WorldWideScience

Sample records for calculation methods

  1. Methods for Melting Temperature Calculation

    Science.gov (United States)

    Hong, Qi-Jun

    Melting temperature calculation has important applications in the theoretical study of phase diagrams and computational materials screenings. In this thesis, we present two new methods, i.e., the improved Widom's particle insertion method and the small-cell coexistence method, which we developed in order to capture melting temperatures both accurately and quickly. We propose a scheme that drastically improves the efficiency of Widom's particle insertion method by efficiently sampling cavities while calculating the integrals providing the chemical potentials of a physical system. This idea enables us to calculate chemical potentials of liquids directly from first-principles without the help of any reference system, which is necessary in the commonly used thermodynamic integration method. As an example, we apply our scheme, combined with the density functional formalism, to the calculation of the chemical potential of liquid copper. The calculated chemical potential is further used to locate the melting temperature. The calculated results closely agree with experiments. We propose the small-cell coexistence method based on the statistical analysis of small-size coexistence MD simulations. It eliminates the risk of a metastable superheated solid in the fast-heating method, while also significantly reducing the computer cost relative to the traditional large-scale coexistence method. Using empirical potentials, we validate the method and systematically study the finite-size effect on the calculated melting points. The method converges to the exact result in the limit of a large system size. An accuracy within 100 K in melting temperature is usually achieved when the simulation contains more than 100 atoms. DFT examples of Tantalum, high-pressure Sodium, and ionic material NaCl are shown to demonstrate the accuracy and flexibility of the method in its practical applications. The method serves as a promising approach for large-scale automated material screening in which

  2. Friction and wear calculation methods

    CERN Document Server

    Kragelsky, I V; Kombalov, V S

    1981-01-01

    Friction and Wear: Calculation Methods provides an introduction to the main theories of a new branch of mechanics known as """"contact interaction of solids in relative motion."""" This branch is closely bound up with other sciences, especially physics and chemistry. The book analyzes the nature of friction and wear, and some theoretical relationships that link the characteristics of the processes and the properties of the contacting bodies essential for practical application of the theories in calculating friction forces and wear values. The effect of the environment on friction and wear is a

  3. Pile Load Capacity – Calculation Methods

    Directory of Open Access Journals (Sweden)

    Wrana Bogumił

    2015-12-01

    Full Text Available The article is a review of the current problems of the foundation pile capacity calculations. The article considers the main principles of pile capacity calculations presented in Eurocode 7 and other methods with adequate explanations. Two main methods are presented: α – method used to calculate the short-term load capacity of piles in cohesive soils and β – method used to calculate the long-term load capacity of piles in both cohesive and cohesionless soils. Moreover, methods based on cone CPTu result are presented as well as the pile capacity problem based on static tests.

  4. Assessment of seismic margin calculation methods

    Energy Technology Data Exchange (ETDEWEB)

    Kennedy, R.P.; Murray, R.C.; Ravindra, M.K.; Reed, J.W.; Stevenson, J.D.

    1989-03-01

    Seismic margin review of nuclear power plants requires that the High Confidence of Low Probability of Failure (HCLPF) capacity be calculated for certain components. The candidate methods for calculating the HCLPF capacity as recommended by the Expert Panel on Quantification of Seismic Margins are the Conservative Deterministic Failure Margin (CDFM) method and the Fragility Analysis (FA) method. The present study evaluated these two methods using some representative components in order to provide further guidance in conducting seismic margin reviews. It is concluded that either of the two methods could be used for calculating HCLPF capacities. 21 refs., 9 figs., 6 tabs.

  5. Calculation Methods for Wallenius’ Noncentral Hypergeometric Distribution

    DEFF Research Database (Denmark)

    Fog, Agner

    2008-01-01

    distribution are derived. Range of applicability, numerical problems, and efficiency are discussed for each method. Approximations to the mean and variance are also discussed. This distribution has important applications in models of biased sampling and in models of evolutionary systems....... is the conditional distribution of independent binomial variates given their sum. No reliable calculation method for Wallenius' noncentral hypergeometric distribution has hitherto been described in the literature. Several new methods for calculating probabilities from Wallenius' noncentral hypergeometric...

  6. Eigenvalue translation method for mode calculations.

    Science.gov (United States)

    Gerck, E; Cruz, C H

    1979-05-01

    A new method is described for the first few modes calculations in a interferometer that has several advantages over the Allmat subroutine, the Prony method, and the Fox and Li method. In the illustrative results shown for some cases it can be seen that the eigenvalue translation method is typically 100-fold times faster than the usual Fox and Li method and ten times faster than Allmat.

  7. Relaxation Method For Calculating Quantum Entanglement

    CERN Document Server

    Tucci, R R

    2001-01-01

    In a previous paper, we showed how entanglement of formation can be defined as a minimum of the quantum conditional mutual information (a.k.a. quantum conditional information transmission). In classical information theory, the Arimoto-Blahut method is one of the preferred methods for calculating extrema of mutual information. We present a new method akin to the Arimoto-Blahut method for calculating entanglement of formation. We also present several examples computed with a computer program called Causa Comun that implements the ideas of this paper.

  8. Multigrid Methods in Electronic Structure Calculations

    CERN Document Server

    Briggs, E L; Bernholc, J

    1996-01-01

    We describe a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods provide effective convergence acceleration and preconditioning on all length scales, thereby permitting efficient calculations for ill-conditioned systems with long length scales or high energy cut-offs. We discuss specific implementations of multigrid and real-space algorithms for electronic structure calculations, including an efficient multigrid-accelerated solver for Kohn-Sham equations, compact yet accurate discretization schemes for the Kohn-Sham and Poisson equations, optimized pseudo\\-potentials for real-space calculations, efficacious computation of ionic forces, and a complex-wavefunction implementation for arbitrary sampling of the Brillioun zone. A particular strength of a real-space multigrid approach is its ready adaptability to massively parallel computer architectures, and we present an implementation for the Cray-T3D with essen...

  9. Calculation methods of the nuclear characteristics

    CERN Document Server

    Dubovichenko, S B

    2010-01-01

    In the book the mathematical methods of nuclear cross sections and phases of elastic scattering, energy and characteristics of bound states in two- and three-particle nuclear systems, when the potentials of interaction contain not only central, but also tensor component, are presented. Are given the descriptions of the mathematical numerical calculation methods and computer programs in the algorithmic language "BASIC" for "Turbo Basic" of firm "Borland" for the computers of the type IBM PC AT. For the numerical solutions of the initial Schroedinger equations are used finite- difference and variational methods, and also method of Runge-Kutta with the automatic calling sequence on the assigned accuracy of results for the scattering phase shifts and binding energy. Is given the description not of the standard methods of solving the system of equations of Schroedinger to the bound states and the alternative to Schmidt's method, method of solution of the generalized matrix problem at the eigenvalues. The developed...

