weights

CERN Document Server

Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim

2003-01-01

We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...

Appropriateness of one-dimensional calculations for repository analysis

International Nuclear Information System (INIS)

Eaton, R.R.

1994-01-01

This paper brings into focus the results of numerous studies that have addressed issues associated with the validity of assumptions which are used to justify reducing the dimensionality of numerical calculations of water flow through Yucca Mountain, NV. It is shown that in many cases, one-dimensional modeling is more rigorous than previously assumed

Numerical models for high beta magnetohydrodynamic flow

International Nuclear Information System (INIS)

Brackbill, J.U.

1987-01-01

The fundamentals of numerical magnetohydrodynamics for highly conducting, high-beta plasmas are outlined. The discussions emphasize the physical properties of the flow, and how elementary concepts in numerical analysis can be applied to the construction of finite difference approximations that capture these features. The linear and nonlinear stability of explicit and implicit differencing in time is examined, the origin and effect of numerical diffusion in the calculation of convective transport is described, and a technique for maintaining solenoidality in the magnetic field is developed. Many of the points are illustrated by numerical examples. The techniques described are applicable to the time-dependent, high-beta flows normally encountered in magnetically confined plasmas, plasma switches, and space and astrophysical plasmas. 40 refs

Power and thermal efficient numerical processing

DEFF Research Database (Denmark)

Liu, Wei; Nannarelli, Alberto

2015-01-01

Numerical processing is at the core of applications in many areas ranging from scientific and engineering calculations to financial computing. These applications are usually executed on large servers or supercomputers to exploit their high speed, high level of parallelism and high bandwidth...

Three-dimensional calculations of charge neutralization by neutral gas release

International Nuclear Information System (INIS)

Mandell, M.J.; Jongeward, G.A.; Katz, I.

1993-01-01

There have been numerous observations of high rocket or spacecraft potentials, both positive and negative, and both naturally and artificially induced, being neutralized during thruster firings. Two current studies, CHARGE-2B (positive polarity) and SPEAR3 (negative polarity), attempt a more systematic exploration of this phenomenon. The authors present here calculations performed in support of the SPEAR-3 program. (1) Conventional phenomenology of breakdown is applied to the three-dimensional system formed by the electrostatic potential and plume density fields. Using real cross sections, they calculate the paths along which the nozzle plume can support breakdown. This leads to a recommendation that the higher flow rate on SPEAR-3 be 2 g/s of argon, equal to the CHARGE-2B flow rate. (2) In a laboratory chamber, conditions (pressure of ∼ 2 x 10 - 5 torr) favor breakdown of the positive (electron-collecting) sheath for SPEAR-3 geometry. Three-dimensional calculations illustrate the evolution of the space charge and potential structure during the breakdown process. These calculations demonstrate the ability to apply accepted phenomenology to real systems with three dimensional electrostatic potential fields, space charge fields, and neutral density fields, including magnetic field effects and real cross-section data

Fast Time-Dependent Density Functional Theory Calculations of the X-ray Absorption Spectroscopy of Large Systems.

Science.gov (United States)

Besley, Nicholas A

2016-10-11

The computational cost of calculations of K-edge X-ray absorption spectra using time-dependent density functional (TDDFT) within the Tamm-Dancoff approximation is significantly reduced through the introduction of a severe integral screening procedure that includes only integrals that involve the core s basis function of the absorbing atom(s) coupled with a reduced quality numerical quadrature for integrals associated with the exchange and correlation functionals. The memory required for the calculations is reduced through construction of the TDDFT matrix within the absorbing core orbitals excitation space and exploiting further truncation of the virtual orbital space. The resulting method, denoted fTDDFTs, leads to much faster calculations and makes the study of large systems tractable. The capability of the method is demonstrated through calculations of the X-ray absorption spectra at the carbon K-edge of chlorophyll a, C 60 and C 70 .

Calculation of three-dimensional groundwater transport using second-order moments

International Nuclear Information System (INIS)

Pepper, D.W.; Stephenson, D.E.

1987-01-01

Groundwater transport of contaminants from the F-Area seepage basin at the Savannah River Plant (SRP) was calculated using a three-dimensional, second-order moment technique. The numerical method calculates the zero, first, and second moment distributions of concentration within a cell volume. By summing the moments over the entire solution domain, and using a Lagrangian advection scheme, concentrations are transported without numerical dispersion errors. Velocities obtained from field tests are extrapolated and interpolated to all nodal points; a variational analysis is performed over the three-dimensional velocity field to ensure mass consistency. Transport predictions are calculated out to 12,000 days. 28 refs., 9 figs

Direct numerical methods of mathematical modeling in mechanical structural design

International Nuclear Information System (INIS)

Sahili, Jihad; Verchery, Georges; Ghaddar, Ahmad; Zoaeter, Mohamed

2002-01-01

Full text.Structural design and numerical methods are generally interactive; requiring optimization procedures as the structure is analyzed. This analysis leads to define some mathematical terms, as the stiffness matrix, which are resulting from the modeling and then used in numerical techniques during the dimensioning procedure. These techniques and many others involve the calculation of the generalized inverse of the stiffness matrix, called also the 'compliance matrix'. The aim of this paper is to introduce first, some different existing mathematical procedures, used to calculate the compliance matrix from the stiffness matrix, then apply direct numerical methods to solve the obtained system with the lowest computational time, and to compare the obtained results. The results show a big difference of the computational time between the different procedures

The numerical solution of boundary value problems over an infinite domain

International Nuclear Information System (INIS)

Shepherd, M.; Skinner, R.

1976-01-01

A method is presented for the numerical solution of boundary value problems over infinite domains. An example that illustrates also the strength and accuracy of a numerical procedure for calculating Green's functions is described in detail

Ionization efficiency calculations for cavity thermoionization ion source

International Nuclear Information System (INIS)

Turek, M.; Pyszniak, K.; Drozdziel, A.; Sielanko, J.; Maczka, D.; Yuskevich, Yu.V.; Vaganov, Yu.A.

2009-01-01

The numerical model of ionization in a thermoionization ion source is presented. The review of ion source ionization efficiency calculation results for various kinds of extraction field is given. The dependence of ionization efficiency on working parameters like ionizer length and extraction voltage is discussed. Numerical simulations results are compared to theoretical predictions obtained from a simplified ionization model

Unsteady State Two Phase Flow Pressure Drop Calculations

OpenAIRE

Ayatollahi, Shahaboddin

1992-01-01

A method is presented to calculate unsteady state two phase flow in a gas-liquid line based on a quasi-steady state approach. A computer program for numerical solution of this method was prepared. Results of calculations using the computer program are presented for several unsteady state two phase flow systems

Numerical computation of molecular integrals via optimized (vectorized) FORTRAN code

International Nuclear Information System (INIS)

Scott, T.C.; Grant, I.P.; Saunders, V.R.

1997-01-01

The calculation of molecular properties based on quantum mechanics is an area of fundamental research whose horizons have always been determined by the power of state-of-the-art computers. A computational bottleneck is the numerical calculation of the required molecular integrals to sufficient precision. Herein, we present a method for the rapid numerical evaluation of molecular integrals using optimized FORTRAN code generated by Maple. The method is based on the exploitation of common intermediates and the optimization can be adjusted to both serial and vectorized computations. (orig.)

An adaptive sampling scheme for deep-penetration calculation

International Nuclear Information System (INIS)

Wang, Ruihong; Ji, Zhicheng; Pei, Lucheng

2013-01-01

As we know, the deep-penetration problem has been one of the important and difficult problems in shielding calculation with Monte Carlo Method for several decades. In this paper, an adaptive Monte Carlo method under the emission point as a sampling station for shielding calculation is investigated. The numerical results show that the adaptive method may improve the efficiency of the calculation of shielding and might overcome the under-estimation problem easy to happen in deep-penetration calculation in some degree

Numerical method of singular problems on singular integrals

International Nuclear Information System (INIS)

Zhao Huaiguo; Mou Zongze

1992-02-01

As first part on the numerical research of singular problems, a numerical method is proposed for singular integrals. It is shown that the procedure is quite powerful for solving physics calculation with singularity such as the plasma dispersion function. Useful quadrature formulas for some class of the singular integrals are derived. In general, integrals with more complex singularities can be dealt by this method easily

A numerical simulation of pre-big bang cosmology

CERN Document Server

Maharana, J P; Veneziano, Gabriele

1998-01-01

We analyse numerically the onset of pre-big bang inflation in an inhomogeneous, spherically symmetric Universe. Adding a small dilatonic perturbation to a trivial (Milne) background, we find that suitable regions of space undergo dilaton-driven inflation and quickly become spatially flat ($\\Omega \\to 1$). Numerical calculations are pushed close enough to the big bang singularity to allow cross checks against previously proposed analytic asymptotic solutions.

A calculation strategy for the determination of the temperature distribution in radioactive waste repositories

International Nuclear Information System (INIS)

Hahne, K.; Biurrun, E.

1989-01-01

In the past many calculation tools have been developed for the determination of instationary temperature distributions in radioactive waste repositories (single source model/large scale model/unit cell model using analytical or numerical methods; overall model using analytical or numerical methods). This paper discusses how, in practice, all these calculation tools have to be associated sensibly in a special calculation strategy making use of their actual advantages

A numerical investigation of the effect of surface wettability on the boiling curve.

Directory of Open Access Journals (Sweden)

Hua-Yi Hsu

Full Text Available Surface wettability is recognized as playing an important role in pool boiling and the corresponding heat transfer curve. In this work, a systematic study of pool boiling heat transfer on smooth surfaces of varying wettability (contact angle range of 5° - 180° has been conducted and reported. Based on numerical simulations, boiling curves are calculated and boiling dynamics in each regime are studied using a volume-of-fluid method with contact angle model. The calculated trends in critical heat flux and Leidenfrost point as functions of surface wettability are obtained and compared with prior experimental and theoretical predictions, giving good agreement. For the first time, the effect of contact angle on the complete boiling curve is shown. It is demonstrated that the simulation methodology can be used for studying pool boiling and related dynamics and providing more physical insights.

Theoretical and practical study of the variance and efficiency of a Monte Carlo calculation due to Russian roulette

International Nuclear Information System (INIS)

Hoogenboom, J. E.

2004-01-01

Although Russian roulette is applied very often in Monte Carlo calculations, not much literature exists on its quantitative influence on the variance and efficiency of a Monte Carlo calculation. Elaborating on the work of Lux and Koblinger using moment equations, new relevant equations are derived to calculate the variance of a Monte Carlo simulation using Russian roulette. To demonstrate its practical application the theory is applied to a simplified transport model resulting in explicit analytical expressions for the variance of a Monte Carlo calculation and for the expected number of collisions per history. From these expressions numerical results are shown and compared with actual Monte Carlo calculations, showing an excellent agreement. By considering the number of collisions in a Monte Carlo calculation as a measure of the CPU time, also the efficiency of the Russian roulette can be studied. It opens the way for further investigations, including optimization of Russian roulette parameters. (authors)

Calculating the heat transfer coefficient of frame profiles with internal cavities

DEFF Research Database (Denmark)

Noyé, Peter Anders; Laustsen, Jacob Birck; Svendsen, Svend

2004-01-01

. The heat transfer coefficient is determined by two-dimensional numerical calculations and by measurements. Calculations are performed in Therm (LBNL (2001)), which is developed at Lawrence Berkeley National Laboratory, USA. The calculations are performed in accordance with the future European standards...... correspondence between measured and calculated values. Hence, when determining the heat transfer coefficient of frame profiles with internal cavities by calculations, it is necessary to apply a more detailed radiation exchange model than described in the prEN ISO 10077-2 standard. The ISO-standard offers......Determining the energy performance of windows requires detailed knowledge of the thermal properties of their different elements. A series of standards and guidelines exist in this area. The thermal properties of the frame can be determined either by detailed two-dimensional numerical methods...

Coincidental match of numerical simulation and physics

Science.gov (United States)

Pierre, B.; Gudmundsson, J. S.

2010-08-01

Consequences of rapid pressure transients in pipelines range from increased fatigue to leakages and to complete ruptures of pipeline. Therefore, accurate predictions of rapid pressure transients in pipelines using numerical simulations are critical. State of the art modelling of pressure transient in general, and water hammer in particular include unsteady friction in addition to the steady frictional pressure drop, and numerical simulations rely on the method of characteristics. Comparison of rapid pressure transient calculations by the method of characteristics and a selected high resolution finite volume method highlights issues related to modelling of pressure waves and illustrates that matches between numerical simulations and physics are purely coincidental.

Numerical precision control and GRACE

International Nuclear Information System (INIS)

Fujimoto, J.; Hamaguchi, N.; Ishikawa, T.; Kaneko, T.; Morita, H.; Perret-Gallix, D.; Tokura, A.; Shimizu, Y.

2006-01-01

The control of the numerical precision of large-scale computations like those generated by the GRACE system for automatic Feynman diagram calculations has become an intrinsic part of those packages. Recently, Hitachi Ltd. has developed in FORTRAN a new library HMLIB for quadruple and octuple precision arithmetic where the number of lost-bits is made available. This library has been tested with success on the 1-loop radiative correction to e + e - ->e + e - τ + τ - . It is shown that the approach followed by HMLIB provides an efficient way to track down the source of numerical significance losses and to deliver high-precision results yet minimizing computing time

Efficient numerical method for district heating system hydraulics

International Nuclear Information System (INIS)

Stevanovic, Vladimir D.; Prica, Sanja; Maslovaric, Blazenka; Zivkovic, Branislav; Nikodijevic, Srdjan

2007-01-01

An efficient method for numerical simulation and analyses of the steady state hydraulics of complex pipeline networks is presented. It is based on the loop model of the network and the method of square roots for solving the system of linear equations. The procedure is presented in the comprehensive mathematical form that could be straightforwardly programmed into a computer code. An application of the method to energy efficiency analyses of a real complex district heating system is demonstrated. The obtained results show a potential for electricity savings in pumps operation. It is shown that the method is considerably more effective than the standard Hardy Cross method still widely used in engineering practice. Because of the ease of implementation and high efficiency, the method presented in this paper is recommended for hydraulic steady state calculations of complex networks

CALCULATION OF POLLUTION DYNAMICS NEAR RAILWAY TERRITORY DURING COAL TRANSPORTATION

Directory of Open Access Journals (Sweden)

M. M. Biliaiev

2017-02-01

Full Text Available Purpose. The article is aimed to develop 3D numerical model for the prediction of atmospheric pollution during transportation of bulk cargo in the railway car. Methodology.To solve this problem, it was developed three-dimensional numerical model, based on the use of the transport equation of dust pollution in the air by the wind and atmospheric turbulent diffusion. For the numerical integration of the simulating equation of the dust transport the implicit difference scheme was used. When constructing a difference scheme, it was carried out prior splitting of the original transport equation into the sequence of solutions of three equations. The first of them takes into account the transport of dust in paths, the second equation – dust transport under the influence of atmospheric turbulent diffusion, and the third equation –change of the dust concentration in the air due to its emissions from the cars.Unknown value of the pollutant concentration at every step of splitting is determined by the explicit scheme – the method of running account, which provides a simple numerical implementation of splitting equations. The developed numerical model is the basis for specialized computer program. On the basis of the constructed numerical model we carried out a computational experiment to assess the level of air pollution at the railway station during the motion of train with coal. Findings. Authors developed 3D numerical model, which belongs to the class of «screening models». This model takes into account the main physical factors affecting the process of dispersion of dust pollution in the atmosphere during coal transportation. The proposed numerical model requires low cost of computer time in the practical implementation on small and medium-power computers. This model can be used for rapid calculations of the dynamics of air pollution when transporting coal by rail. Calculations to determine the pollutant concentration and formation of the

Numerical Modeling of Ablation Heat Transfer

Science.gov (United States)

Ewing, Mark E.; Laker, Travis S.; Walker, David T.

2013-01-01

A unique numerical method has been developed for solving one-dimensional ablation heat transfer problems. This paper provides a comprehensive description of the method, along with detailed derivations of the governing equations. This methodology supports solutions for traditional ablation modeling including such effects as heat transfer, material decomposition, pyrolysis gas permeation and heat exchange, and thermochemical surface erosion. The numerical scheme utilizes a control-volume approach with a variable grid to account for surface movement. This method directly supports implementation of nontraditional models such as material swelling and mechanical erosion, extending capabilities for modeling complex ablation phenomena. Verifications of the numerical implementation are provided using analytical solutions, code comparisons, and the method of manufactured solutions. These verifications are used to demonstrate solution accuracy and proper error convergence rates. A simple demonstration of a mechanical erosion (spallation) model is also provided to illustrate the unique capabilities of the method.

Computational Calorimetry: High-Precision Calculation of Host–Guest Binding Thermodynamics

Science.gov (United States)

2015-01-01

We present a strategy for carrying out high-precision calculations of binding free energy and binding enthalpy values from molecular dynamics simulations with explicit solvent. The approach is used to calculate the thermodynamic profiles for binding of nine small molecule guests to either the cucurbit[7]uril (CB7) or β-cyclodextrin (βCD) host. For these systems, calculations using commodity hardware can yield binding free energy and binding enthalpy values with a precision of ∼0.5 kcal/mol (95% CI) in a matter of days. Crucially, the self-consistency of the approach is established by calculating the binding enthalpy directly, via end point potential energy calculations, and indirectly, via the temperature dependence of the binding free energy, i.e., by the van’t Hoff equation. Excellent agreement between the direct and van’t Hoff methods is demonstrated for both host–guest systems and an ion-pair model system for which particularly well-converged results are attainable. Additionally, we find that hydrogen mass repartitioning allows marked acceleration of the calculations with no discernible cost in precision or accuracy. Finally, we provide guidance for accurately assessing numerical uncertainty of the results in settings where complex correlations in the time series can pose challenges to statistical analysis. The routine nature and high precision of these binding calculations opens the possibility of including measured binding thermodynamics as target data in force field optimization so that simulations may be used to reliably interpret experimental data and guide molecular design. PMID:26523125

Graded-index fiber tip optical tweezers: numerical simulation and trapping experiment.

Science.gov (United States)

Gong, Yuan; Ye, Ai-Yan; Wu, Yu; Rao, Yun-Jiang; Yao, Yao; Xiao, Song

2013-07-01

Optical fiber tweezers based on a graded-index multimode fiber (GIMMF) tip is proposed. Light propagation characteristics and gradient force distribution near the GIMMF tip are numerically investigated, which are further compared with that of optical fiber tips based on conventional single mode fibers. The simulated results indicated that by selecting optimal GIMMF length, the gradient force of the GIMMF tip tweezers is about 4 times higher than that of the SMF tip tweezers with a same shape. To prove the feasibility of such a new concept, optical trapping of yeast cells with a diameter of ~5 μm using the chemically-etched GIMMF tip is experimentally demonstrated and the trapping force is also calculated.

Numerical and Experimental Modelling of Transition in a Separated Boundary Layer on the NACA63A421 Airfoil

Directory of Open Access Journals (Sweden)

Miroslav ĎURIŠ

2010-12-01

Full Text Available The article deals with design and numerical calculation of a variable test section for small supersonic wind tunnel. The supersonic wind tunnel is designed to be driven by a supersonic ejector. The test section, which is in focus, is considered to by placed on its suction inlet. Schlieren method will be used to investigate the flow within. The purpose of the test section is to demonstrate effects, which occur in supersonic flows, e.g. shock waves, interactions of shock waves with boundary layers etc. Proper demonstration of such phenomenon requires different conditions gained within test section. Internal parts of the device are designed to be interchangeable or variable to provide this capability. The work deals with investigation and design of construction of the variable test section. Consequently, shape of the supersonic inlet nozzles for chosen Mach numbers are carried out. Methods of characteristics and CFD are employed to manage this task. The construction of the test section and obtained numerical results are presented.

Reciprocity relationships in vector acoustics and their application to vector field calculations.

Science.gov (United States)

Deal, Thomas J; Smith, Kevin B

2017-08-01

The reciprocity equation commonly stated in underwater acoustics relates pressure fields and monopole sources. It is often used to predict the pressure measured by a hydrophone for multiple source locations by placing a source at the hydrophone location and calculating the field everywhere for that source. A similar equation that governs the orthogonal components of the particle velocity field is needed to enable this computational method to be used for acoustic vector sensors. This paper derives a general reciprocity equation that accounts for both monopole and dipole sources. This vector-scalar reciprocity equation can be used to calculate individual components of the received vector field by altering the source type used in the propagation calculation. This enables a propagation model to calculate the received vector field components for an arbitrary number of source locations with a single model run for each vector field component instead of requiring one model run for each source location. Application of the vector-scalar reciprocity principle is demonstrated with analytic solutions for a range-independent environment and with numerical solutions for a range-dependent environment using a parabolic equation model.

Acceleration and parallelization calculation of EFEN-SP_3 method

International Nuclear Information System (INIS)

Yang Wen; Zheng Youqi; Wu Hongchun; Cao Liangzhi; Li Yunzhao

2013-01-01

Due to the fact that the exponential function expansion nodal-SP_3 (EFEN-SP_3) method needs further improvement in computational efficiency to routinely carry out PWR whole core pin-by-pin calculation, the coarse mesh acceleration and spatial parallelization were investigated in this paper. The coarse mesh acceleration was built by considering discontinuity factor on each coarse mesh interface and preserving neutron balance within each coarse mesh in space, angle and energy. The spatial parallelization based on MPI was implemented by guaranteeing load balancing and minimizing communications cost to fully take advantage of the modern computing and storage abilities. Numerical results based on a commercial nuclear power reactor demonstrate an speedup ratio of about 40 for the coarse mesh acceleration and a parallel efficiency of higher than 60% with 40 CPUs for the spatial parallelization. With these two improvements, the EFEN code can complete a PWR whole core pin-by-pin calculation with 289 × 289 × 218 meshes and 4 energy groups within 100 s by using 48 CPUs (2.40 GHz frequency). (authors)

Development of a numerical model for calculating exposure to toxic and nontoxic stressors in the water column and sediment from drilling discharges.

Science.gov (United States)

Rye, Henrik; Reed, Mark; Frost, Tone Karin; Smit, Mathijs G D; Durgut, Ismail; Johansen, Øistein; Ditlevsen, May Kristin

2008-04-01

Drilling discharges are complex mixtures of chemical components and particles which might lead to toxic and nontoxic stress in the environment. In order to be able to evaluate the potential environmental consequences of such discharges in the water column and in sediments, a numerical model was developed. The model includes water column stratification, ocean currents and turbulence, natural burial, bioturbation, and biodegradation of organic matter in the sediment. Accounting for these processes, the fate of the discharge is modeled for the water column, including near-field mixing and plume motion, far-field mixing, and transport. The fate of the discharge is also modeled for the sediment, including sea floor deposition, and mixing due to bioturbation. Formulas are provided for the calculation of suspended matter and chemical concentrations in the water column, and burial, change in grain size, oxygen depletion, and chemical concentrations in the sediment. The model is fully 3-dimensional and time dependent. It uses a Lagrangian approach for the water column based on moving particles that represent the properties of the release and an Eulerian approach for the sediment based on calculation of the properties of matter in a grid. The model will be used to calculate the environmental risk, both in the water column and in sediments, from drilling discharges. It can serve as a tool to define risk mitigating measures, and as such it provides guidance towards the "zero harm" goal.

Shielding calculations using computer techniques; Calculo de blindajes mediante tecnicas de computacion

Energy Technology Data Exchange (ETDEWEB)

Gonzalez Portilla, M. I.; Marquez, J.

2011-07-01

Radiological protection aims to limit the ionizing radiation received by people and equipment, which in numerous occasions requires of protection shields. Although, for certain configurations, there are analytical formulas, to characterize these shields, the design setup may be very intensive in numerical calculations, therefore the most efficient from to design the shields is by means of computer programs to calculate dose and dose rates. In the present article we review the codes most frequently used to perform these calculations, and the techniques used by such codes. (Author) 13 refs.

Static Q anti Q force from instanton gas and numerical lattice calculations

International Nuclear Information System (INIS)

Ilgenfrits, E.M.; Mueller-Preussker, M.

1982-01-01

Lattice Monte Carlo calculation predictions for the static strength between quarks are compared with the results obtained in the framework of instanton gas model and a typical instanton size is determined. Yang-Mills theory data for different ratios of Wilson loops in case of SU(3) for the string tension are presented. The instanton corrections to perturbation strength turn to be essential to reach an agreement with obtained by lattice calculations data inside the small-distance region up to approximately 0.3 fm. Arguments in favour of the statement that data difference in this region from the phenomenologically known value is connected with the notion of infinitely heavy quarks but not with neglect of virtual quark loops are presented

Dynamically Adapted Mesh Construction for the Efficient Numerical Solution of a Singular Perturbed Reaction-diffusion-advection Equation

Directory of Open Access Journals (Sweden)

Dmitry V. Lukyanenko

2017-01-01

Full Text Available This  work develops  a theory  of the  asymptotic-numerical investigation of the  moving fronts  in reaction-diffusion-advection models.  By considering  the  numerical  solution  of the  singularly perturbed Burgers’s  equation  we discuss a method  of dynamically  adapted mesh  construction that is able to significantly  improve  the  numerical  solution  of this  type of equations.  For  the  construction we use a priori information that is based  on the  asymptotic analysis  of the  problem.  In  particular, we take  into account the information about  the speed of the transition layer, its width  and structure. Our algorithms  are able to reduce significantly complexity and enhance stability of the numerical  calculations in comparison  with classical approaches for solving this class of problems.  The numerical  experiment is presented to demonstrate the effectiveness of the proposed  method.The article  is published  in the authors’  wording. 

Dose calculation for electrons

International Nuclear Information System (INIS)

Hirayama, Hideo

1995-01-01

The joint working group of ICRP/ICRU is advancing the works of reviewing the ICRP publication 51 by investigating the data related to radiation protection. In order to introduce the 1990 recommendation, it has been demanded to carry out calculation for neutrons, photons and electrons. As for electrons, EURADOS WG4 (Numerical Dosimetry) rearranged the data to be calculated at the meeting held in PTB Braunschweig in June, 1992, and the question and request were presented by Dr. J.L. Chartier, the responsible person, to the researchers who are likely to undertake electron transport Monte Carlo calculation. The author also has carried out the requested calculation as it was the good chance to do the mutual comparison among various computation codes regarding electron transport calculation. The content that the WG requested to calculate was the absorbed dose at depth d mm when parallel electron beam enters at angle α into flat plate phantoms of PMMA, water and ICRU4-element tissue, which were placed in vacuum. The calculation was carried out by the versatile electron-photon shower computation Monte Carlo code, EGS4. As the results, depth dose curves and the dependence of absorbed dose on electron energy, incident angle and material are reported. The subjects to be investigated are pointed out. (K.I.)

Numerical calculation of transient field effects in quenching superconducting magnets

CERN Document Server

Schwerg, Nikolai; Russenschuck, Stephan

2009-01-01

The maximum obtainable magnetic induction of accelerator magnets, relying on normal conducting cables and iron poles, is limited to around 2 T because of ohmic losses and iron saturation. Using superconducting cables, and employing permeable materials merely to reduce the fringe field, this limit can be exceeded and fields of more than 10 T can be obtained. A quench denotes the sudden transition from the superconducting to the normal conducting state. The drastic increase in electrical resistivity causes ohmic heating. The dissipated heat yields a temperature rise in the coil and causes the quench to propagate. The resulting high voltages and excessive temperatures can result in an irreversible damage of the magnet - to the extend of a cable melt-down. The quench behavior of a magnet depends on numerous factors, e.g. the magnet design, the applied magnet protection measures, the external electrical network, electrical and thermal material properties, and induced eddy current losses. The analysis and optimizat...

Numerical calculation models of the elastoplastic response of a structure under seismic action

International Nuclear Information System (INIS)

Edjtemai, Nima.

1982-06-01

Two digital calculation models developed in this work have made it possible to analyze the exact dynamic behaviour of ductile structures with one or several degrees of liberty, during earthquakes. With the first model, response spectra were built in the linear and non-linear fields for different absorption and ductility values and two types of seismic accelerograms. The comparative study of these spectra made it possible to check the validity of certain hypotheses suggested for the construction of elastoplastic spectra from corresponding linear spectra. A simplified method of non-linear seismic calculation based on the modal analysis and the spectra of elastoplastic response was then applied to structures with a varying number of degrees of liberty. The results obtained in this manner were compared with those provided by an exact calculation provided by the second digital model developed by us [fr

Broyden's method in nuclear structure calculations

International Nuclear Information System (INIS)

Baran, Andrzej; Bulgac, Aurel; Forbes, Michael McNeil; Hagen, Gaute; Nazarewicz, Witold; Schunck, Nicolas; Stoitsov, Mario V.