  10. Modified embedded atom method calculations of interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baskes, M.I.

    1996-05-01

    The Embedded Atom Method (EAM) is a semi-empirical calculational method developed a decade ago to calculate the properties of metallic systems. By including many-body effects this method has proven to be quite accurate in predicting bulk and surface properties of metals and alloys. Recent modifications have extended this applicability to a large number of elements in the periodic table. For example the modified EAM (MEAM) is able to include the bond-bending forces necessary to explain the elastic properties of semiconductors. This manuscript will briefly review the MEAM and its application to the binary systems discussed below. Two specific examples of interface behavior will be highlighted to show the wide applicability of the method. In the first example a thin overlayer of nickel on silicon will be studied. Note that this example is representative of an important technological class of materials, a metal on a semiconductor. Both the structure of the Ni/Si interface and its mechanical properties will be presented. In the second example the system aluminum on sapphire will be examined. Again the class of materials is quite different, a metal on an ionic material. The calculated structure and energetics of a number of (111) Al layers on the (0001) surface of sapphire will be compared to recent experiments.

  11. Nonlinear calculating method of pile settlement

    Institute of Scientific and Technical Information of China (English)

    贺炜; 王桂尧; 王泓华

    2008-01-01

    To study calculating method of settlement on top of extra-long large-diameter pile, the relevant research results were summarized. The hyperbola model, a nonlinear load transfer function, was introduced to establish the basic differential equation with load transfer method. Assumed that the displacement of pile shaft was the high order power series of buried depth, through merging the same orthometric items and arranging the relevant coefficients, the solution which could take the nonlinear pile-soil interaction and stratum properties of soil into account was solved by power series. On the basis of the solution, by determining the load transfer depth with criterion of settlement on pile tip, the method by making boundary conditions compatible was advised to solve the load-settlement curve of pile. The relevant flow chart and mathematic expressions of boundary conditions were also listed. Lastly, the load transfer methods based on both two-broken-line model and hyperbola model were applied to analyzing a real project. The related coefficients of fitting curves by hyperbola were not less than 0.96, which shows that the hyperbola model is truthfulness, and is propitious to avoid personal error. The calculating value of load-settlement curve agrees well with the measured one, which indicates that it can be applied in engineering practice and making the theory that limits the design bearing capacity by settlement on pile top comes true.

  12. Group Contribution Methods for Phase Equilibrium Calculations.

    Science.gov (United States)

    Gmehling, Jürgen; Constantinescu, Dana; Schmid, Bastian

    2015-01-01

    The development and design of chemical processes are carried out by solving the balance equations of a mathematical model for sections of or the whole chemical plant with the help of process simulators. For process simulation, besides kinetic data for the chemical reaction, various pure component and mixture properties are required. Because of the great importance of separation processes for a chemical plant in particular, a reliable knowledge of the phase equilibrium behavior is required. The phase equilibrium behavior can be calculated with the help of modern equations of state or g(E)-models using only binary parameters. But unfortunately, only a very small part of the experimental data for fitting the required binary model parameters is available, so very often these models cannot be applied directly. To solve this problem, powerful predictive thermodynamic models have been developed. Group contribution methods allow the prediction of the required phase equilibrium data using only a limited number of group interaction parameters. A prerequisite for fitting the required group interaction parameters is a comprehensive database. That is why for the development of powerful group contribution methods almost all published pure component properties, phase equilibrium data, excess properties, etc., were stored in computerized form in the Dortmund Data Bank. In this review, the present status, weaknesses, advantages and disadvantages, possible applications, and typical results of the different group contribution methods for the calculation of phase equilibria are presented.

  13. Methods for Calculation of Geogenetic Depth

    Institute of Scientific and Technical Information of China (English)

    Liu Ruixun; Lü Guxian; Wang Fangzheng; Wei Changshan; Guo Chusun

    2004-01-01

    Some current methods for the calculation of the geogenetic depth are based on the hydrostatic model, it is induced that the depth in certain underground place is equal to the pressure divided by the specific weight of rock, on the assumption that the rock is hydrostatic and overlain by no other force but gravity. However, most of rock is in a deformation environment and non-hydrostatic state, especially in an orogenic belt, so that the calculated depth may be exaggerated in comparison with the actual depth according to the hydrostatic formula. In the finite slight deformation and elastic model, the relative actual depth value from the 3-axis strain data was obtained with the measurement of strain including that of superimposed tectonic forces but excluding that of time factor for the strain. If some data on the strain speed are obtained, the depth would be more realistically calculated according to the rheological model because the geological body often experiences long-term creep strains.

  14. Proton Affinity Calculations with High Level Methods.

    Science.gov (United States)

    Kolboe, Stein

    2014-08-12

    Proton affinities, stretching from small reference compounds, up to the methylbenzenes and naphthalene and anthracene, have been calculated with high accuracy computational methods, viz. W1BD, G4, G3B3, CBS-QB3, and M06-2X. Computed and the currently accepted reference proton affinities are generally in excellent accord, but there are deviations. The literature value for propene appears to be 6-7 kJ/mol too high. Reported proton affinities for the methylbenzenes seem 4-5 kJ/mol too high. G4 and G3 computations generally give results in good accord with the high level W1BD. Proton affinity values computed with the CBS-QB3 scheme are too low, and the error increases with increasing molecule size, reaching nearly 10 kJ/mol for the xylenes. The functional M06-2X fails markedly for some of the small reference compounds, in particular, for CO and ketene, but calculates methylbenzene proton affinities with high accuracy.

  15. ANALYTICAL METHODS FOR CALCULATING FAN AERODYNAMICS

    Directory of Open Access Journals (Sweden)

    Jan Dostal

    2015-12-01

    Full Text Available This paper presents results obtained between 2010 and 2014 in the field of fan aerodynamics at the Department of Composite Technology at the VZLÚ aerospace research and experimental institute in Prague – Letnany. The need for rapid and accurate methods for the preliminary design of blade machinery led to the creation of a mathematical model based on the basic laws of turbomachine aerodynamics. The mathematical model, the derivation of which is briefly described below, has been encoded in a computer programme, which enables the theoretical characteristics of a fan of the designed geometry to be determined rapidly. The validity of the mathematical model is assessed continuously by measuring model fans in the measuring unit, which was developed and manufactured specifically for this purpose. The paper also presents a comparison between measured characteristics and characteristics determined by the mathematical model as the basis for a discussion on possible causes of measured deviations and calculation deviations.