2008-01-01

Broyden's method, widely used in quantum chemistry electronic-structure calculations for the numerical solution of nonlinear equations in many variables, is applied in the context of the nuclear many-body problem. Examples include the unitary gas problem, the nuclear density functional theory with Skyrme functionals, and the nuclear coupled-cluster theory. The stability of the method, its ease of use, and its rapid convergence rates make Broyden's method a tool of choice for large-scale nuclear structure calculations

On mathematical modeling and numerical simulation of chemical kinetics in turbulent lean premixed combustion

Energy Technology Data Exchange (ETDEWEB)

Lilleberg, Bjorn

2011-07-01

This thesis investigates turbulent reacting lean premixed flows with detailed treatment of the chemistry. First, the fundamental equations which govern laminar and turbulent reacting flows are presented. A perfectly stirred reactor numerical code is developed to investigate the role of unmixedness and chemical kinetics in driving combustion instabilities. This includes both global single-step and detailed chemical kinetic mechanisms. The single-step mechanisms predict to some degree a similar behavior as the detailed mechanisms. However, it is shown that simple mechanisms can by themselves introduce instabilities. Magnussens Eddy Dissipation Concept (EDC) for turbulent combustion is implemented in the open source CFD toolbox OpenFOAM R for treatment of both fast and detailed chemistry. RANS turbulence models account for the turbulent compressible flow. A database of pre-calculated chemical time scales, which contains the influence of chemical kinetics, is coupled to EDC with fast chemistry to account for local extinction in both diffusion and premixed flames. Results are compared to fast and detailed chemistry calculations. The inclusion of the database shows significantly better results than the fast chemistry calculations while having a comparably small computational cost. Numerical simulations of four piloted lean premixed jet flames falling into the 'well stirred reactor/broken reaction zones' regime, with strong finite-rate chemistry effects, are performed. Measured and predicted scalars compare well for the two jets with the lowest velocities. The two jets with the highest velocities experience extinction and reignition, and the simulations are able to capture the decrease and increase of the OH mass fractions, but the peak values are higher than in the experiments. Also numerical simulations of a lean premixed lifted jet flame with high sensitivity to turbulence modeling and chemical kinetics are performed. Limitations of the applied turbulence and

Calculating system reliability with SRFYDO

Energy Technology Data Exchange (ETDEWEB)

Morzinski, Jerome [Los Alamos National Laboratory; Anderson - Cook, Christine M [Los Alamos National Laboratory; Klamann, Richard M [Los Alamos National Laboratory

2010-01-01

SRFYDO is a process for estimating reliability of complex systems. Using information from all applicable sources, including full-system (flight) data, component test data, and expert (engineering) judgment, SRFYDO produces reliability estimates and predictions. It is appropriate for series systems with possibly several versions of the system which share some common components. It models reliability as a function of age and up to 2 other lifecycle (usage) covariates. Initial output from its Exploratory Data Analysis mode consists of plots and numerical summaries so that the user can check data entry and model assumptions, and help determine a final form for the system model. The System Reliability mode runs a complete reliability calculation using Bayesian methodology. This mode produces results that estimate reliability at the component, sub-system, and system level. The results include estimates of uncertainty, and can predict reliability at some not-too-distant time in the future. This paper presents an overview of the underlying statistical model for the analysis, discusses model assumptions, and demonstrates usage of SRFYDO.

An h-adaptive finite element solver for the calculations of the electronic structures

International Nuclear Information System (INIS)

Bao Gang; Hu Guanghui; Liu Di

2012-01-01

In this paper, a framework of using h-adaptive finite element method for the Kohn–Sham equation on the tetrahedron mesh is presented. The Kohn–Sham equation is discretized by the finite element method, and the h-adaptive technique is adopted to optimize the accuracy and the efficiency of the algorithm. The locally optimal block preconditioned conjugate gradient method is employed for solving the generalized eigenvalue problem, and an algebraic multigrid preconditioner is used to accelerate the solver. A variety of numerical experiments demonstrate the effectiveness of our algorithm for both the all-electron and the pseudo-potential calculations.

Field and numerical studies of flow structure in Lake Shira (Khakassia) in summer

Science.gov (United States)

Yakubaylik, Tatyana; Kompaniets, Lidia

2014-05-01

Investigations of Lake Shira are conducted within a multidisciplinary approach that includes the study of biodiversity, biochemistry, geology of lake sediments, as well as its hydrophysics. Our report focuses on field measurements in the lake during the 2009 - 2013 and numerical modeling of flow structure. The flow velocity, temperature and salinity distribution and fluctuations of the thermocline (density) were measured in summer. An analysis of spatial and temporal variability of the major hydrophysical characteristics leads us to conclusion that certain meteorological conditions may cause internal waves in this lake. Digital terrain model is constructed from measurements of Lake bathymetry allowing us to carry out numerical simulation. Three-dimensional primitive equation numerical model GETM is applied to simulate hydrophysical processes in Lake Shira. The model is hydrostatic and Boussinesq. An algorithm of high order approximation is opted for calculating the equations of heat and salt transfer. Temperature and salinity distributions resulting from field observations are taken as initial data for numerical simulations. Model calculations as well as calculations with appropriate real wind pattern being observed on Lake Shira have been carried out. In the model calculations we follow (1). Significant differences are observed between model calculations with constant wind and calculations with real wind pattern. Unsteady wind pattern leads to the appearance of horizontal vortexes and a significant increase of vertical fluctuations in temperature (density, impurities). It causes lifting of the sediments to the upper layers at the areas where the thermocline contacts the bottom. It is important for understanding the overall picture of the processes occurring in the lake in summer. Comparison of the results of numerical experiments with the field data shows the possibility of such a phenomena in Lake Shira. The work was supported by the Russian Foundation for

Calculation of drop course of control rod assembly in PWR

International Nuclear Information System (INIS)

Zhou Xiaojia; Mao Fei; Min Peng; Lin Shaoxuan

2013-01-01

The validation of control rod drop performance is an important part of safety analysis of nuclear power plant. Development of computer code for calculating control rod drop course will be useful for validating and improving the design of control rod drive line. Based on structural features of the drive line, the driving force on moving assembly was analyzed and decomposed, the transient value of each component of the driving force was calculated by choosing either theoretical method or numerical method, and the simulation code for calculating rod cluster control assembly (RCCA) drop course by time step increase was achieved. The analysis results of control rod assembly drop course calculated by theoretical model and numerical method were validated by comparing with RCCA drop test data of Qinshan Phase Ⅱ 600 MW PWR. It is shown that the developed RCCA drop course calculation code is suitable for RCCA in PWR and can correctly simulate the drop course and the stress of RCCA. (authors)

Three-body calculations at Los Alamos

International Nuclear Information System (INIS)

Friar, J.L.

1986-01-01

This work was motivated by four goals: (1) by working in configuration space, where intuition is greatest, investigate graphically those trinucleon properties which are determined by specific features of wave functions; (2) produce benchmark calculations against which new techniques and numerical methods can be measured; (3) investigate the effect of the Coulomb interaction between the two protons in 3 He and in the p-d system; (4) systematically investigate the various trinucleon observables. Configuration space is particularly well-suited for investigating the Coulomb problem. The singularity and discontinuity problems associated with the Coulomb (momentum space) t-matrix are transformed into boundary condition problems in configuration space. One simply adds the Coulomb potential to the strong interaction. In order to produce accurate numerical solutions powerful techniques were adopted which have not frequently been used in nuclear physics. These spline methods together with collocation techniques combine the power of Gaussian quadrature procedures with the flexibility and strength of finite element approaches to solving partial differential equations. The union of these methods allows one to calculate wavefunctions at the same qualitative level of accuracy as the eigenvalues. Observables can therefore be calculated with considerable confidence. 30 refs., 6 figs

Practical calculations of quantum breakup cross sections

International Nuclear Information System (INIS)

McCurdy, C. W.; Rescigno, T. N.

2000-01-01

The Schroedinger equation is solved numerically using the method of exterior complex scaling for several models of the breakup of an atom by electron impact. Using the accurate wave functions thereby obtained for these model problems, several well-known integral expressions for quantum-mechanical breakup amplitudes are tested. It is shown that some formally correct integral expressions for the breakup amplitudes can yield numerically unstable or poorly convergent results. Calculations are presented for a case with simple exponential potentials and a case in which a metastable state of the target, analogous to an autoionizing state, can decay into the breakup channel. For cases involving only short-range (non-Coulomb) interactions, alternative expressions can be found that are stable in calculations of practical scale. (c) 2000 The American Physical Society

A New Numerical Scheme for Cosmic-Ray Transport

Science.gov (United States)

Jiang, Yan-Fei; Oh, S. Peng

2018-02-01

Numerical solutions of the cosmic-ray (CR) magnetohydrodynamic equations are dogged by a powerful numerical instability, which arises from the constraint that CRs can only stream down their gradient. The standard cure is to regularize by adding artificial diffusion. Besides introducing ad hoc smoothing, this has a significant negative impact on either computational cost or complexity and parallel scalings. We describe a new numerical algorithm for CR transport, with close parallels to two-moment methods for radiative transfer under the reduced speed of light approximation. It stably and robustly handles CR streaming without any artificial diffusion. It allows for both isotropic and field-aligned CR streaming and diffusion, with arbitrary streaming and diffusion coefficients. CR transport is handled explicitly, while source terms are handled implicitly. The overall time step scales linearly with resolution (even when computing CR diffusion) and has a perfect parallel scaling. It is given by the standard Courant condition with respect to a constant maximum velocity over the entire simulation domain. The computational cost is comparable to that of solving the ideal MHD equation. We demonstrate the accuracy and stability of this new scheme with a wide variety of tests, including anisotropic streaming and diffusion tests, CR-modified shocks, CR-driven blast waves, and CR transport in multiphase media. The new algorithm opens doors to much more ambitious and hitherto intractable calculations of CR physics in galaxies and galaxy clusters. It can also be applied to other physical processes with similar mathematical structure, such as saturated, anisotropic heat conduction.

The appropriateness of one-dimensional Yucca Mountain hydrologic calculations

International Nuclear Information System (INIS)

Eaton, R.R.

1993-07-01

This report brings into focus the results of numerous studies that have addressed issues associated with the validity of assumptions which are used to justify reducing the dimensionality of numerical calculations of water flow through Yucca Mountain, NV. it is shown that, in many cases, one-dimensional modeling is more rigorous than previously assumed

Photonic band structure calculations using nonlinear eigenvalue techniques

International Nuclear Information System (INIS)

Spence, Alastair; Poulton, Chris

2005-01-01

This paper considers the numerical computation of the photonic band structure of periodic materials such as photonic crystals. This calculation involves the solution of a Hermitian nonlinear eigenvalue problem. Numerical methods for nonlinear eigenvalue problems are usually based on Newton's method or are extensions of techniques for the standard eigenvalue problem. We present a new variation on existing methods which has its derivation in methods for bifurcation problems, where bordered matrices are used to compute critical points in singular systems. This new approach has several advantages over the current methods. First, in our numerical calculations the new variation is more robust than existing techniques, having a larger domain of convergence. Second, the linear systems remain Hermitian and are nonsingular as the method converges. Third, the approach provides an elegant and efficient way of both thinking about the problem and organising the computer solution so that only one linear system needs to be factorised at each stage in the solution process. Finally, first- and higher-order derivatives are calculated as a natural extension of the basic method, and this has advantages in the electromagnetic problem discussed here, where the band structure is plotted as a set of paths in the (ω,k) plane

Numerical stabilization of entanglement computation in auxiliary-field quantum Monte Carlo simulations of interacting many-fermion systems.

Science.gov (United States)

Broecker, Peter; Trebst, Simon

2016-12-01

In the absence of a fermion sign problem, auxiliary-field (or determinantal) quantum Monte Carlo (DQMC) approaches have long been the numerical method of choice for unbiased, large-scale simulations of interacting many-fermion systems. More recently, the conceptual scope of this approach has been expanded by introducing ingenious schemes to compute entanglement entropies within its framework. On a practical level, these approaches, however, suffer from a variety of numerical instabilities that have largely impeded their applicability. Here we report on a number of algorithmic advances to overcome many of these numerical instabilities and significantly improve the calculation of entanglement measures in the zero-temperature projective DQMC approach, ultimately allowing us to reach similar system sizes as for the computation of conventional observables. We demonstrate the applicability of this improved DQMC approach by providing an entanglement perspective on the quantum phase transition from a magnetically ordered Mott insulator to a band insulator in the bilayer square lattice Hubbard model at half filling.

Improved numerical calculation of the generation of a neutral beam by charge transfer between chlorine ions/neutrals and a graphite surface

International Nuclear Information System (INIS)

Kubota, Tomohiro; Samukawa, Seiji; Watanabe, Naoki; Ohtsuka, Shingo; Iwasaki, Takuya; Ono, Kohei; Iriye, Yasuroh

2014-01-01

The charge transfer process between chlorine particles (ions or neutrals) and a graphite surface on collision was investigated by using a highly stable numerical simulator based on time-dependent density functional theory to understand the generation mechanism of a high-efficiency neutral beam developed by Samukawa et al (2001 Japan. J. Appl. Phys. 40 L779). A straightforward calculation was achieved by adopting a large enough unit cell. The dependence of the neutralization efficiency on the incident energy of the particle was investigated, and the trend of the experimental result was reproduced. It was also found that doping the electrons and holes into graphite could change the charge transfer process and neutralization probability. This result suggests that it is possible to develop a neutral beam source that has high neutralization efficiency for both positive and negative ions. (paper)

Tritium release experiments with CATS and numerical simulation

International Nuclear Information System (INIS)

Munakata, Kenzo; Wajima, Takaaki; Hara, Keisuke; Wada, Kohei; Takeishi, Toshiharu; Shinozaki, Yohei; Mochizuki, Kazuhiro; Katekari, Kenichi; Kobayashi, Kazuhiro; Iwai, Yasunori; Hayashi, Takumi; Yamanishi, Toshihiko

2010-01-01

In D-T fusion power plants, large amounts of tritium would be handled. Tritium is the radioisotope of protium, and is easily taken into the human body, and thus the behavior of tritium accidentally released in fusion power plants should be studied for the safety design and radioprotection of workers. Therefore, it is necessary to investigate the behavior of tritium released into large rooms with objectives, since complex flow fields should exist in such rooms and they could influence the ventilation of the air containing released tritium. Thus, tritium release experiments were conducted using Caisson Assembly for Tritium Safety Study (CATS) in TPL/JAEA. Some data were taken for tritium behavior in the ventilated area and response of tritium monitors. In the experiments, approximately 17 GBq of tritium was released into Caisson with the total volume of 12 m 3 , and the room was ventilated at the rate of 12 m 3 /h after release of tritium. It was found that placement of an objective in the vessel substantially affects decontamination efficiency. With regard to an experimental result, numerical calculation was performed and the experimental result and the result of numerical calculation were compared, which indicates that experimental results are qualitatively reproduced by numerical calculation. However, further R and D needs to be carried out for quantitative reproduction of the experimental results.

Tritium release experiments with CATS and numerical simulation

Energy Technology Data Exchange (ETDEWEB)

Munakata, Kenzo, E-mail: kenzo@gipc.akita-u.ac.jp [Faculty of Engineering and Resource Sciences, Akita University, Tegata-gakuen-cho 1-1, Akita 010-8502 (Japan); Wajima, Takaaki; Hara, Keisuke; Wada, Kohei [Faculty of Engineering and Resource Sciences, Akita University, Tegata-gakuen-cho 1-1, Akita 010-8502 (Japan); Takeishi, Toshiharu; Shinozaki, Yohei; Mochizuki, Kazuhiro; Katekari, Kenichi [Interdisciplinary Graduate School of Engineering Science, Kyushu University, Hakozaki 6-10-1, Higashi-ku, Fukuoka 812-8581 (Japan); Kobayashi, Kazuhiro; Iwai, Yasunori; Hayashi, Takumi; Yamanishi, Toshihiko [Tritium Technology Group, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

2010-12-15

In D-T fusion power plants, large amounts of tritium would be handled. Tritium is the radioisotope of protium, and is easily taken into the human body, and thus the behavior of tritium accidentally released in fusion power plants should be studied for the safety design and radioprotection of workers. Therefore, it is necessary to investigate the behavior of tritium released into large rooms with objectives, since complex flow fields should exist in such rooms and they could influence the ventilation of the air containing released tritium. Thus, tritium release experiments were conducted using Caisson Assembly for Tritium Safety Study (CATS) in TPL/JAEA. Some data were taken for tritium behavior in the ventilated area and response of tritium monitors. In the experiments, approximately 17 GBq of tritium was released into Caisson with the total volume of 12 m{sup 3}, and the room was ventilated at the rate of 12 m{sup 3}/h after release of tritium. It was found that placement of an objective in the vessel substantially affects decontamination efficiency. With regard to an experimental result, numerical calculation was performed and the experimental result and the result of numerical calculation were compared, which indicates that experimental results are qualitatively reproduced by numerical calculation. However, further R and D needs to be carried out for quantitative reproduction of the experimental results.