  16. The matrix method to calculate page rank

    Directory of Open Access Journals (Sweden)

    H. Barboucha, M. Nasri

    2014-06-01

    Full Text Available Choosing the right keywords is relatively easy, whereas getting a high PageRank is more complicated. The index Page Rank is what defines the position in the result pages of search engines (for Google of course, but the other engines are now using more or less the same kind of algorithm. It is therefore very important to understand how this type of algorithm functions to hope to appear on the first page of results (the only page read in 95 % of cases or at least be among the first. We propose in this paper to clarify the operation of this algorithm using a matrix method and a JavaScript program enabling to experience this type of analysis. It is of course a simplified version, but it can add value to the website and achieve a high ranking in the search results and reach a larger customer base. The interest is to disclose an algorithm to calculate the relevance of each page. This is in fact a mathematical algorithm based on a web graph. This graph is formed of all the web pages that are modeled by nodes, and hyperlinks that are modeled by arcs.

  17. New method for calculation of integral characteristics of thermal plumes

    DEFF Research Database (Denmark)

    Zukowska, Daria; Popiolek, Zbigniew; Melikov, Arsen Krikor

    2008-01-01

    A method for calculation of integral characteristics of thermal plumes is proposed. The method allows for determination of the integral parameters of plumes based on speed measurements performed with omnidirectional low velocity thermoanemometers. The method includes a procedure for calculation...

  18. Calculation Method for Normal Inducedlongitudinal Voltage on Pilot Cable

    Directory of Open Access Journals (Sweden)

    Abdelaziz B.M. Kamel,

    2014-09-01

    Full Text Available In this paper a full study and detailed calculations of the induced voltage in pilot cables are carried out. First an introduction showing the importance of the induced voltage and its effect in pilot cables. The first calculation method Flat Formation. The second calculation method Trefoil Formation. Then the results obtained for both methods and compared. Finally a conclusion is conduct.

  19. Improvement of Neutronics Calculation Methods for Fast Reactors

    OpenAIRE

    Takeda, Toshikazu

    2011-01-01

    To accurately estimate neutronics properties of fast reactors, particularly Japan Sodium-cooled Fast Reactor of1,500 MW electric, calculational methods are being improved in Japan.This paper describes the planning and the ongoing development of the neutronics calculation methods in the fieldof 1) assembly calculations including the calculations of effective cross sections, 2) core calculations and 3) uncertaintyevaluation and uncertainty reduction.

  20. Eikonal method for calculation of coherence functions.

    Science.gov (United States)

    Zysk, Adam M; Carney, P Scott; Schotland, John C

    2005-07-22

    A method is presented for computing the cross-spectral density of a special class of partially coherent fields in which the coherent modes obey an eikonal equation. This method allows for statistical analysis of optical systems based on simple ray tracing.

  1. Methods of calculating radiation absorbed dose.

    Science.gov (United States)

    Wegst, A V

    1987-01-01

    The new tumoricidal radioactive agents being developed will require a careful estimate of radiation absorbed tumor and critical organ dose for each patient. Clinical methods will need to be developed using standard imaging or counting instruments to determine cumulated organ activities with tracer amounts before the therapeutic administration of the material. Standard MIRD dosimetry methods can then be applied.

  2. COSTS CALCULATION OF TARGET COSTING METHOD

    Directory of Open Access Journals (Sweden)

    Sebastian UNGUREANU

    2014-06-01

    Full Text Available Cost information system plays an important role in every organization in the decision making process. An important task of management is ensuring control of the operations, processes, sectors, and not ultimately on costs. Although in achieving the objectives of an organization compete more control systems (production control, quality control, etc., the cost information system is important because monitors results of the other. Detailed analysis of costs, production cost calculation, quantification of losses, estimate the work efficiency provides a solid basis for financial control. Knowledge of the costs is a decisive factor in taking decisions and planning future activities. Managers are concerned about the costs that will appear in the future, their level underpinning the supply and production decisions as well as price policy. An important factor is the efficiency of cost information system in such a way that the information provided by it may be useful for decisions and planning of the work.

  3. Calculation of radon concentration in water by toluene extraction method

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Masaaki [Tokyo Metropolitan Isotope Research Center (Japan)

    1997-02-01

    Noguchi method and Horiuchi method have been used as the calculation method of radon concentration in water. Both methods have two problems in the original, that is, the concentration calculated is changed by the extraction temperature depend on the incorrect solubility data and the concentration calculated are smaller than the correct values, because the radon calculation equation does not true to the gas-liquid equilibrium theory. However, the two problems are solved by improving the radon equation. I presented the Noguchi-Saito equation and the constant B of Horiuchi-Saito equation. The calculating results by the improved method showed about 10% of error. (S.Y.)

  4. Fast variation method for elastic strip calculation.

    Science.gov (United States)

    Biryukov, Sergey V

    2002-05-01

    A new, fast, variation method (FVM) for determining an elastic strip response to stresses arbitrarily distributed on the flat side of the strip is proposed. The remaining surface of the strip may have an arbitrary form, and it is free of stresses. The FVM, as well as the well-known finite element method (FEM), starts with the variational principle. However, it does not use the meshing of the strip. A comparison of FVM results with the exact analytical solution in the special case of shear stresses and a rectangular strip demonstrates an excellent agreement.

  5. Deconstructing Calculation Methods, Part 4: Division

    Science.gov (United States)

    Thompson, Ian

    2008-01-01

    In the final article of a series of four, the author deconstructs the primary national strategy's approach to written division. The approach to division is divided into five stages: (1) mental division using partition; (2) short division of TU / U; (3) "expanded" method for HTU / U; (4) short division of HTU / U; and (5) long division. [For part…

  6. Numerical calculation of lubrication methods and programs

    CERN Document Server

    Huang, Ping

    2013-01-01

    This book describes basic lubrication problems and specific engineering applications. It focuses on the Reynolds equation, illustrating solutions with different conditions and discrete forms, such as dynamic bearing or grease lubrication. Thermal fluid lubrication problems are addressed by combining the Reynolds and energy equation solution, while the topic of elastohydrodynamic lubrication illustrates a combination of programs, join solution methods, and the Reynolds equation. Additional programs address lubrication for different parts with specific design, such as the magnetic hard disk/head

  7. 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)]. e-mail: jean_hennart@hotmail.com; 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)

  8. Quantum Monte Carlo diagonalization method as a variational calculation

    Energy Technology Data Exchange (ETDEWEB)

    Mizusaki, Takahiro; Otsuka, Takaharu [Tokyo Univ. (Japan). Dept. of Physics; Honma, Michio

    1997-05-01

    A stochastic method for performing large-scale shell model calculations is presented, which utilizes the auxiliary field Monte Carlo technique and diagonalization method. This method overcomes the limitation of the conventional shell model diagonalization and can extremely widen the feasibility of shell model calculations with realistic interactions for spectroscopic study of nuclear structure. (author)

  9. A Damping Characteristics Calculation Method of Metal Dry Friction Isolators

    Institute of Scientific and Technical Information of China (English)

    JIANG Hong-yuan; HAO De-gang; XIA Yu-hong; ULANOV A M; PONOMAREV Yu K

    2008-01-01

    The dry friction ring-type vibration isolator is considered as an isotropic continuous medium. A method of dry friction hysteresis loop calculation is proposed based on friction force analysis of contact beam. The friction force is modeled as an equivalent distributed moment to use the finite element method (FEM) to calculate the dry friction vibration isolator hysteresis loop, so the damping characteristics can be obtained. A comparison of the hysteresis loop calculation results and the experimental results shows the average relative error is 2.7%, it proves the calculation method is feasible.

  10. Some methods for calculation of perturbations in nuclear reactors

    Energy Technology Data Exchange (ETDEWEB)

    Abramov, B. D., E-mail: abramov@ippe.ru [Leypunsky Institute of Physics and Power Engineering (Russian Federation)

    2015-12-15

    Some methods for calculation of local perturbations of neutron fields and reactivity effects accompanying them are considered. Existence, uniqueness, properties and methods for finding solutions to the considered problems are discussed.

  11. A method for calculating the productivity of cable communications networks

    Science.gov (United States)

    Shulikin, S. N.; Shulikina, M. S.; Maryin, S. S.; Vinogradova, D. V.; Zavgorodnyaya, M. E.

    2016-04-01

    A probabilistic-mathematical instrument was used to develop a method for calculating the productivity of a cable line. The effect of deviation of factors from data of recording devices was determined when identifying random stream characteristics. The developed method was used to perform predictive calculation of the productivity of the modern cable communication line.

  12. A New Method for Calculating the Thermoelectric Efficiency

    Institute of Scientific and Technical Information of China (English)

    吴一东; 王志敏; 何元金

    2004-01-01

    We present an approximate method for calculating the thermoelectric effciency. The method has a high precision and is applicable to almost all of the thermoelectric devices. The expression for the thermoelectric efficiency we obtained does not involve the position variable, so the calculations are simplified greatly.

  13. Approximate design calculation methods for radiation streaming in shield irregularities

    Energy Technology Data Exchange (ETDEWEB)

    Miura, Toshimasa; Hirao, Yoshihiro [Ship Research Inst., Mitaka, Tokyo (Japan); Yoritsune, Tsutomu

    1997-10-01

    Investigation and assessment are made for approximate design calculation methods of radiation streaming in shield irregularities. Investigation is made for (1) source, (2) definition of streaming radiation components, (3) calculation methods of streaming radiation, (4) streaming formulas for each irregularity, (5) difficulties in application of streaming formulas, etc. Furthermore, investigation is made for simple calculation codes and albedo data. As a result, it is clarified that streaming calculation formulas are not enough to cover various irregularities and their accuracy or application limit is not sufficiently clear. Accurate treatment is not made in the formulas with respect to the radiation behavior for slant incidence, bend part, offset etc., that results in too much safety factors in the design calculation and distrust of the streaming calculation. To overcome the state and improve the accuracy of the design calculation for shield irregularities, it is emphasized to assess existing formulas and develop better formulas based on systematic experimental studies. (author)

  14. Iterative acceleration methods for Monte Carlo and deterministic criticality calculations

    Energy Technology Data Exchange (ETDEWEB)

    Urbatsch, T.J.

    1995-11-01

    If you have ever given up on a nuclear criticality calculation and terminated it because it took so long to converge, you might find this thesis of interest. The author develops three methods for improving the fission source convergence in nuclear criticality calculations for physical systems with high dominance ratios for which convergence is slow. The Fission Matrix Acceleration Method and the Fission Diffusion Synthetic Acceleration (FDSA) Method are acceleration methods that speed fission source convergence for both Monte Carlo and deterministic methods. The third method is a hybrid Monte Carlo method that also converges for difficult problems where the unaccelerated Monte Carlo method fails. The author tested the feasibility of all three methods in a test bed consisting of idealized problems. He has successfully accelerated fission source convergence in both deterministic and Monte Carlo criticality calculations. By filtering statistical noise, he has incorporated deterministic attributes into the Monte Carlo calculations in order to speed their source convergence. He has used both the fission matrix and a diffusion approximation to perform unbiased accelerations. The Fission Matrix Acceleration method has been implemented in the production code MCNP and successfully applied to a real problem. When the unaccelerated calculations are unable to converge to the correct solution, they cannot be accelerated in an unbiased fashion. A Hybrid Monte Carlo method weds Monte Carlo and a modified diffusion calculation to overcome these deficiencies. The Hybrid method additionally possesses reduced statistical errors.

  15. A New Thermodynamic Calculation Method for Binary Alloys: Part I: Statistical Calculation of Excess Functions

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The improved form of calculation formula for the activities of the components in binary liquids and solid alloys has been derived based on the free volume theory considering excess entropy and Miedema's model for calculating the formation heat of binary alloys. A calculation method of excess thermodynamic functions for binary alloys, the formulas of integral molar excess properties and partial molar excess properties for solid ordered or disordered binary alloys have been developed. The calculated results are in good agreement with the experimental values.

  16. CALCULATION OF COMPANY COSTS THROUGH THE DIRECT-COSTING CALCULATION METHOD

    Directory of Open Access Journals (Sweden)

    Florin-Constantin DIMA

    2013-06-01

    Full Text Available The cost of production has as its starting point the purchase cost of raw materials and consumables, as well as their processing cost and the calculation of the production cost involves complex aspects. This article is based on the two major concepts of costs calculation, namely the concept of full costs and the concept of partial costs, and it analyses the direct-costing calculation method. Necessity of the Development of calculation methods to ensure rapid determination of the cost of production, and the establishment of indicators broad spectrum of information necessary for making decisions to streamline a business activity conducted by direct-costing method. Direct-costing method appeared in the U.S. for the first time in 1934 (applied by Jonathan Harris and G. Charter Harrison. Subsequently, this method was applied to European countries (England, France, Germany etc.. We stopped on this method because it is considered a modern method of costing. Therefore, we analyzed both advantages and limitations of the method in question

  17. Theoretical and methodical support of calculating expenses for quality

    OpenAIRE

    Пархоменко, Валерій Миколайович

    2015-01-01

    A hybrid models of calculating expenses for quality on the full life cycle in combination with types of expenses on purpose and model of goods costing considering expenses for quality by standard-functional method have been developed.

  18. Calculation Method for Media in Ball Mills by Layers

    Institute of Scientific and Technical Information of China (English)

    徐志强; 张荣曾; 曾鸣

    2002-01-01

    Based on analyzing the moving principle of media in ball mill, it is implicated that there is the significant difference of movement situation among each single layer. A new method to calculate each single was put forward. The results from lab experiment and actual data from 26 sets industrial mills state indicate that the new calculation method reaches the high accuracy with excellent practicab ility.