T.I.G. Welding of stainless steel. Numerical modelling for temperatures calculation in the Haz; Soldadura T.I.G. de acero inoxidable. Modelo numerico para el calculo de temperaturas en la ZAT

Energy Technology Data Exchange (ETDEWEB)

Martinez-Conesa, E. J.; Estrems-Amestoy, M.; Miguel-Eguia, V.; Garrido-Hernandez, A.; Guillen-Martinez, J. A.

2010-07-01

In this work, a numerical method for calculating the temperature field into the heat affected zone for butt welded joints is presented. The method has been developed for sheet welding and takes into account a bidimensional heat flow. It has built a computer program by MS-Excel books and Visual Basic for Applications (VBA). The model has been applied to the TIG process of AISI 304 stainless steel 2mm thickness sheet. The welding process has been considered without input materials. The numerical method may be used to help the designers to predict the temperature distribution in welded joints. (Author) 12 refs.

Numerical Simulation of Hydrogen Air Supersonic Coaxial Jet

Science.gov (United States)

Dharavath, Malsur; Manna, Pulinbehari; Chakraborty, Debasis

2017-10-01

In the present study, the turbulent structure of coaxial supersonic H2-air jet is explored numerically by solving three dimensional RANS equations along with two equation k-ɛ turbulence model. Grid independence of the solution is demonstrated by estimating the error distribution using Grid Convergence Index. Distributions of flow parameters in different planes are analyzed to explain the mixing and combustion characteristics of high speed coaxial jets. The flow field is seen mostly diffusive in nature and hydrogen diffusion is confined to core region of the jet. Both single step laminar finite rate chemistry and turbulent reacting calculation employing EDM combustion model are performed to find the effect of turbulence-chemistry interaction in the flow field. Laminar reaction predicts higher H2 mol fraction compared to turbulent reaction because of lower reaction rate caused by turbulence chemistry interaction. Profiles of major species and temperature match well with experimental data at different axial locations; although, the computed profiles show a narrower shape in the far field region. These results demonstrate that standard two equation class turbulence model with single step kinetics based turbulence chemistry interaction can describe H2-air reaction adequately in high speed flows.

Numerical simulation of potato slices drying using a two-dimensional finite element model

Directory of Open Access Journals (Sweden)

Beigi Mohsen

2017-01-01

Full Text Available An experimental and numerical study was conducted to investigate the process of potato slices drying. For simulating the moisture transfer in the samples and predict the dehydration curves, a two-dimensional finite element model was developed and programmed in Compaq Visual Fortran, version 6.5. The model solved the Fick’s second law for slab in a shrinkage system to calculate the unsteady two-dimensional moisture transmission in rectangular coordinates (x,y. Moisture diffusivity and moisture transfer coefficient were determined by minimizing the sum squares of residuals between experimental and numerical predicted data. Shrinkage kinetics of the potato slices during dehydration was determined experimentally and found to be a linear function of removed moisture. The determined parameters were used in the mathematical model. The predicted moisture content values were compared to the experimental data and the validation results demonstrated that the dynamic drying curves were predicted by the methodology very well.

Calculation of Flexible Bus-Bars Electrodynamic Stability with Application of Implicit Scheme

Directory of Open Access Journals (Sweden)

Y. G. Panamarenka

2008-01-01

Full Text Available A numerical method for calculation of open-air substations’ flexible bus-bars dynamic at short-circuit has been improved on equations of a flexible elastic string with application of an implicit scheme. On the basis of the numerical method a computer program FLEBUS for calculation of substations’ flexible bus-bars dynamic at short-circuit has been developed. An approbation and an estimation of calculation result reliability have been carried out in accordance with the program while using experimental data. On the basis of the obtained information it is possible to assert that the developed program is an independent tool for calculation of electrodynamic stability of substations’ flexible bus-bars.

Numerical analysis of band tails in nanowires and their effects on the performance of tunneling field-effect transistors

Science.gov (United States)

Tanaka, Takahisa; Uchida, Ken

2018-06-01

Band tails in heavily doped semiconductors are one of the important parameters that determine transfer characteristics of tunneling field-effect transistors. In this study, doping concentration and doing profile dependences of band tails in heavily doped Si nanowires were analyzed by a nonequilibrium Green function method. From the calculated band tails, transfer characteristics of nanowire tunnel field-effect transistors were numerically analyzed by Wentzel–Kramer–Brillouin approximation with exponential barriers. The calculated transfer characteristics demonstrate that the band tails induced by dopants degrade the subthreshold slopes of Si nanowires from 5 to 56 mV/dec in the worst case. On the other hand, surface doping leads to a high drain current while maintaining a small subthreshold slope.

Thermal calculations for water cooled research reactors

International Nuclear Information System (INIS)

Fabrega, S.

1979-01-01

The formulae and the more important numerical data necessary for thermic calculations on the core of a research reactor, cooled with low pressure water, are presented. Most of the problems met by the designer and the operator are dealt with (calculations margins, cooling after shut-down). Particular cases are considered (gas release, rough walls, asymmetric cooling slabs etc.), which are not generally envisaged in works on general thermics

CALCULATION OF ROCKET NOSE FAIRING SHELLS AERODYNAMIC CHARACTERISTICS

Directory of Open Access Journals (Sweden)

Vladimir T. Kalugin

2018-01-01

Full Text Available The aerodynamic characteristics of the detachable elements of transport systems are introduced, they allow to calculate the trajectories of these elements after their separation and determine the size of elements impact areas. Special consideration is given to head fairing shells, containing cylindrical, conical and spherical sections. Head fairing shells have high lift-to-drag ratio and the widest impact areas. Aerodynamics of bodies of such configurations has been insufficiently studied. The paper presents the numerical results of modeling the flow around a typical head fairing shell in free flight. Open source OpenFOAM package is used for numerical simulation. The aerodynamic characteristics at trans- and supersonic velocities are obtained, flow pattern transformation with the change of the angle of attack and Mach number is analyzed. The possibility of OpenFOAM package for aerodynamic calculations of thin shells is shown. The analysis of the obtained results demonstrate that there are many complex shock waves interacting with each other at flow supersonic speeds, at subsonic speeds vast regions of flow separations are observed. The authors identify intervals of angles of attack, where different types of flow structures are realized, both for trans- and supersonic flow speeds. The flow pattern change affects the aerodynamic characteristics, the aerodynamic coefficients significantly change with increase of the angle of attack. There are two trim angles of attack at all examined flow velocities. The results obtained can be used to develop a passive stabilization system for fairing shell that will balance the body at the angle of attack with minimum lift-to-drag ratio and will reduce random deviations.

Numerical evaluation of integrals containing a spherical Bessel function by product integration

International Nuclear Information System (INIS)

Lehman, D.R.; Parke, W.C.; Maximon, L.C.

1981-01-01

A method is developed for numerical evaluation of integrals with k-integration range from 0 to infinity that contain a spherical Bessel function j/sub l/(kr) explicitly. The required quadrature weights are easily calculated and the rate of convergence is rapid: only a relatively small number of quadrature points is needed: for an accurate evaluation even when r is large. The quadrature rule is obtained by the method of product integration. With the abscissas chosen to be those of Clenshaw--Curtis and the Chebyshev polynomials as the interpolating polynomials, quadrature weights are obtained that depend on the spherical Bessel function. An inhomogenous recurrence relation is derived from which the weights can be calculated without accumulation of roundoff error. The procedure is summarized as an easily implementable algorithm. Questions of convergence are discussed and the rate of convergence demonstrated for several test integrals. Alternative procedures are given for generating the integration weights and an error analysis of the method is presented

Cooling tower calculations

International Nuclear Information System (INIS)

Simonkova, J.

1988-01-01

The problems are summed up of the dynamic calculation of cooling towers with forced and natural air draft. The quantities and relations are given characterizing the simultaneous exchange of momentum, heat and mass in evaporative water cooling by atmospheric air in the packings of cooling towers. The method of solution is clarified in the calculation of evaporation criteria and thermal characteristics of countercurrent and cross current cooling systems. The procedure is demonstrated of the calculation of cooling towers, and correction curves and the effect assessed of the operating mode at constant air number or constant outlet air volume flow on their course in ventilator cooling towers. In cooling towers with the natural air draft the flow unevenness is assessed of water and air relative to its effect on the resulting cooling efficiency of the towers. The calculation is demonstrated of thermal and resistance response curves and cooling curves of hydraulically unevenly loaded towers owing to the water flow rate parameter graded radially by 20% along the cross-section of the packing. Flow rate unevenness of air due to wind impact on the outlet air flow from the tower significantly affects the temperatures of cooled water in natural air draft cooling towers of a design with lower demands on aerodynamics, as early as at wind velocity of 2 m.s -1 as was demonstrated on a concrete example. (author). 11 figs., 10 refs

Fragment approach to constrained density functional theory calculations using Daubechies wavelets

International Nuclear Information System (INIS)

Ratcliff, Laura E.; Genovese, Luigi; Mohr, Stephan; Deutsch, Thierry

2015-01-01

In a recent paper, we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions are optimized in situ and therefore adapted to the chemical properties of the molecular system. Thanks to the systematically controllable accuracy of the underlying basis set, this approach is able to provide an optimal contracted basis for a given system: accuracies for ground state energies and atomic forces are of the same quality as an uncontracted, cubic scaling approach. This basis set offers, by construction, a natural subset where the density matrix of the system can be projected. In this paper, we demonstrate the flexibility of this minimal basis formalism in providing a basis set that can be reused as-is, i.e., without reoptimization, for charge-constrained DFT calculations within a fragment approach. Support functions, represented in the underlying wavelet grid, of the template fragments are roto-translated with high numerical precision to the required positions and used as projectors for the charge weight function. We demonstrate the interest of this approach to express highly precise and efficient calculations for preparing diabatic states and for the computational setup of systems in complex environments

Fragment approach to constrained density functional theory calculations using Daubechies wavelets

Energy Technology Data Exchange (ETDEWEB)

Ratcliff, Laura E., E-mail: lratcliff@anl.gov [Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439 (United States); Université de Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France); Genovese, Luigi; Mohr, Stephan; Deutsch, Thierry [Université de Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France)

2015-06-21

In a recent paper, we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions are optimized in situ and therefore adapted to the chemical properties of the molecular system. Thanks to the systematically controllable accuracy of the underlying basis set, this approach is able to provide an optimal contracted basis for a given system: accuracies for ground state energies and atomic forces are of the same quality as an uncontracted, cubic scaling approach. This basis set offers, by construction, a natural subset where the density matrix of the system can be projected. In this paper, we demonstrate the flexibility of this minimal basis formalism in providing a basis set that can be reused as-is, i.e., without reoptimization, for charge-constrained DFT calculations within a fragment approach. Support functions, represented in the underlying wavelet grid, of the template fragments are roto-translated with high numerical precision to the required positions and used as projectors for the charge weight function. We demonstrate the interest of this approach to express highly precise and efficient calculations for preparing diabatic states and for the computational setup of systems in complex environments.

7 CFR 51.308 - Methods of sampling and calculation of percentages.

Science.gov (United States)

2010-01-01

..., CERTIFICATION, AND STANDARDS) United States Standards for Grades of Apples Methods of Sampling and Calculation of Percentages § 51.308 Methods of sampling and calculation of percentages. (a) When the numerical... 7 Agriculture 2 2010-01-01 2010-01-01 false Methods of sampling and calculation of percentages. 51...

Beam shape coefficients calculation for an elliptical Gaussian beam with 1-dimensional quadrature and localized approximation methods

Science.gov (United States)

Wang, Wei; Shen, Jianqi

2018-06-01

The use of a shaped beam for applications relying on light scattering depends much on the ability to evaluate the beam shape coefficients (BSC) effectively. Numerical techniques for evaluating the BSCs of a shaped beam, such as the quadrature, the localized approximation (LA), the integral localized approximation (ILA) methods, have been developed within the framework of generalized Lorenz-Mie theory (GLMT). The quadrature methods usually employ the 2-/3-dimensional integrations. In this work, the expressions of the BSCs for an elliptical Gaussian beam (EGB) are simplified into the 1-dimensional integral so as to speed up the numerical computation. Numerical results of BSCs are used to reconstruct the beam field and the fidelity of the reconstructed field to the given beam field is estimated. It is demonstrated that the proposed method is much faster than the 2-dimensional integrations and it can acquire more accurate results than the LA method. Limitations of the quadrature method and also the LA method in the numerical calculation are analyzed in detail.

Numerical analysis of electromagnetic fields

CERN Document Server

Zhou Pei Bai

1993-01-01

Numerical methods for solving boundary value problems have developed rapidly. Knowledge of these methods is important both for engineers and scientists. There are many books published that deal with various approximate methods such as the finite element method, the boundary element method and so on. However, there is no textbook that includes all of these methods. This book is intended to fill this gap. The book is designed to be suitable for graduate students in engineering science, for senior undergraduate students as well as for scientists and engineers who are interested in electromagnetic fields. Objective Numerical calculation is the combination of mathematical methods and field theory. A great number of mathematical concepts, principles and techniques are discussed and many computational techniques are considered in dealing with practical problems. The purpose of this book is to provide students with a solid background in numerical analysis of the field problems. The book emphasizes the basic theories ...

A novel and efficient analytical method for calculation of the transient temperature field in a multi-dimensional composite slab

International Nuclear Information System (INIS)

Lu, X; Tervola, P; Viljanen, M

2005-01-01

This paper provides an efficient analytical tool for solving the heat conduction equation in a multi-dimensional composite slab subject to generally time-dependent boundary conditions. A temporal Laplace transformation and novel separation of variables are applied to the heat equation. The time-dependent boundary conditions are approximated with Fourier series. Taking advantage of the periodic properties of Fourier series, the corresponding analytical solution is obtained and expressed explicitly through employing variable transformations. For such conduction problems, nearly all the published works necessitate numerical work such as computing residues or searching for eigenvalues even for a one-dimensional composite slab. In this paper, the proposed method involves no numerical iteration. The final closed form solution is straightforward; hence, the physical parameters are clearly shown in the formula. The accuracy of the developed analytical method is demonstrated by comparison with numerical calculations

Finite elements in fracture mechanics theory, numerics, applications

CERN Document Server

Kuna, Meinhard

2013-01-01

Fracture mechanics has established itself as an important discipline of growing interest to those working to assess the safety, reliability and service life of engineering structures and materials. In order to calculate the loading situation at cracks and defects, nowadays numerical techniques like finite element method (FEM) have become indispensable tools for a broad range of applications. The present monograph provides an introduction to the essential concepts of fracture mechanics, its main goal being to procure the special techniques for FEM analysis of crack problems, which have to date only been mastered by experts. All kinds of static, dynamic and fatigue fracture problems are treated in two- and three-dimensional elastic and plastic structural components. The usage of the various solution techniques is demonstrated by means of sample problems selected from practical engineering case studies. The primary target group includes graduate students, researchers in academia and engineers in practice.