  19. Methods for the calculation of surface free energy of solids

    OpenAIRE

    M. Żenkiewicz

    2007-01-01

    Purpose: The main purpose of this paper is the analysis of the most common methods for the calculation of the surface free energy (SFE) of solids, utilising the results of the contact angle measurements. The calculation deals also with the SFE at the interface, especially that at the surface of polymers and polymeric materials. The survey has been meant to ease the understanding of physical processes occurring at the solid-liquid interface and to help to find proper measuring methods with res...

  20. A Monte Carlo Method for Calculating Initiation Probability

    Energy Technology Data Exchange (ETDEWEB)

    Greenman, G M; Procassini, R J; Clouse, C J

    2007-03-05

    A Monte Carlo method for calculating the probability of initiating a self-sustaining neutron chain reaction has been developed. In contrast to deterministic codes which solve a non-linear, adjoint form of the Boltzmann equation to calculate initiation probability, this new method solves the forward (standard) form of the equation using a modified source calculation technique. Results from this new method are compared with results obtained from several deterministic codes for a suite of historical test problems. The level of agreement between these code predictions is quite good, considering the use of different numerical techniques and nuclear data. A set of modifications to the historical test problems has also been developed which reduces the impact of neutron source ambiguities on the calculated probabilities.

  1. Methods of Calculating Ship Resistance on Limited Waterways

    Directory of Open Access Journals (Sweden)

    Skupień Emilia

    2015-01-01

    Full Text Available Nowadays predicting transportation costs is more and more important. Most significant part of inland navigation's costs are the costs of fuel. Fuel consumption is related to operating conditions of ship's propulsion system and its resistance. On inland waterways the ship resistance is strictly related to the depth of the waterway. There is a tendency to build a formula that allows its user to calculate the resistance of any inland waterway vessel, but researches claim that most of them are accurate only for particular types of ships and/or operating conditions. The paper presents selected methods of calculating ship resistance on inland waterways. These methods are examined for different types of ships and different conditions using results of model tests. The performed comparison enabled selecting the best option for pushboats and pushed barge trains, but also showed that any of the tested methods is good enough to be used for calculating the resistance of motor cargo vessels. For this reason, based on known equations and using the regression method, the authors have formulated a new method to calculate the resistance of motor cargo vessels on limited waterway. The method makes use of ship's geometry and depth of waterway in relation to ship's speed. Correlating the ship's speed with its resistance and going further with fuel consumption, enables to calculate the costs of voyage depending on the delivery time. The comparison of the methods shows that the new equation provides good accuracy in all examined speed ranges and all examined waterway depths.

  2. Efficient Calculation of Near Fields in the FDTD Method

    DEFF Research Database (Denmark)

    Franek, Ondrej

    2011-01-01

    When calculating frequency-domain near fields by the FDTD method, almost 50 % reduction in memory and CPU operations can be achieved if only E-fields are stored during the main time-stepping loop and H-fields computed later. An improved method of obtaining the H-fields from Faraday's Law...

  3. New methods for neutron response calculations with MCNP

    Energy Technology Data Exchange (ETDEWEB)

    Hendricks, J.S. [Los Alamos National Lab., NM (United States). Applied Theoretical and Computational Physics Div.

    1997-05-01

    MCNP4B was released for international distribution in February, 1997. The author summarized the new MCNP4B features since the release of MCNP4A over three years earlier and compare some results. Then he describes new methods being developed for future code releases. The focus is methods and applications of ex-core neutron response calculations.

  4. Refinement of thermal imager minimum resolvable temperature difference calculating method

    Science.gov (United States)

    Kolobrodov, V. G.; Mykytenko, V. I.

    2015-11-01

    Calculating methods, which accurately predict minimum resolvable temperature difference (MRTD), are of significant interest for many years. The article deals with improvement the accuracy of determining the thermal imaging system MRTD by elaboration the visual perception model. We suggest MRTD calculating algorithm, which is based on a reliable approximation of the human visual system modulation transfer function (MTF) proposed by N. Nill. There was obtained a new expression for the bandwidth evaluation, which is independent of angular size of the Foucault bar target.

  5. Calculating Method of Moments Uniform Bin Width Histograms

    OpenAIRE

    James S. Weber

    2016-01-01

    A clear articulation of Method of Moments (MOM) Histograms is instructive and has waited 121 years since 1895. Also of interest are enabling uniform bin width (UBW) shape level sets. Mean-variance MOM uniform bin width frequency and density histograms are not unique, however ranking them by histogram skewness compared to data skewness helps. Although theoretical issues rarely take second place to calculations, here calculations based on shape level sets are central and challenge uncritically ...

  6. Calculation of Solar Radiation by Using Regression Methods

    Science.gov (United States)

    Kızıltan, Ö.; Şahin, M.

    2016-04-01

    In this study, solar radiation was estimated at 53 location over Turkey with varying climatic conditions using the Linear, Ridge, Lasso, Smoother, Partial least, KNN and Gaussian process regression methods. The data of 2002 and 2003 years were used to obtain regression coefficients of relevant methods. The coefficients were obtained based on the input parameters. Input parameters were month, altitude, latitude, longitude and landsurface temperature (LST).The values for LST were obtained from the data of the National Oceanic and Atmospheric Administration Advanced Very High Resolution Radiometer (NOAA-AVHRR) satellite. Solar radiation was calculated using obtained coefficients in regression methods for 2004 year. The results were compared statistically. The most successful method was Gaussian process regression method. The most unsuccessful method was lasso regression method. While means bias error (MBE) value of Gaussian process regression method was 0,274 MJ/m2, root mean square error (RMSE) value of method was calculated as 2,260 MJ/m2. The correlation coefficient of related method was calculated as 0,941. Statistical results are consistent with the literature. Used the Gaussian process regression method is recommended for other studies.

  7. Ab initio Sternheimer-GW method for quasiparticle calculations

    Science.gov (United States)

    Lambert, Henry; Giustino, Feliciano

    2014-03-01

    The GW method has emerged as the standard computational tool for investigating electronic excitations in bulk and nanoscale systems. Recently significant efforts have been devoted to extending the range of applicability of the GW method. With this aim, Ref. introduced the Sternheimer-GW method, reformulating the standard GW approach so that no unoccupied electronic states are required in the calculations. Here we present the implementation of the Sternheimer-GW method using planewaves and norm-conserving pseudopotentials. In our method we calculate the complete position- and energy-dependent GW self-energy operator, and as a by-product we obtain the entire G0W0 quasiparticle spectral function. We have validated our method by calculating the quasiparticle band structures of standard semiconductors and insulators (Si, SiC, diamond, LiCl) and by comparing the results with previous GW calculations. This method is currently being used for investigating the electronic structure of novel materials of reduced dimensionality. This work was supported by the ERC under the EU FP7/ERC Grant No. 239578 and by the UK EPSRC Grant No. EP/J009857/1.