Selfconsistent calculations at finite temperatures

International Nuclear Information System (INIS)

Brack, M.; Quentin, P.

1975-01-01

Calculations have been done for the spherical nuclei 40 Ca, 208 Pb and the hypothetical superheavy nucleus with Z=114, A=298, as well as for the deformed nucleus 168 Yb. The temperature T was varied from zero up to 5 MeV. For T>3 MeV, some numerical problems arise in connection with the optimization of the basis when calculating deformed nuclei. However, at these high temperatures the occupation numbers in the continuum are sufficiently large so that the nucleus starts evaporating particles and no equilibrium state can be described. Results are obtained for excitation energies and entropies. (Auth.)

Finite difference method and algebraic polynomial interpolation for numerically solving Poisson's equation over arbitrary domains

Directory of Open Access Journals (Sweden)

Tsugio Fukuchi

2014-06-01

Full Text Available The finite difference method (FDM based on Cartesian coordinate systems can be applied to numerical analyses over any complex domain. A complex domain is usually taken to mean that the geometry of an immersed body in a fluid is complex; here, it means simply an analytical domain of arbitrary configuration. In such an approach, we do not need to treat the outer and inner boundaries differently in numerical calculations; both are treated in the same way. Using a method that adopts algebraic polynomial interpolations in the calculation around near-wall elements, all the calculations over irregular domains reduce to those over regular domains. Discretization of the space differential in the FDM is usually derived using the Taylor series expansion; however, if we use the polynomial interpolation systematically, exceptional advantages are gained in deriving high-order differences. In using the polynomial interpolations, we can numerically solve the Poisson equation freely over any complex domain. Only a particular type of partial differential equation, Poisson's equations, is treated; however, the arguments put forward have wider generality in numerical calculations using the FDM.

A numerical study on manoeuvrability of wind turbine installation vessel using OpenFOAM

Directory of Open Access Journals (Sweden)

Sungwook Lee

2015-05-01

Full Text Available In this study, a numerical prediction method on manoeuvrability of Wind Turbine Installation Vessel (WTIV is presented. Planar Motion Mechanism (PMM captive test for the bare hull of WTIV is carried out in the model basin and compared with the numerical results using RANS simulation based on Open-source Field Operation And Manipulation (OpenFOAM calculation to validate the developed method. The manoeuvrability of WTIV with skeg and/or without skeg is investigated using the numerical approach along with the captive model test. In the numerical calculations, the dynamic stability index which indicates the course keeping ability is evaluated and compared for three different hull configurations i.e. bare hull and other two hulls with center skeg and twin skeg. This paper proves that the numerical approach using RANS simulation can be readily applied to estimate the manoeuvrability of WTIV at the initial design stage.

Influence of mesh non-orthogonality on numerical simulation of buoyant jet flows

International Nuclear Information System (INIS)

Ishigaki, Masahiro; Abe, Satoshi; Sibamoto, Yasuteru; Yonomoto, Taisuke

2017-01-01

Highlights: • Influence of mesh non-orthogonality on numerical solution of buoyant jet flows. • Buoyant jet flows are simulated with hexahedral and prismatic meshes. • Jet instability with prismatic meshes may be overestimated compared to that with hexahedral meshes. • Modified solvers that can reduce the influence of mesh non-orthogonality and reduce computation time are proposed. - Abstract: In the present research, we discuss the influence of mesh non-orthogonality on numerical solution of a type of buoyant flow. Buoyant jet flows are simulated numerically with hexahedral and prismatic mesh elements in an open source Computational Fluid Dynamics (CFD) code called “OpenFOAM”. Buoyant jet instability obtained with the prismatic meshes may be overestimated compared to that obtained with the hexahedral meshes when non-orthogonal correction is not applied in the code. Although the non-orthogonal correction method can improve the instability generated by mesh non-orthogonality, it may increase computation time required to reach a convergent solution. Thus, we propose modified solvers that can reduce the influence of mesh non-orthogonality and reduce the computation time compared to the existing solvers in OpenFOAM. It is demonstrated that calculations for a buoyant jet with a large temperature difference are performed faster by the modified solver.

Influence of mesh non-orthogonality on numerical simulation of buoyant jet flows

Energy Technology Data Exchange (ETDEWEB)

Ishigaki, Masahiro, E-mail: ishigaki.masahiro@jaea.go.jp; Abe, Satoshi; Sibamoto, Yasuteru; Yonomoto, Taisuke

2017-04-01

Highlights: • Influence of mesh non-orthogonality on numerical solution of buoyant jet flows. • Buoyant jet flows are simulated with hexahedral and prismatic meshes. • Jet instability with prismatic meshes may be overestimated compared to that with hexahedral meshes. • Modified solvers that can reduce the influence of mesh non-orthogonality and reduce computation time are proposed. - Abstract: In the present research, we discuss the influence of mesh non-orthogonality on numerical solution of a type of buoyant flow. Buoyant jet flows are simulated numerically with hexahedral and prismatic mesh elements in an open source Computational Fluid Dynamics (CFD) code called “OpenFOAM”. Buoyant jet instability obtained with the prismatic meshes may be overestimated compared to that obtained with the hexahedral meshes when non-orthogonal correction is not applied in the code. Although the non-orthogonal correction method can improve the instability generated by mesh non-orthogonality, it may increase computation time required to reach a convergent solution. Thus, we propose modified solvers that can reduce the influence of mesh non-orthogonality and reduce the computation time compared to the existing solvers in OpenFOAM. It is demonstrated that calculations for a buoyant jet with a large temperature difference are performed faster by the modified solver.

Validation of Calculations in a Digital Thermometer Firmware

Science.gov (United States)

Batagelj, V.; Miklavec, A.; Bojkovski, J.

2014-04-01

State-of-the-art digital thermometers are arguably remarkable measurement instruments, measuring outputs from resistance thermometers and/or thermocouples. Not only that they can readily achieve measuring accuracies in the parts-per-million range, but they also incorporate sophisticated algorithms for the transformation calculation of the measured resistance or voltage to temperature. These algorithms often include high-order polynomials, exponentials and logarithms, and must be performed using both standard coefficients and particular calibration coefficients. The numerical accuracy of these calculations and the associated uncertainty component must be much better than the accuracy of the raw measurement in order to be negligible in the total measurement uncertainty. In order for the end-user to gain confidence in these calculations as well as to conform to formal requirements of ISO/IEC 17025 and other standards, a way of validation of these numerical procedures performed in the firmware of the instrument is required. A software architecture which allows a simple validation of internal measuring instrument calculations is suggested. The digital thermometer should be able to expose all its internal calculation functions to the communication interface, so the end-user can compare the results of the internal measuring instrument calculation with reference results. The method can be regarded as a variation of the black-box software validation. Validation results on a thermometer prototype with implemented validation ability show that the calculation error of basic arithmetic operations is within the expected rounding error. For conversion functions, the calculation error is at least ten times smaller than the thermometer effective resolution for the particular probe type.

Numerical analysis of a polysilicon-based resistive memory device

KAUST Repository

Berco, Dan

2018-03-08

This study investigates a conductive bridge resistive memory device based on a Cu top electrode, 10-nm polysilicon resistive switching layer and a TiN bottom electrode, by numerical analysis for $$10^{3}$$103 programming and erase simulation cycles. The low and high resistive state values in each cycle are calculated, and the analysis shows that the structure has excellent retention reliability properties. The presented Cu species density plot indicates that Cu insertion occurs almost exclusively along grain boundaries resulting in a confined isomorphic conductive filament that maintains its overall shape and electric properties during cycling. The superior reliability of this structure may thus be attributed to the relatively low amount of Cu migrating into the RSL during initial formation. In addition, the results show a good match and help to confirm experimental measurements done over a previously demonstrated device.

Numerical capacities as domain-specific predictors beyond early mathematics learning: a longitudinal study.

Science.gov (United States)

Reigosa-Crespo, Vivian; González-Alemañy, Eduardo; León, Teresa; Torres, Rosario; Mosquera, Raysil; Valdés-Sosa, Mitchell

2013-01-01

The first aim of the present study was to investigate whether numerical effects (Numerical Distance Effect, Counting Effect and Subitizing Effect) are domain-specific predictors of mathematics development at the end of elementary school by exploring whether they explain additional variance of later mathematics fluency after controlling for the effects of general cognitive skills, focused on nonnumerical aspects. The second aim was to address the same issues but applied to achievement in mathematics curriculum that requires solutions to fluency in calculation. These analyses assess whether the relationship found for fluency are generalized to mathematics content beyond fluency in calculation. As a third aim, the domain specificity of the numerical effects was examined by analyzing whether they contribute to the development of reading skills, such as decoding fluency and reading comprehension, after controlling for general cognitive skills and phonological processing. Basic numerical capacities were evaluated in children of 3(rd) and 4(th) grades (n=49). Mathematics and reading achievements were assessed in these children one year later. Results showed that the size of the Subitizing Effect was a significant domain-specific predictor of fluency in calculation and also in curricular mathematics achievement, but not in reading skills, assessed at the end of elementary school. Furthermore, the size of the Counting Effect also predicted fluency in calculation, although this association only approached significance. These findings contrast with proposals that the core numerical competencies measured by enumeration will bear little relationship to mathematics achievement. We conclude that basic numerical capacities constitute domain-specific predictors and that they are not exclusively "start-up" tools for the acquisition of Mathematics; but they continue modulating this learning at the end of elementary school.

Contribution to the theoretical and numerical study of inertial confinement fusion

International Nuclear Information System (INIS)

Tran Trach-Minh

1983-01-01

After an overview of problems faced for numerical simulations of inertial fusion, this research thesis reports the study of the behaviour of suprathermal ions by using the transport equation as model. The problem is then to find an appropriate numerical method to solve this equation, inspired by well known methods related to the transport of neutral particles (photons and neutrons) which however cannot be directly applied. The calculation scheme is introduced in an existing hydrodynamic code. Models are then proposed to take the partial ionisation of some materials into account in the target thermodynamics and in the slowing down of fast ions. In the next part, the author discusses the ion transport equation, and the calculation of the different coefficients which characterise their interaction with particles of the host medium. Problems faced for numerical processing are addressed. The coupling of ion transport calculation model with a hydrodynamic code is described. Effects of alphas transport during target ignition are analysed, as well as the penetration of external ion beams during the compression phase

Numerical determination of transmission probabilities in cylindrical geometry

International Nuclear Information System (INIS)

Queiroz Bogado Leite, S. de.

1989-11-01

Efficient methods for numerical calculation of transmission probabilities in cylindrical geometry are presented. Relative errors of the order of 10 -5 or smaller are obtained using analytical solutions and low order quadrature integration schemes. (author) [pt

Nodal methods for calculating nuclear reactor transients, control rod patterns, and fuel pin powers

International Nuclear Information System (INIS)

Cho, Byungoh.

1990-01-01

Nodal methods which are used to calculate reactor transients, control rod patterns, and fuel pin powers are investigated. The 3-D nodal code, STORM, has been modified to perform these calculations. Several numerical examples lead to the following conclusions: (1) By employing a thermal leakage-to-absorption ratio (TLAR) approximation for the spatial shape of the thermal fluxes for the 3-D Langenbuch-Maurer-Werner (LMW) and the superprompt critical transient problems, the convergence of the conventional two-group scheme is accelerated. (2) By employing the steepest-ascent hill climbing search with heuristic strategies, Optimum Control Rod Pattern Searcher (OCRPS) is developed for solving control rod positioning problem in BWRs. Using the method of approximation programming the objective function and the nuclear and thermal-hydraulic constraints are modified as heuristic functions that guide the search. The test calculations have demonstrated that, for the first cycle of the Edwin Hatch Unit number-sign 2 reactor, OCRPS shows excellent performance for finding a series of optimum control rod patterns for six burnup steps during the operating cycle. (3) For the modified two-dimensional EPRI-9R problem, the least square second-order polynomial flux expansion method was demonstrated to be computationally about 30 times faster than a fine-mesh finite difference calculation in order to achieve comparable accuracy for pin powers. The basic assumption of this method is that the reconstructed flux can be expressed as a product of an assembly form function and a second-order polynomial function

NUMERICAL MODELING OF CONJUGATE HEAT TRANSFER IN AN INSULATED GLASS UNIT (IGU WITH ACCOUNT FOR ITS DEFORMATION

Directory of Open Access Journals (Sweden)

Golubev Stanislav Sergeevich

2012-12-01

The effects of different climatic impacts lead to the deformation of glasses within an IGU (and its vertical cavity, respectively. Deformation of glasses and vertical cavities reduces the thermal resistance of an IGU. A numerical simulation of conjugate heat transfer within an IGU was implemented as part of the research into this phenomenon. Calculations were performed in ANSYS FLUENT CFD package. Basic equations describing the conservation of mass, conservation of momentum (in the Boussinesq approximation, conservation of energy were solved. Also, the radiation of the cavity wall was taken into account. Vertical walls were considered as non-isothermal, while horizontal walls were adiabatic. Calculations were made for several patterns of glass deformations. Calculation results demonstrate that the heat flow over vertical walls intensifies as the distance between centres of IGU glasses is reduced. The temperature in the central area of the hot glass drops.

Evaluation of the Reference Numerical Parameters of the Monthly Method in ISO 13790 Considering S/V Ratio

Directory of Open Access Journals (Sweden)

Hee-Jeong Kwak

2015-01-01

Full Text Available Many studies have investigated the accuracy of the numerical parameters in the application of the quasi steady-state calculation method. The aim of this study is to derive the reference numerical parameters of the ISO 13790 monthly method by reflecting the surface-to-volume (S/V ratio and the characteristics of the structures. The calculation process was established, and the parameters necessary to derive the reference numerical parameters were calculated based on the input data prepared for the established calculation processes. The reference numerical parameters were then derived through regression analyses of the calculated parameters and the time constant. The parameters obtained from an apartment building and the parameters of the international standard were both applied to the Passive House Planning Package (PHPP and EnergyPlus programs, and the results were analyzed in order to evaluate the validity of the results. The analysis revealed that the calculation results based on the parameters derived from this study yielded lower error rates than those based on the default parameters in ISO 13790. However, the differences were shown to be negligible in the case of high heat capacity.

Representation and calculation of economic uncertainties

DEFF Research Database (Denmark)

Schjær-Jacobsen, Hans

2002-01-01

Management and decision making when certain information is available may be a matter of rationally choosing the optimal alternative by calculation of the utility function. When only uncertain information is available (which is most often the case) decision-making calls for more complex methods...... of representation and calculation and the basis for choosing the optimal alternative may become obscured by uncertainties of the utility function. In practice, several sources of uncertainties of the required information impede optimal decision making in the classical sense. In order to be able to better handle...... to uncertain economic numbers are discussed. When solving economic models for decision-making purposes calculation of uncertain functions will have to be carried out in addition to the basic arithmetical operations. This is a challenging numerical problem since improper methods of calculation may introduce...

Calculation of radioactive decay chains produced by neutron irradiation

International Nuclear Information System (INIS)

Ponti, C.