  8. Solar opacity calculations using the super-transition-array method

    CERN Document Server

    Krief, M; Gazit, D

    2016-01-01

    An opacity model based on the Super-Transition-Array (STA) method for the calculation of monochromatic opacities of local thermodynamic equilibrium plasmas was developed. The model is described and used to calculate spectral opacities for a solar model implementing the recent AGSS09 composition. Calculations are carried throughout the solar radiative zone. The relative contributions of different chemical elements and photon-matter processes to the total Rosseland mean opacity are analyzed in detail. Monochromatic opacities and charge state distributions were compared with the widely used Opacity-Project (OP) code, for several elements near the radiation-convection interface. STA Rosseland opacities for the solar mixture show a very good agreement with OP and the OPAL opacity code, throughout the radiation zone. Finally, an explicit STA calculation of the full AGSS09 photospheric mixture, including all heavy metals was performed. It was shown that due to their extremely low abundance, and despite being very go...

  9. Direct method for calculating temperature-dependent transport properties

    Science.gov (United States)

    Liu, Yi; Yuan, Zhe; Wesselink, R. J. H.; Starikov, Anton A.; van Schilfgaarde, Mark; Kelly, Paul J.

    2015-06-01

    We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu, Pd, Pt (and Fe) when lattice (and spin) disorder are calculated from first principles. For Fe, the agreement with experiment is limited by how well the magnetization (of itinerant ferromagnets) can be calculated as a function of temperature. By introducing a simple Debye-like model of spin disorder parameterized to reproduce the experimental magnetization, the temperature dependence of the average resistivity, the anisotropic magnetoresistance, and the spin polarization of a Ni80Fe20 alloy are calculated and found to be in good agreement with existing data. Extension of the method to complex, inhomogeneous materials as well as to the calculation of other finite-temperature physical properties within the adiabatic approximation is straightforward.

  10. A method to calculate displacement factors using SVM

    Institute of Scientific and Technical Information of China (English)

    Li Peixian; Tan Zhixiang; Yan Lili; Deng Kazhong

    2011-01-01

    In order to improve the precision of mining subsidence prediction,a mathematical model using Support Vector Machine (SVM) was established to calculate the displacement factor.The study is based on a comprehensive analysis of factors affecting the displacement factor,such as mechanical properties of the cover rock,the ratio of mining depth to seam thickness,dip angle of the coal seam and the thickness of loose layer.Data of 63 typical observation stations were used as a training and testing sample set.A SVM regression model of the displacement factor and the factors affecting it was established with a kernel function,an insensitive loss factor and a properly selected penalty factor.Given an accurate calculation algorithm for testing and analysis,the results show that an SVM regression model can calculate displacement factor precisely and reliable precision can be obtained which meets engineering requirements.The experimental results show that the method to calculation of the displacement factor,based on the SVM method,is feasible.The many factors affecting the displacement factor can be considered with this method.The research provides an efficient and accurate approach for the calculation of displacement in mining subsidence prediction.

  11. Fast calculation method of complex space targets' optical cross section.

    Science.gov (United States)

    Han, Yi; Sun, Huayan; Li, Yingchun; Guo, Huichao

    2013-06-10

    This paper utilizes the optical cross section (OCS) to characterize the optical scattering characteristics of a space target under the conditions of Sun lighting. We derive the mathematical expression of OCS according to the radiometric theory, and put forward a fast visualization calculation method of complex space targets' OCS based on an OpenGL and 3D model. Through the OCS simulation of Lambert bodies (cylinder and sphere), the computational accuracy and speed of the algorithm were verified. By using this method, the relative error for OCS will not exceed 0.1%, and it only takes 0.05 s to complete a complex calculation. Additionally, we calculated the OCS of three actual satellites with bidirectional reflectance distribution function model parameters in visible bands, and results indicate that it is easy to distinguish the three targets by comparing their OCS curves. This work is helpful for the identification and classification of unresolved space target based on photometric characteristics.

  12. LEGO-Method--New Strategy for Chemistry Calculation

    Science.gov (United States)

    Molnar, Jozsef; Molnar-Hamvas, Livia

    2011-01-01

    The presented strategy of chemistry calculation is based on mole-concept, but it uses only one fundamental relationship of the amounts of substance as a basic panel. The name of LEGO-method comes from the famous toy of LEGO[R] because solving equations by grouping formulas is similar to that. The relations of mole and the molar amounts, as small…

  13. Emergy Algebra: Improving Matrix Methods for Calculating Tranformities

    Science.gov (United States)

    Transformity is one of the core concepts in Energy Systems Theory and it is fundamental to the calculation of emergy. Accurate evaluation of transformities and other emergy per unit values is essential for the broad acceptance, application and further development of emergy method...

  14. Calculating Resonance Positions and Widths Using the Siegert Approximation Method

    Science.gov (United States)

    Rapedius, Kevin

    2011-01-01

    Here, we present complex resonance states (or Siegert states) that describe the tunnelling decay of a trapped quantum particle from an intuitive point of view that naturally leads to the easily applicable Siegert approximation method. This can be used for analytical and numerical calculations of complex resonances of both the linear and nonlinear…

  15. STABILIZER BARS – CALCULATIONS, CONSTRUCTION AND PRODUCTION METHODS

    Directory of Open Access Journals (Sweden)

    Adam Marek WITTEK

    2015-06-01

    Full Text Available The article outlines the calculation and production methods for stabilizer bars. Modern technological and structural solutions in contemporary cars are reflected also in the construction and manufacturing of stabilizer bars. A proper construction and the selection of parameters influence the strength properties, the weight, durability and reliability as well as the selection of an appropriate production method. The selection of the manufacturing process has a fundamental impact on the quality and durability of the stabilizer bars.

  16. Calculating resonance positions and widths using the Siegert approximation method

    CERN Document Server

    Rapedius, Kevin

    2011-01-01

    Here we present complex resonance states (or Siegert states), that describe the tunneling decay of a trapped quantum particle, from an intuitive point of view which naturally leads to the easily applicable Siegert approximation method that can be used for analytical and numerical calculations of complex resonances of both the linear and nonlinear Schr\\"odinger equation. Our approach thus complements other treatments of the subject that mostly focus on methods based on continuation in the complex plane or on semiclassical approximations.

  17. Unstable optical resonator loss calculations using the prony method.

    Science.gov (United States)

    Siegman, A E; Miller, H Y

    1970-12-01

    The eigenvalues for all the significant low-order resonant modes of an unstable optical resonator with circular mirrors are computed using an eigenvalue method called the Prony method. A general equivalence relation is also given, by means of which one can obtain the design parameters for a single-ended unstable resonator of the type usually employed in practical lasers, from the calculated or tabulated values for an equivalent symmetric or double-ended unstable resonator.