1984-01-01

The calculation of the decay chains of radioactive isotopes may be solved by different computer codes that apply similar numerical methods. Analytical forms of solution of this problem are known since a long time, but their implementation has always been hindered by the possible occurrence of large numerical errors or by the need, to avoid them, of very high numerical precision. In this paper the reason of these difficulties has been pointed out and solved. In particular a new family of mathematical identities has been found

Comparison of numerical models for calculating dispersion from accidental releases of pollutants

Energy Technology Data Exchange (ETDEWEB)

Pepper, D W [Savannah River Lab., Aiken, SC; Cooper, R E; Baker, A J

1982-01-01

A modular, data-based system approach has been developed to facilitate computational simulation of multi-dimensional pollutant dispersion in atmospheric, steam, estuary, and groundwater applications. This system is used to assess effects of accidental releases of pollutants to the environment. Model sophistication ranges from simple statistical to complex three-dimensional numerical methods. The system used specifies desired degree of model sophistication from a terminal. The model used depends on the particular type of problem being solved, and on a basis of merit related to computer cost. The results of prediction for several model problems are presented.

Numerical investigation of a brazed joint between W-1%La{sub 2}O{sub 3} and ODS EUROFER components

Energy Technology Data Exchange (ETDEWEB)

Reiser, J. [Forschungszentrum Karlsruhe GmbH, Institute for Materials Research III, P.O. Box 3640, 76021 Karlsruhe (Germany)], E-mail: Jens.Reiser@imf.fzk.de; Norajitra, P.; Ruprecht, R. [Forschungszentrum Karlsruhe GmbH, Institute for Materials Research III, P.O. Box 3640, 76021 Karlsruhe (Germany)

2008-12-15

A modular helium-cooled divertor design HEMJ (helium-cooled modular divertor concept with multiple-jet cooling) for the 'post-ITER' demonstration (DEMO) fusion reactor has been developed at the Forschungszentrum Karlsruhe. The design goal is to withstand a surface heat flux of at least 10 MW/m{sup 2} at an acceptable pumping power. A conical design of a brazed joint between two structural components of the HEMJ finger module which are made of different materials has been investigated. This new transition piece design should withstand at least 1000 temperature load cycles between operating and room temperatures. Due to the large mismatch of the thermal expansion coefficients (TECs) of the different materials used, high thermal stresses caused by the thermocyclic loads could lead to the plasticization of both materials in the joint region. To demonstrate the feasibility of this transition piece design, a systematic investigation is required, which includes a numerical simulation, the choice of the brazing material, a study of the brazing technology, and thermocyclic tests of the finger mock-up. This paper shall present a method of numerical investigation as the first step of investigation. Plastic stress calculations are performed using the commercial software ANSYS taking into account thermocyclic as well as internal pressure loads. The calculation results, in particular the plastic behavior of the brazed joint, will be discussed.

Fully self-consistent GW calculations for molecules

DEFF Research Database (Denmark)

Rostgaard, Carsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

2010-01-01

We calculate single-particle excitation energies for a series of 34 molecules using fully self-consistent GW, one-shot G0W0, Hartree-Fock (HF), and hybrid density-functional theory (DFT). All calculations are performed within the projector-augmented wave method using a basis set of Wannier...... functions augmented by numerical atomic orbitals. The GW self-energy is calculated on the real frequency axis including its full frequency dependence and off-diagonal matrix elements. The mean absolute error of the ionization potential (IP) with respect to experiment is found to be 4.4, 2.6, 0.8, 0.4, and 0...

Insertion device calculations with mathematica

Energy Technology Data Exchange (ETDEWEB)

Carr, R. [Stanford Synchrotron Radiation Lab., CA (United States); Lidia, S. [Univ. of California, Davis, CA (United States)

1995-02-01

The design of accelerator insertion devices such as wigglers and undulators has usually been aided by numerical modeling on digital computers, using code in high level languages like Fortran. In the present era, there are higher level programming environments like IDL{reg_sign}, MatLab{reg_sign}, and Mathematica{reg_sign} in which these calculations may be performed by writing much less code, and in which standard mathematical techniques are very easily used. The authors present a suite of standard insertion device modeling routines in Mathematica to illustrate the new techniques. These routines include a simple way to generate magnetic fields using blocks of CSEM materials, trajectory solutions from the Lorentz force equations for given magnetic fields, Bessel function calculations of radiation for wigglers and undulators and general radiation calculations for undulators.

Numerical simulation of solar heating of buildings. Final report

Energy Technology Data Exchange (ETDEWEB)

Coffe, G.; Jannot, M.; Pellerin, J.F.

1980-01-01

This study is divided into two parts: First, the thermal modelling of a solar + electric heated building is presented; mathematical equations are established; numerical calculations are analyzed; and a calculation code in FORTRAN V is set down. Second, this calculation code was used to study the thermal performances of the solar + electric heated building in three European climates: Copenhagen (56/sup 0/ north latitude - Denmark), Trappes (48/sup 0/ north latitude - France), and Carpentras (44/sup 0/ north latitude - France).

Numerical analysis of fragmentation mechanisms in vapor explosions

Energy Technology Data Exchange (ETDEWEB)

Koshizuka, Seiichi; Ikeda, Hirokazu; Oka, Yoshiaki [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.

1998-01-01

Fragmentation of molten metal is the key process in vapor explosions. However this process is so rapid that the mechanisms have not been clarified yet in the experimental studies. Besides, numerical simulation is difficult because we have to analyze water, steam and molten metal simultaneously with evaporation and fragmentation. The authors have been developing a new numerical method, the Moving Particle Semi-implicit (MPS) method, based on moving particles and their interactions. Grids are not necessary. Incompressible flows with fragmentation on free surfaces have been calculated successfully using the MPS method. In the present study numerical simulation of the fragmentation processes using the MPS method is carried out to investigate the mechanisms. A numerical model to calculate evaporation from water to steam is developed. In this model, new particles are generated on water-steam interfaces. Effect of evaporation is also investigated. Growth of the filament is not accelerated when the normal evaporation is considered. This is because the normal evaporation needs a longer time than the moment of the jet impingement, though the filament growth is decided in this moment. Next, rapid evaporation based on spontaneous nucleation is considered. The filament growth is markedly accelerated. This result is consistent with the experimental fact that the spontaneous nucleation temperature is a necessary condition of small-scale vapor explosions. (J.P.N.)

A longitudinal study on predictors of early calculation development among young children at risk for learning difficulties.

Science.gov (United States)

Peng, Peng; Namkung, Jessica M; Fuchs, Douglas; Fuchs, Lynn S; Patton, Samuel; Yen, Loulee; Compton, Donald L; Zhang, Wenjuan; Miller, Amanda; Hamlett, Carol

2016-12-01

The purpose of this study was to explore domain-general cognitive skills, domain-specific academic skills, and demographic characteristics that are associated with calculation development from first grade to third grade among young children with learning difficulties. Participants were 176 children identified with reading and mathematics difficulties at the beginning of first grade. Data were collected on working memory, language, nonverbal reasoning, processing speed, decoding, numerical competence, incoming calculations, socioeconomic status, and gender at the beginning of first grade and on calculation performance at four time points: the beginning of first grade, the end of first grade, the end of second grade, and the end of third grade. Latent growth modeling analysis showed that numerical competence, incoming calculation, processing speed, and decoding skills significantly explained the variance in calculation performance at the beginning of first grade. Numerical competence and processing speed significantly explained the variance in calculation performance at the end of third grade. However, numerical competence was the only significant predictor of calculation development from the beginning of first grade to the end of third grade. Implications of these findings for early calculation instructions among young at-risk children are discussed. Copyright © 2016 Elsevier Inc. All rights reserved.

The MATH--Open Source Application for Easier Learning of Numerical Mathematics

Science.gov (United States)

Glaser-Opitz, Henrich; Budajová, Kristina

2016-01-01

The article introduces a software application (MATH) supporting an education of Applied Mathematics, with focus on Numerical Mathematics. The MATH is an easy to use tool supporting various numerical methods calculations with graphical user interface and integrated plotting tool for graphical representation written in Qt with extensive use of Qwt…

Numerical computation of discrete differential scattering cross sections for Monte Carlo charged particle transport

International Nuclear Information System (INIS)

Walsh, Jonathan A.; Palmer, Todd S.; Urbatsch, Todd J.

2015-01-01

Highlights: • Generation of discrete differential scattering angle and energy loss cross sections. • Gauss–Radau quadrature utilizing numerically computed cross section moments. • Development of a charged particle transport capability in the Milagro IMC code. • Integration of cross section generation and charged particle transport capabilities. - Abstract: We investigate a method for numerically generating discrete scattering cross sections for use in charged particle transport simulations. We describe the cross section generation procedure and compare it to existing methods used to obtain discrete cross sections. The numerical approach presented here is generalized to allow greater flexibility in choosing a cross section model from which to derive discrete values. Cross section data computed with this method compare favorably with discrete data generated with an existing method. Additionally, a charged particle transport capability is demonstrated in the time-dependent Implicit Monte Carlo radiative transfer code, Milagro. We verify the implementation of charged particle transport in Milagro with analytic test problems and we compare calculated electron depth–dose profiles with another particle transport code that has a validated electron transport capability. Finally, we investigate the integration of the new discrete cross section generation method with the charged particle transport capability in Milagro.

Development of orthogonal 2-dimensional numerical code TFC2D for fluid flow with various turbulence models and numerical schemes

Energy Technology Data Exchange (ETDEWEB)

Park, Ju Yeop; In, Wang Kee; Chun, Tae Hyun; Oh, Dong Seok [Korea Atomic Energy Research Institute, Taejeon (Korea)

2000-02-01

The development of orthogonal 2-dimensional numerical code is made. The present code contains 9 kinds of turbulence models that are widely used. They include a standard k-{epsilon} model and 8 kinds of low Reynolds number ones. They also include 6 kinds of numerical schemes including 5 kinds of low order schemes and 1 kind of high order scheme such as QUICK. To verify the present numerical code, pipe flow, channel flow and expansion pipe flow are solved by this code with various options of turbulence models and numerical schemes and the calculated outputs are compared to experimental data. Furthermore, the discretization error that originates from the use of standard k-{epsilon} turbulence model with wall function is much more diminished by introducing a new grid system than a conventional one in the present code. 23 refs., 58 figs., 6 tabs. (Author)

NUMERICAL PREDICTION MODELS FOR AIR POLLUTION BY MOTOR VEHICLE EMISSIONS

Directory of Open Access Journals (Sweden)

M. M. Biliaiev

2016-12-01

Full Text Available Purpose. Scientific work involves: 1 development of 3D numerical models that allow calculating the process of air pollution by motor vehicles emissions; 2 creation of models which would allow predicting the air pollution level in urban areas. Methodology. To solve the problem upon assessing the level of air pollution by motor vehicles emissions fundamental equations of aerodynamics and mass transfer are used. For the solution of differential equations of aerodynamics and mass transfer finite-difference methods are used. For the numerical integration of the equation for the velocity potential the method of conditional approximations is applied. The equation for the velocity potential written in differential form, splits into two equations, where at each step of splitting an unknown value of the velocity potential is determined by an explicit scheme of running computation, while the difference scheme is implicit one. For the numerical integration of the emissions dispersion equation in the atmosphere applies the implicit alternating-triangular difference scheme of splitting. Emissions from the road are modeled by a series of point sources of given intensity. Developed numerical models form is the basis of the created software package. Findings. 3D numerical models were developed; they belong to the class of «diagnostic models». These models take into account main physical factors that influence the process of dispersion of harmful substances in the atmosphere when emissions from vehicles in the city occur. Based on the constructed numerical models the computational experiment was conducted to assess the level of air pollution in the street. Originality. Authors have developed numerical models that allow to calculate the 3D aerodynamics of the wind flow in urban areas and the process of mass transfer emissions from the highway. Calculations to determine the area of contamination, which is formed near the buildings, located along the highway were

NUMERICAL WITHOUT ITERATION METHOD OF MODELING OF ELECTROMECHANICAL PROCESSES IN ASYNCHRONOUS ENGINES

Directory of Open Access Journals (Sweden)

D. G. Patalakh

2018-02-01

Full Text Available Purpose. Development of calculation of electromagnetic and electromechanic transients is in asynchronous engines without iterations. Methodology. Numeral methods of integration of usual differential equations, programming. Findings. As the system of equations, describing the dynamics of asynchronous engine, contents the products of rotor and stator currents and product of rotation frequency of rotor and currents, so this system is nonlinear one. The numeral solution of nonlinear differential equations supposes an iteration process on every step of integration. Time-continuing and badly converging iteration process may be the reason of calculation slowing. The improvement of numeral method by the way of an iteration process removing is offered. As result the modeling time is reduced. The improved numeral method is applied for integration of differential equations, describing the dynamics of asynchronous engine. Originality. The improvement of numeral method allowing to execute numeral integrations of differential equations containing product of functions is offered, that allows to avoid an iteration process on every step of integration and shorten modeling time. Practical value. On the basis of the offered methodology the universal program of modeling of electromechanics processes in asynchronous engines could be developed as taking advantage on fast-acting.

A Numerical Study of Natural Convection Heat Transfer in Fin Ribbed Radiator

Directory of Open Access Journals (Sweden)

Hua-Shu Dou

2015-01-01

Full Text Available This paper numerically investigates the thermal flow and heat transfer by natural convection in a cavity fixed with a fin array. The computational domain consists of both solid (copper and fluid (air areas. The finite volume method and the SIMPLE scheme are used to simulate the steady flow in the domain. Based on the numerical results, the energy gradient function K of the energy gradient theory is calculated. It is observed from contours of the temperature and energy gradient function that the position where thermal instability takes place correlates well with the region of large K values, which demonstrates that the energy gradient method reveals the physical mechanism of the flow instability. Furthermore, the effects of the fin height, the fin number, and the fin shape on the heat transfer rate are also investigated. It is found that the thermal performance of the fin array is determined by the combined effect of the fin space and fin height. It is also observed that the effect of fin shape on heat transfer is insignificant.

A Novel Numerical Approach for a Nonlinear Fractional Dynamical Model of Interpersonal and Romantic Relationships

Directory of Open Access Journals (Sweden)

Jagdev Singh

2017-07-01

Full Text Available In this paper, we propose a new numerical algorithm, namely q-homotopy analysis Sumudu transform method (q-HASTM, to obtain the approximate solution for the nonlinear fractional dynamical model of interpersonal and romantic relationships. The suggested algorithm examines the dynamics of love affairs between couples. The q-HASTM is a creative combination of Sumudu transform technique, q-homotopy analysis method and homotopy polynomials that makes the calculation very easy. To compare the results obtained by using q-HASTM, we solve the same nonlinear problem by Adomian’s decomposition method (ADM. The convergence of the q-HASTM series solution for the model is adapted and controlled by auxiliary parameter ℏ and asymptotic parameter n. The numerical results are demonstrated graphically and in tabular form. The result obtained by employing the proposed scheme reveals that the approach is very accurate, effective, flexible, simple to apply and computationally very nice.

Dispersion parameters: impact on calculated reactor accident consequences

Energy Technology Data Exchange (ETDEWEB)

Aldrich, D.C.

1979-01-01

Much attention has been given in recent years to the modeling of the atmospheric dispersion of pollutants released from a point source. Numerous recommendations have been made concerning the choice of appropriate dispersion parameters. A series of calculations has been performed to determine the impact of these recommendations on the calculated consequences of large reactor accidents. Results are presented and compared in this paper.