  18. Optimization method for quantitative calculation of clay minerals in soil

    Indian Academy of Sciences (India)

    Libo Hao; Qiaoqiao Wei; Yuyan Zhao; Zilong Lu; Xinyun Zhao

    2015-04-01

    Determination of types and amounts for clay minerals in soil are important in environmental, agricultural, and geological investigations. Many reliable methods have been established to identify clay mineral types. However, no reliable method for quantitative analysis of clay minerals has been established so far. In this study, an attempt was made to propose an optimization method for the quantitative determination of clay minerals in soil based on bulk chemical composition data. The fundamental principles and processes of the calculation are elucidated. Some samples were used for reliability verification of the method and the results prove the simplicity and efficacy of the approach.

  19. Theories and calculation methods for regional objective ET (evapotranspiration): Applications

    Institute of Scientific and Technical Information of China (English)

    LIU diaHong; QIN DaYong; WANG MingNa; L(U) JinYan; SANG XueFeng; ZHANG RuiMei

    2009-01-01

    The regional objective ET (evapotranspiration) is defined as the quantity of water that could be con-sumed in a particular region. It varies with the water conditions and economic development stages in the region. It is also constrained by the requirement of benign environment cycle. At the same time, it must meet the demands of sustainable economic growth and the construction of harmony society.Objective ET based water resources distribution will replace the conventional method, which empha-sizes the balance between the water demand and the water supply. It puts focus on the reasonable water consumption instead of the forecasted water demand, which is usually greater than the actual one. In this paper, we calculated the objective ET of 2010 year level in Tianjin by an analysis-integra-tion-assessment method. Objective ET can be classified into two parts: controllable ET and uncontrol-lable ET. Controllable ET includes the ET from irrigation land and the ET from resident land, among which the former can be calculated with soil moisture model and evapotranspiration model, while the latter can be calculated by water use ration and water consumption rate. The uncontrollable ET can be calculated with the distributed hydrological model and the remote sensing monitoring model. The two models can be mutually calibrated. In this paper, eight schemes are put forward based on different portfolios of water resources. The objective ET of each scheme was calculated and the results were assessed and analyzed. Finally, an optimal scheme was recommended.

  20. Comparison of analytical methods for calculation of wind loads

    Science.gov (United States)

    Minderman, Donald J.; Schultz, Larry L.

    1989-01-01

    The following analysis is a comparison of analytical methods for calculation of wind load pressures. The analytical methods specified in ASCE Paper No. 3269, ANSI A58.1-1982, the Standard Building Code, and the Uniform Building Code were analyzed using various hurricane speeds to determine the differences in the calculated results. The winds used for the analysis ranged from 100 mph to 125 mph and applied inland from the shoreline of a large open body of water (i.e., an enormous lake or the ocean) a distance of 1500 feet or ten times the height of the building or structure considered. For a building or structure less than or equal to 250 feet in height acted upon by a wind greater than or equal to 115 mph, it was determined that the method specified in ANSI A58.1-1982 calculates a larger wind load pressure than the other methods. For a building or structure between 250 feet and 500 feet tall acted upon by a wind rangind from 100 mph to 110 mph, there is no clear choice of which method to use; for these cases, factors that must be considered are the steady-state or peak wind velocity, the geographic location, the distance from a large open body of water, and the expected design life and its risk factor.

  1. Accelerating molecular property calculations with nonorthonormal Krylov space methods

    Science.gov (United States)

    Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.; Kwon, Jake

    2016-05-01

    We formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remain small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.

  2. Artificial Boundary Method for Calculating Ship Wave Resistance

    Institute of Scientific and Technical Information of China (English)

    文新; 韩厚德

    2003-01-01

    The calculation of wave resistance for a ship moving at constant speed near a free surface is considered. This wave resistance is calculated with a linearized steady potential model. To deal with the unboundedness of the physical domain in the potential flow problem, we introduce one vertical side as an artificial upstream boundary and two vertical sides as the artificial downstream boundaries. On the artificial boundaries, a sequence of high-order global artificial boundary conditions are given. Then the potential flow problem is reduced to a problem defined on a finite computational domain, which is equivalent to a variational problem. The solution of the variational problem by the finite element method gives the numerical approximation of the potential flow around the ship, which was used to calculate the wave resistance. The numerical examples show the accuracy and efficiency of the proposed numerical scheme.

  3. Calculation of Turbulent Boundary Layers Using the Dissipation Integral Method

    Institute of Scientific and Technical Information of China (English)

    MatthiasBuschmann

    1999-01-01

    This paper gives an introduction into the dissipation integral method.The general integral equations for the three-dimensional case are derved.It is found that for a practical calculation algorithm the integral monentum equation and the integral energy equation are msot useful.Using Two different sets of mean velocity profiles the hyperbolical character of a dissipation integral method is shown.Test cases for two-and three-dimensional boundary layers are analysed and discussed.The paper concludes with a discussion of the advantages and limits of dissipation integral methods.

  4. Methods and computer codes for nuclear systems calculations

    Indian Academy of Sciences (India)

    B P Kochurov; A P Knyazev; A Yu Kwaretzkheli

    2007-02-01

    Some numerical methods for reactor cell, sub-critical systems and 3D models of nuclear reactors are presented. The methods are developed for steady states and space–time calculations. Computer code TRIFON solves space-energy problem in (, ) systems of finite height and calculates heterogeneous few-group matrix parameters of reactor cells. These parameters are used as input data in the computer code SHERHAN solving the 3D heterogeneous reactor equation for steady states and 3D space–time neutron processes simulation. Modification of TRIFON was developed for the simulation of space–time processes in sub-critical systems with external sources. An option of SHERHAN code for the system with external sources is under development.

  5. The application of advanced rotor (performance) methods for design calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bussel, G.J.W. van [Delft Univ. of Technology, Inst. for Wind Energy, Delft (Netherlands)

    1997-08-01

    The calculation of loads and performance of wind turbine rotors has been a topic for research over the last century. The principles for the calculation of loads on rotor blades with a given specific geometry, as well as the development of optimal shaped rotor blades have been published in the decades that significant aircraft development took place. Nowadays advanced computer codes are used for specific problems regarding modern aircraft, and application to wind turbine rotors has also been performed occasionally. The engineers designing rotor blades for wind turbines still use methods based upon global principles developed in the beginning of the century. The question what to expect in terms of the type of methods to be applied in a design environment for the near future is addressed here. (EG) 14 refs.

  6. Testing the QA Method for Calculating Jet v_{2}

    CERN Document Server

    Mueller, Jason

    2014-01-01

    For the summer, I was assigned to work on the ALICE experiment with Alice Ohlson. I wrote several programs throughout the summer that were used to calculate jet v 2 using a non-standard method described by my supervisor in her Ph.D. thesis. Though the project is not yet complete, significant progress has been made, and the results so far seem promising.