Numerical simulations for ITER divertor armour erosion and SOL contamination due to disruptions and ELMs

International Nuclear Information System (INIS)

Landman, I.S.; Pestchanyi, S.E.; Bazylev, B.N.

2005-01-01

The divertor armour materials for ITER are going to be tungsten (as brushe or plates) and CFC. Disruptive loads with the heat deposition Q up to 30 MJ/m 2 on the time scale τ of 3 ms or operation with ELMs at repetitive loads of Q ∼ 3 MJ/m 2 and τ ∼ 0.3 ms cause enhanced armour erosion and produce contamination of SOL. Recent numerical investigations of erosion mechanisms with the anisotropic thermomechanics code PEGASUS-3D and the surface melt motion code MEMOS-1.5D as well as hot hydrogen plasma dynamics, heat loads at the armour surface and backward propagation of material plasma in SOL with the radiation-magnetohydrodynamics code FOREV-2D are survived. For CFC targets, the local overheating model is explained and numerically demonstrated. For the tungsten targets the numerical analysis of melt motion erosion of W-brushe and bulk tungsten targets on the base of MEMOS-1.5D calculations is developed and accompanied by numerical results. For validation of the codes at the regimes relevant to ITER disruptions and ELMs, the simulation results are compared with available experiments carried out at plasma guns, electron beam test facilities and the tokamak JET. (author)

Calculation of high power relativistic beams with consideration of collision effects

International Nuclear Information System (INIS)

Sveshnikov, V.M.

1986-01-01

This paper considers the numerical calculation of relativistic charged particle beams moving in axisymmetric systems in which the presence of a residual neutral gas is possible. It is essential to consider phenomena related to collisions between charged particles and neutrals. Algorithms are constructed for numerical modeling of ionization processes within the framework of the ERA program complex. Solutions of model and practical problems are presented as examples. Such problems were studied where ionization processes were considered by a more complex method requiring a greater volume of calculations but valid at lower pressures

Criticality calculation of non-ordinary systems

Energy Technology Data Exchange (ETDEWEB)

Kalugin, A. V., E-mail: Kalugin-AV@nrcki.ru; Tebin, V. V. [National Research Centre Kurchatov Institute (Russian Federation)

2016-12-15

The specific features of calculation of the effective multiplication factor using the Monte Carlo method for weakly coupled and non-asymptotic multiplying systems are discussed. Particular examples are considered and practical recommendations on detection and Monte Carlo calculation of systems typical in numerical substantiation of nuclear safety for VVER fuel management problems are given. In particular, the problems of the choice of parameters for the batch mode and the method for normalization of the neutron batch, as well as finding and interpretation of the eigenvalue spectrum for the integral fission matrix, are discussed.

Sensitivity analysis of numerical results of one- and two-dimensional advection-diffusion problems

International Nuclear Information System (INIS)

Motoyama, Yasunori; Tanaka, Nobuatsu

2005-01-01

Numerical simulation has been playing an increasingly important role in the fields of science and engineering. However, every numerical result contains errors such as modeling, truncation, and computing errors, and the magnitude of the errors that are quantitatively contained in the results is unknown. This situation causes a large design margin in designing by analyses and prevents further cost reduction by optimizing design. To overcome this situation, we developed a new method to numerically analyze the quantitative error of a numerical solution by using the sensitivity analysis method and modified equation approach. If a reference case of typical parameters is calculated once by this method, then no additional calculation is required to estimate the results of other numerical parameters such as those of parameters with higher resolutions. Furthermore, we can predict the exact solution from the sensitivity analysis results and can quantitatively evaluate the error of numerical solutions. Since the method incorporates the features of the conventional sensitivity analysis method, it can evaluate the effect of the modeling error as well as the truncation error. In this study, we confirm the effectiveness of the method through some numerical benchmark problems of one- and two-dimensional advection-diffusion problems. (author)

Use of JANAF Tables in Equilibrium Calculations and Partition Function Calculations for an Undergraduate Physical Chemistry Course

Science.gov (United States)

Cleary, David A.

2014-01-01

The usefulness of the JANAF tables is demonstrated with specific equilibrium calculations. An emphasis is placed on the nature of standard chemical potential calculations. Also, the use of the JANAF tables for calculating partition functions is examined. In the partition function calculations, the importance of the zero of energy is highlighted.

Hybrid SN Laplace Transform Method For Slab Lattice Calculations

International Nuclear Information System (INIS)

Segatto, Cynthia F.; Vilhena, Marco T.; Zani, Jose H.; Barros, Ricardo C.

2008-01-01

In typical lattice cells where a highly absorbing, small fuel element is embedded in the moderator, a large weakly absorbing medium, high-order transport methods become unnecessary. In this paper we describe a hybrid discrete ordinates (S N ) method for slab lattice calculations. This hybrid S N method combines the convenience of a low-order S N method in the moderator with a high-order S N method in the fuel. We use special fuel-moderator interface conditions based on an approximate angular flux interpolation analytical method and the Laplace transform (LTS N ) numerical method to calculate the neutron flux distribution and the thermal disadvantage factor. We present numerical results for a range of typical model problems. (authors)

Numerical study of fluid motion in bioreactor with two mixers

Energy Technology Data Exchange (ETDEWEB)

Zheleva, I., E-mail: izheleva@uni-ruse.bg [Department of Heat Technology, Hydraulics and Ecology, Angel Kanchev University of Rousse, 8 Studentska str., 7017 Rousse (Bulgaria); Lecheva, A., E-mail: alecheva@uni-ruse.bg [Department of Mathematics, Angel Kanchev University of Rousse, 8 Studentska str., 7017 Rousse (Bulgaria)

2015-10-28

Numerical study of hydrodynamic laminar behavior of a viscous fluid in bioreactor with multiple mixers is provided in the present paper. The reactor is equipped with two disk impellers. The fluid motion is studied in stream function-vorticity formulation. The calculations are made by a computer program, written in MATLAB. The fluid structure is described and numerical results are graphically presented and commented.

PACE-90 water and solute transport calculations for 0.01, 0.1, and 0. 5 mm/yr infiltration into Yucca Mountain

International Nuclear Information System (INIS)

Dykhuizen, R.C.; Eaton, R.R.; Hopkins, P.L.; Martinez, M.J.

1991-12-01

Numerical results are presented for the Performance Assessment Calculational Exercise (PACE-90). One- and two-dimensional water and solute transport are presented for steady infiltration into Yucca Mountain. Evenly distributed infiltration rates of 0.01, 0.1, and 0.5 mm/yr were considered. The calculations of solute transport show that significant amounts of radionuclides can reach the water table over 100,000 yr at the 0.5 mm/yr rate. For time periods less than 10,000 yr or infiltrations less than 0.1 mm/yr very little solute reaches the water table. The numerical simulations clearly demonstrate that multi-dimensional effects can result in significant decreases in the travel time of solute through the modeled domain. Dual continuum effects are shown to be negligible for the low steady state fluxes considered. However, material heterogeneities may cause local amplification of the flux level in multi-dimensional flows. These higher flux levels may then require modeling of a dual continuum porous medium

Numerical study of unsteady viscous flow past oscillating airfoil

Energy Technology Data Exchange (ETDEWEB)

Jin Yan; Yuan Xin [Tsinghua Univ., Dept. of Thermal Engineering, Beijing (China)

2001-07-01

Accurate simulation of the dynamic stall of an oscillating airfoil is of major importance to wing and wind turbine blade design. However, dynamic stall is complicated and influenced by many factors, such as geometry shape of the airfoil, reduced frequency, etc. The difficulties of simulation are both mathematical (numerical method) and physical (turbulence model). The present paper has introduced a new numerical method (new LU-type scheme and fourth-order higher resolution MUSCL TVD scheme) and q-{omega} turbulence modelling to calculate the unsteady flowfields of an oscillating NACA0015 airfoil. The test targets include attached flow, light-stall and deep-stall of the airfoil. The calculated results for attached flow and light-stall are in good agreement with those of experiments. The calculated results for deep-stall also show improvement, especially during the downstroke of the oscillation. However, there is still a significant difference between the results of calculation and experiment in the hysteresis curves of the drag coefficient. One reason is that the q-{omega} turbulence model still has limitations. Another is that the drag coefficient is difficult to measure and the experiments are not reliable. (Author)

An implicit numerical model for multicomponent compressible two-phase flow in porous media

Science.gov (United States)

Zidane, Ali; Firoozabadi, Abbas

2015-11-01

We introduce a new implicit approach to model multicomponent compressible two-phase flow in porous media with species transfer between the phases. In the implicit discretization of the species transport equation in our formulation we calculate for the first time the derivative of the molar concentration of component i in phase α (cα, i) with respect to the total molar concentration (ci) under the conditions of a constant volume V and temperature T. The species transport equation is discretized by the finite volume (FV) method. The fluxes are calculated based on powerful features of the mixed finite element (MFE) method which provides the pressure at grid-cell interfaces in addition to the pressure at the grid-cell center. The efficiency of the proposed model is demonstrated by comparing our results with three existing implicit compositional models. Our algorithm has low numerical dispersion despite the fact it is based on first-order space discretization. The proposed algorithm is very robust.

A numerical method to calculate flow-induced vibrations in a turbulent flow

International Nuclear Information System (INIS)

Sadaoka, Noriyuki; Umegaki, Kikuo

1993-01-01

An unsteady fluid force on structures in a turbulent flow can cause their vibration. The phenomenon is the most important among various flow-induced vibrations and it is an important subject in design nuclear plant components such as heat exchangers. A new approach to simulate flow-induced vibrations is introduced. A fully coupled analysis of fluid-structure interaction has been realized in a turbulent flow field by integrating the following calculational steps: (a) solving turbulent flow by a direct simulation method where the ALE (arbitrary Lagrangian Eulerian) type approximation is adopted to take account of structure displacements; (b) estimating fluid force on structures by integrating fluid pressure and shear stress; (c) calculating dynamic response of structures and determining the amount of displacement; (d) regenerate curvilinear grids for new geometry using the boundary-fitted coordinate transformation method. Forced vibration of a circular cylinder in a cross flow were successfully simulated and the synchronization phenomena between Karman-vortices and cylinder vibrations were clearly seen

Code-experiment comparison on wall condensation tests in the presence of non-condensable gases-Numerical calculations for containment studies

Energy Technology Data Exchange (ETDEWEB)

Malet, J., E-mail: jeanne.malet@irsn.fr [Institut de Radioprotection et de Surete Nucleaire (IRSN), PSN-RES, SCA, BP 68, 91192 Gif-sur-Yvette (France); Porcheron, E.; Dumay, F.; Vendel, J. [Institut de Radioprotection et de Surete Nucleaire (IRSN), PSN-RES, SCA, BP 68, 91192 Gif-sur-Yvette (France)

2012-12-15

Highlights: Black-Right-Pointing-Pointer Steam condensation on walls has been investigated in the TOSQAN vessel. Black-Right-Pointing-Pointer Experiments on 7 different tests have been performed. Black-Right-Pointing-Pointer Different steam injections and wall temperatures are used. Black-Right-Pointing-Pointer Simulations are performed in 2D using the TONUS code. Black-Right-Pointing-Pointer Code-experiments comparisons at many different locations show a good agreement. - Abstract: During the course of a severe Pressurized Water Reactor accident, pressurization of the containment occurs and hydrogen can be produced by the reactor core oxidation and distributed in the containment according to convection flows and wall condensation. Filmwise wall condensation in the presence of non-condensable gases is a subject of many interests and extensive studies have been performed in the past. Some empirical correlations have demonstrated their limit for extrapolation under different thermal-hydraulic conditions and at different geometries/scales. The French Institute for Radiological Protection and Nuclear Safety (IRSN) has developed a numerical tool and an experimental facility in order to investigate free convection flows in the presence of condensation. The objective of this paper is to present numerical results obtained on different wall condensation tests in 7 m{sup 3} volume vessel (TOSQAN facility), and to compare them with the experimental ones. Over eight tests are considered here, and code-experiment comparison is performed on many different locations, giving an extensive insight of the code assessment for air-steam mixture flows involving wall condensation in the presence of non-condensable gases.

Comment on 'Shang S. 2012. Calculating actual crop evapotranspiration under soil water stress conditions with appropriate numerical methods and time step. Hydrological Processes 26: 3338-3343. DOI: 10.1002/hyp.8405'

Science.gov (United States)

Yatheendradas, Soni; Narapusetty, Balachandrudu; Peters-Lidard, Christa; Funk, Christopher; Verdin, James

2014-01-01

A previous study analyzed errors in the numerical calculation of actual crop evapotranspiration (ET(sub a)) under soil water stress. Assuming no irrigation or precipitation, it constructed equations for ET(sub a) over limited soil-water ranges in a root zone drying out due to evapotranspiration. It then used a single crop-soil composite to provide recommendations about the appropriate usage of numerical methods under different values of the time step and the maximum crop evapotranspiration (ET(sub c)). This comment reformulates those ET(sub a) equations for applicability over the full range of soil water values, revealing a dependence of the relative error in numerical ET(sub a) on the initial soil water that was not seen in the previous study. It is shown that the recommendations based on a single crop-soil composite can be invalid for other crop-soil composites. Finally, a consideration of the numerical error in the time-cumulative value of ET(sub a) is discussed besides the existing consideration of that error over individual time steps as done in the previous study. This cumulative ET(sub a) is more relevant to the final crop yield.

Numerical Capacities as Domain-Specific Predictors beyond Early Mathematics Learning: A Longitudinal Study

Science.gov (United States)

Reigosa-Crespo, Vivian; González-Alemañy, Eduardo; León, Teresa; Torres, Rosario; Mosquera, Raysil; Valdés-Sosa, Mitchell

2013-01-01

The first aim of the present study was to investigate whether numerical effects (Numerical Distance Effect, Counting Effect and Subitizing Effect) are domain-specific predictors of mathematics development at the end of elementary school by exploring whether they explain additional variance of later mathematics fluency after controlling for the effects of general cognitive skills, focused on nonnumerical aspects. The second aim was to address the same issues but applied to achievement in mathematics curriculum that requires solutions to fluency in calculation. These analyses assess whether the relationship found for fluency are generalized to mathematics content beyond fluency in calculation. As a third aim, the domain specificity of the numerical effects was examined by analyzing whether they contribute to the development of reading skills, such as decoding fluency and reading comprehension, after controlling for general cognitive skills and phonological processing. Basic numerical capacities were evaluated in children of 3rd and 4th grades (n=49). Mathematics and reading achievements were assessed in these children one year later. Results showed that the size of the Subitizing Effect was a significant domain-specific predictor of fluency in calculation and also in curricular mathematics achievement, but not in reading skills, assessed at the end of elementary school. Furthermore, the size of the Counting Effect also predicted fluency in calculation, although this association only approached significance. These findings contrast with proposals that the core numerical competencies measured by enumeration will bear little relationship to mathematics achievement. We conclude that basic numerical capacities constitute domain-specific predictors and that they are not exclusively “start-up” tools for the acquisition of Mathematics; but they continue modulating this learning at the end of elementary school. PMID:24255710

An analytic solution for numerical modeling validation in electromagnetics: the resistive sphere

Science.gov (United States)

Swidinsky, Andrei; Liu, Lifei

2017-11-01

We derive the electromagnetic response of a resistive sphere to an electric dipole source buried in a conductive whole space. The solution consists of an infinite series of spherical Bessel functions and associated Legendre polynomials, and follows the well-studied problem of a conductive sphere buried in a resistive whole space in the presence of a magnetic dipole. Our result is particularly useful for controlled-source electromagnetic problems using a grounded electric dipole transmitter and can be used to check numerical methods of calculating the response of resistive targets (such as finite difference, finite volume, finite element and integral equation). While we elect to focus on the resistive sphere in our examples, the expressions in this paper are completely general and allow for arbitrary source frequency, sphere radius, transmitter position, receiver position and sphere/host conductivity contrast so that conductive target responses can also be checked. Commonly used mesh validation techniques consist of comparisons against other numerical codes, but such solutions may not always be reliable or readily available. Alternatively, the response of simple 1-D models can be tested against well-known whole space, half-space and layered earth solutions, but such an approach is inadequate for validating models with curved surfaces. We demonstrate that our theoretical results can be used as a complementary validation tool by comparing analytic electric fields to those calculated through a finite-element analysis; the software implementation of this infinite series solution is made available for direct and immediate application.

Numerical Analysis of Deflections of Multi-Layered Beams

Science.gov (United States)

Biliński, Tadeusz; Socha, Tomasz

2015-03-01

The paper concerns the rheological bending problem of wooden beams reinforced with embedded composite bars. A theoretical model of the behaviour of a multi-layered beam is presented. The component materials of this beam are described with equations for the linear viscoelastic five-parameter rheological model. Two numerical analysis methods for the long-term response of wood structures are presented. The first method has been developed with SCILAB software. The second one has been developed with the finite element calculation software ABAQUS and user subroutine UMAT. Laboratory investigations were conducted on sample beams of natural dimensions in order to validate the proposed theoretical model and verify numerical simulations. Good agreement between experimental measurements and numerical results is observed.

Numerical calculation of transient field effects in quenching superconducting magnets

International Nuclear Information System (INIS)

Schwerg, Juljan Nikolai

2010-01-01

The maximum obtainable magnetic induction of accelerator magnets, relying on normal conducting cables and iron poles, is limited to around 2 T because of ohmic losses and iron saturation. Using superconducting cables, and employing permeable materials merely to reduce the fringe field, this limit can be exceeded and fields of more than 10 T can be obtained. A quench denotes the sudden transition from the superconducting to the normal conducting state. The drastic increase in electrical resistivity causes ohmic heating. The dissipated heat yields a temperature rise in the coil and causes the quench to propagate. The resulting high voltages and excessive temperatures can result in an irreversible damage of the magnet - to the extend of a cable melt-down. The quench behavior of a magnet depends on numerous factors, e.g. the magnet design, the applied magnet protection measures, the external electrical network, electrical and thermal material properties, and induced eddy current losses. The analysis and optimization of the quench behavior is an integral part of the construction of any superconducting magnet. The dissertation is divided in three complementary parts, i.e. the thesis, the detailed treatment and the appendix. In the thesis the quench process in superconducting accelerator magnets is studied. At first, we give an overview over features of accelerator magnets and physical phenomena occurring during a quench. For all relevant effects numerical models are introduced and adapted. The different models are weakly coupled in the quench algorithm and solved by means of an adaptive time-stepping method. This allows to resolve the variation of material properties as well as time constants. The quench model is validated by means of measurement data from magnets of the Large Hadron Collider. In a second step, we show results of protection studies for future accelerator magnets. The thesis ends with a summary of the results and a critical outlook on aspects which could

Numerical calculation of transient field effects in quenching superconducting magnets

Energy Technology Data Exchange (ETDEWEB)

Schwerg, Juljan Nikolai

2010-07-01

The maximum obtainable magnetic induction of accelerator magnets, relying on normal conducting cables and iron poles, is limited to around 2 T because of ohmic losses and iron saturation. Using superconducting cables, and employing permeable materials merely to reduce the fringe field, this limit can be exceeded and fields of more than 10 T can be obtained. A quench denotes the sudden transition from the superconducting to the normal conducting state. The drastic increase in electrical resistivity causes ohmic heating. The dissipated heat yields a temperature rise in the coil and causes the quench to propagate. The resulting high voltages and excessive temperatures can result in an irreversible damage of the magnet - to the extend of a cable melt-down. The quench behavior of a magnet depends on numerous factors, e.g. the magnet design, the applied magnet protection measures, the external electrical network, electrical and thermal material properties, and induced eddy current losses. The analysis and optimization of the quench behavior is an integral part of the construction of any superconducting magnet. The dissertation is divided in three complementary parts, i.e. the thesis, the detailed treatment and the appendix. In the thesis the quench process in superconducting accelerator magnets is studied. At first, we give an overview over features of accelerator magnets and physical phenomena occurring during a quench. For all relevant effects numerical models are introduced and adapted. The different models are weakly coupled in the quench algorithm and solved by means of an adaptive time-stepping method. This allows to resolve the variation of material properties as well as time constants. The quench model is validated by means of measurement data from magnets of the Large Hadron Collider. In a second step, we show results of protection studies for future accelerator magnets. The thesis ends with a summary of the results and a critical outlook on aspects which could

Efficient Sample Delay Calculation for 2-D and 3-D Ultrasound Imaging.

Science.gov (United States)

Ibrahim, Aya; Hager, Pascal A; Bartolini, Andrea; Angiolini, Federico; Arditi, Marcel; Thiran, Jean-Philippe; Benini, Luca; De Micheli, Giovanni

2017-08-01

Ultrasound imaging is a reference medical diagnostic technique, thanks to its blend of versatility, effectiveness, and moderate cost. The core computation of all ultrasound imaging methods is based on simple formulae, except for those required to calculate acoustic propagation delays with high precision and throughput. Unfortunately, advanced three-dimensional (3-D) systems require the calculation or storage of billions of such delay values per frame, which is a challenge. In 2-D systems, this requirement can be four orders of magnitude lower, but efficient computation is still crucial in view of low-power implementations that can be battery-operated, enabling usage in numerous additional scenarios. In this paper, we explore two smart designs of the delay generation function. To quantify their hardware cost, we implement them on FPGA and study their footprint and performance. We evaluate how these architectures scale to different ultrasound applications, from a low-power 2-D system to a next-generation 3-D machine. When using numerical approximations, we demonstrate the ability to generate delay values with sufficient throughput to support 10 000-channel 3-D imaging at up to 30 fps while using 63% of a Virtex 7 FPGA, requiring 24 MB of external memory accessed at about 32 GB/s bandwidth. Alternatively, with similar FPGA occupation, we show an exact calculation method that reaches 24 fps on 1225-channel 3-D imaging and does not require external memory at all. Both designs can be scaled to use a negligible amount of resources for 2-D imaging in low-power applications and for ultrafast 2-D imaging at hundreds of frames per second.

Extraction of gravitational waves in numerical relativity.

Science.gov (United States)

Bishop, Nigel T; Rezzolla, Luciano

2016-01-01

A numerical-relativity calculation yields in general a solution of the Einstein equations including also a radiative part, which is in practice computed in a region of finite extent. Since gravitational radiation is properly defined only at null infinity and in an appropriate coordinate system, the accurate estimation of the emitted gravitational waves represents an old and non-trivial problem in numerical relativity. A number of methods have been developed over the years to "extract" the radiative part of the solution from a numerical simulation and these include: quadrupole formulas, gauge-invariant metric perturbations, Weyl scalars, and characteristic extraction. We review and discuss each method, in terms of both its theoretical background as well as its implementation. Finally, we provide a brief comparison of the various methods in terms of their inherent advantages and disadvantages.

Numerical modeling of nitrogen oxide emission and experimental verification

Directory of Open Access Journals (Sweden)

Szecowka Lech

2003-12-01

Full Text Available The results of nitrogen reduction in combustion process with application of primary method are presented in paper. The reduction of NOx emission, by the recirculation of combustion gasses, staging of fuel and of air was investigated, and than the reduction of NOx emission by simultaneous usage of the mentioned above primary method with pulsatory disturbances.The investigations contain numerical modeling of NOx reduction and experimental verification of obtained numerical calculation results.

Numerical evaluation of two-center integrals over Slater type orbitals

Energy Technology Data Exchange (ETDEWEB)

Kurt, S. A., E-mail: slaykurt@gmail.com [Department of Physics, Natural Sciences Institute, Ondokuz Mayıs University, 55139, Samsun (Turkey); Yükçü, N., E-mail: nyukcu@gmail.com [Department of Energy Systems Engineering, Faculty of Technology, Adıyaman University, 02040, Adıyaman (Turkey)

2016-03-25

Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs) are used usually as basis functions in the multicenter molecular integrals to better understand physical and chemical properties of matter. In this work, we develop algorithms for two-center overlap and two-center two-electron hybrid and Coulomb integrals which are calculated with help of translation method for STOs and some auxiliary functions by V. Magnasco’s group. We use Mathematica programming language to produce algorithms for these calculations. Numerical results for some quantum numbers are presented in the tables. Consequently, we compare our obtained numerical results with the other known literature results and other details of evaluation method are discussed.

Numerical evaluation of two-center integrals over Slater type orbitals

International Nuclear Information System (INIS)

Kurt, S. A.; Yükçü, N.

2016-01-01

Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs) are used usually as basis functions in the multicenter molecular integrals to better understand physical and chemical properties of matter. In this work, we develop algorithms for two-center overlap and two-center two-electron hybrid and Coulomb integrals which are calculated with help of translation method for STOs and some auxiliary functions by V. Magnasco’s group. We use Mathematica programming language to produce algorithms for these calculations. Numerical results for some quantum numbers are presented in the tables. Consequently, we compare our obtained numerical results with the other known literature results and other details of evaluation method are discussed.

Numerical simulation for two-phase jet problem

International Nuclear Information System (INIS)

Lee, W.H.; Shah, V.L.

1981-01-01

A computer program TWOP was developed for obtaining the numerical solutions of three-dimensional, transient, two-phase flow system with nonequilibrium and nonhomogeneous conditions. TWOP employs two-fluid model and a set of the conservation equations formulated by Harlow and Amsden along with their Implicit Multi-Field (IMF) numerical technique that allows all degrees of couplings between the two fields. We have further extended the procedure of Harlow and Amsden by incorporating the implicit couplings of phase transition and interfacial heat transfer terms in the energy equations. Numerical results of two tested problems are presented to demonstrate the capabilities of the TWOP code. The first problem is the separation of vapor and liquid, showing that the code can handle the computational difficulties such as liquid packing and sharp interface phenomena. The second problem is the high pressure two-phase jet impinged on vertical plate, demonstrating the important role of the interfacial mass and momentum exchange

An Ada environment for relativistic cross section calculations

International Nuclear Information System (INIS)

Nilsson, E.

1990-01-01

We have developed an Ada environment adapted to relativistic cross section calculations. Objects such as four-vectors, γ- matrices and propagators are defined as well as operations between these objects. In this environment matrix elements can be expressed in a compact and readable way as Ada code. Unpolarized cross sections are calculated numerically by explicitly summing and averaging over spins and polarizations. A short presentation of the technique is given

An efficient method to calculate excitation energy transfer in light-harvesting systems: application to the Fenna-Matthews-Olson complex

International Nuclear Information System (INIS)

Ritschel, Gerhard; Roden, Jan; Eisfeld, Alexander; Strunz, Walter T

2011-01-01

A master equation derived from non-Markovian quantum state diffusion is used to calculate the excitation energy transfer in the photosynthetic Fenna-Matthews-Olson pigment-protein complex at various temperatures. This approach allows us to treat spectral densities that explicitly contain the coupling to internal vibrational modes of the chromophores. Moreover, the method is very efficient and as a result the transfer dynamics can be calculated within about 1 min on a standard PC, making systematic investigations w.r.t. parameter variations tractable. After demonstrating that our approach is able to reproduce the results of the numerically exact hierarchical equations of motion approach, we show how the inclusion of vibrational modes influences the transfer. (paper)

Numerical ability predicts mortgage default.

Science.gov (United States)

Gerardi, Kristopher; Goette, Lorenz; Meier, Stephan

2013-07-09

Unprecedented levels of US subprime mortgage defaults precipitated a severe global financial crisis in late 2008, plunging much of the industrialized world into a deep recession. However, the fundamental reasons for why US mortgages defaulted at such spectacular rates remain largely unknown. This paper presents empirical evidence showing that the ability to perform basic mathematical calculations is negatively associated with the propensity to default on one's mortgage. We measure several aspects of financial literacy and cognitive ability in a survey of subprime mortgage borrowers who took out loans in 2006 and 2007, and match them to objective, detailed administrative data on mortgage characteristics and payment histories. The relationship between numerical ability and mortgage default is robust to controlling for a broad set of sociodemographic variables, and is not driven by other aspects of cognitive ability. We find no support for the hypothesis that numerical ability impacts mortgage outcomes through the choice of the mortgage contract. Rather, our results suggest that individuals with limited numerical ability default on their mortgage due to behavior unrelated to the initial choice of their mortgage.

Numerical ability predicts mortgage default

Science.gov (United States)

Gerardi, Kristopher; Goette, Lorenz; Meier, Stephan

2013-01-01

Unprecedented levels of US subprime mortgage defaults precipitated a severe global financial crisis in late 2008, plunging much of the industrialized world into a deep recession. However, the fundamental reasons for why US mortgages defaulted at such spectacular rates remain largely unknown. This paper presents empirical evidence showing that the ability to perform basic mathematical calculations is negatively associated with the propensity to default on one’s mortgage. We measure several aspects of financial literacy and cognitive ability in a survey of subprime mortgage borrowers who took out loans in 2006 and 2007, and match them to objective, detailed administrative data on mortgage characteristics and payment histories. The relationship between numerical ability and mortgage default is robust to controlling for a broad set of sociodemographic variables, and is not driven by other aspects of cognitive ability. We find no support for the hypothesis that numerical ability impacts mortgage outcomes through the choice of the mortgage contract. Rather, our results suggest that individuals with limited numerical ability default on their mortgage due to behavior unrelated to the initial choice of their mortgage. PMID:23798401

Numerical Investigations of Moisture Distribution in a Selected Anisotropic Soil Medium

Science.gov (United States)

Iwanek, M.

2018-01-01

The moisture of soil profile changes both in time and space and depends on many factors. Changes of the quantity of water in soil can be determined on the basis of in situ measurements, but numerical methods are increasingly used for this purpose. The quality of the results obtained using pertinent software packages depends on appropriate description and parameterization of soil medium. Thus, the issue of providing for the soil anisotropy phenomenon gains a big importance. Although anisotropy can be taken into account in many numerical models, isotopic soil is often assumed in the research process. However, this assumption can be a reason for incorrect results in the simulations of water changes in soil medium. In this article, results of numerical simulations of moisture distribution in the selected soil profile were presented. The calculations were conducted assuming isotropic and anisotropic conditions. Empirical verification of the results obtained in the numerical investigations indicated statistical essential discrepancies for the both analyzed conditions. However, better fitting measured and calculated moisture values was obtained for the case of providing for anisotropy in the simulation model.