  7. A method of calculating the Jost function for analytic potentials

    Energy Technology Data Exchange (ETDEWEB)

    Rakityansky, S.A. [University of South Africa (UNISA), Pretoria (South Africa). Dept. of Physics; Sofianos, S.A. [Joint Inst. for Nuclear Research, Dubna (Russian Federation); Amos, K. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1995-05-10

    A combination of the variable-constant and complex coordinate rotation methods is used to solve the two-body Schroedinger equation. The equation is replaced by a system of linear first-order differential equations, which enables one to perform direct calculation of the Jost function for all complex momenta of physical interest including the spectral points corresponding to bound and resonance states. 16 refs., 2 tabs., 2 figs.

  8. FRACTURE CALCULATION OF BENDING PLATES BY BOUNDARY COLLOCATION METHOD

    Institute of Scientific and Technical Information of China (English)

    王元汉; 伍佑伦; 余飞

    2003-01-01

    Fracture of Kirchhoff plates is analyzed by the theory of complex variables and boundary collocation method. The deflections, moments and shearing forces of the plates are assumed to be the functions of complex variables. The functions can satisfy a series of basic equations and governing conditions, such as the equilibrium equations in the domain, the boundary conditions on the crack surfaces and stress singularity at the crack tips. Thus, it ts only necessary to consider the boundary conditions on the external boundaries of the plate, which can be approximately satisfied by the collocation method and least square technique. Different boundary conditions and loading cases of the cracked plates are analyzed and calculated. Compared to other methods, the numerical examples show that the present method has many advantages such as good accuracy and less computer time This is an effective semi-analytical and semi-numerical method.

  9. Improved transfer matrix methods for calculating quantum transmission coefficient.

    Science.gov (United States)

    Biswas, Debabrata; Kumar, Vishal

    2014-07-01

    Methods for calculating the transmission coefficient are proposed, all of which arise from improved nonreflecting WKB boundary conditions at the edge of the computational domain in one-dimensional geometries. In the first, the Schrödinger equation is solved numerically, while the second is a transfer matrix (TM) algorithm where the potential is approximated by steps, but with the first and last matrix modified to reflect the new boundary condition. Both methods give excellent results with first-order WKB boundary conditions. The third uses the transfer matrix method with third-order WKB boundary conditions. For the parabolic potential, the average error for the modified third-order TM method reduces by factor of 4100 over the unmodified TM method.

  10. Process control and optimization with simple interval calculation method

    DEFF Research Database (Denmark)

    Pomerantsev, A.; Rodionova, O.; Høskuldsson, Agnar

    2006-01-01

    the series of expanding PLS/SIC models in order to support the on-line process improvements. This method helps to predict the effect of planned actions on the product quality and thus enables passive quality control. We have also considered an optimization approach that proposes the correcting actions......Methods of process control and optimization are presented and illustrated with a real world example. The optimization methods are based on the PLS block modeling as well as on the simple interval calculation methods of interval prediction and object status classification. It is proposed to employ...... for the quality improvement in the course of production. The latter is an active quality optimization, which takes into account the actual history of the process. The advocate approach is allied to the conventional method of multivariate statistical process control (MSPC) as it also employs the historical process...

  11. Fast Stiffness Matrix Calculation for Nonlinear Finite Element Method

    Directory of Open Access Journals (Sweden)

    Emir Gülümser

    2014-01-01

    Full Text Available We propose a fast stiffness matrix calculation technique for nonlinear finite element method (FEM. Nonlinear stiffness matrices are constructed using Green-Lagrange strains, which are derived from infinitesimal strains by adding the nonlinear terms discarded from small deformations. We implemented a linear and a nonlinear finite element method with the same material properties to examine the differences between them. We verified our nonlinear formulation with different applications and achieved considerable speedups in solving the system of equations using our nonlinear FEM compared to a state-of-the-art nonlinear FEM.

  12. 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.

  13. SOLAR OPACITY CALCULATIONS USING THE SUPER-TRANSITION-ARRAY METHOD

    Energy Technology Data Exchange (ETDEWEB)

    Krief, M.; Feigel, A.; Gazit, D., E-mail: menahem.krief@mail.huji.ac.il [The Racah Institute of Physics, The Hebrew University, 91904 Jerusalem (Israel)

    2016-04-10

    A new opacity model has been developed based on the Super-Transition-Array (STA) method for the calculation of monochromatic opacities of plasmas in local thermodynamic equilibrium. The atomic code, named STAR (STA-Revised), is described and used to calculate spectral opacities for a solar model implementing the recent AGSS09 composition. Calculations are carried out throughout the solar radiative zone. The relative contributions of different chemical elements and atomic processes to the total Rosseland mean opacity are analyzed in detail. Monochromatic opacities and charge-state distributions are compared with the widely used Opacity Project (OP) code, for several elements near the radiation–convection interface. STAR Rosseland opacities for the solar mixture show a very good agreement with OP and the OPAL opacity code throughout the radiation zone. Finally, an explicit STA calculation was performed of the full AGSS09 photospheric mixture, including all heavy metals. It was shown that, due to their extremely low abundance, and despite being very good photon absorbers, the heavy elements do not affect the Rosseland opacity.

  14. Solar Opacity Calculations Using the Super-transition-array Method

    Science.gov (United States)

    Krief, M.; Feigel, A.; Gazit, D.

    2016-04-01

    A new opacity model has been developed based on the Super-Transition-Array (STA) method for the calculation of monochromatic opacities of plasmas in local thermodynamic equilibrium. The atomic code, named STAR (STA-Revised), is described and used to calculate spectral opacities for a solar model implementing the recent AGSS09 composition. Calculations are carried out throughout the solar radiative zone. The relative contributions of different chemical elements and atomic processes to the total Rosseland mean opacity are analyzed in detail. Monochromatic opacities and charge-state distributions are compared with the widely used Opacity Project (OP) code, for several elements near the radiation-convection interface. STAR Rosseland opacities for the solar mixture show a very good agreement with OP and the OPAL opacity code throughout the radiation zone. Finally, an explicit STA calculation was performed of the full AGSS09 photospheric mixture, including all heavy metals. It was shown that, due to their extremely low abundance, and despite being very good photon absorbers, the heavy elements do not affect the Rosseland opacity.

  15. Simplified hourly method to calculate summer temperatures in dwellings

    DEFF Research Database (Denmark)

    Mortensen, Lone Hedegaard; Aggerholm, Søren

    2012-01-01

    The objective of this study was to develop a method for hourly calculation of the operating temperature in order to evaluate summer comfort in dwellings to help improve building design. A simplified method was developed on the basis of the simple hourly method of the standard ISO 13790...... program for thermal simulations of buildings. The results are based on one year simulations of two cases. The cases were based on a low energy dwelling of 196 m². The transmission loss for the building envelope was 3.3 W/m², not including windows and doors. The dwelling was tested in two cases, a case...... for the fulfilment of summer comfort. Thus it is very important to address both opening areas and ventilation rates. The developed simplified method makes it possible to test whether or not a building design for a dwelling will prevent excess of the summer comfort limits set by the building regulations....

  16. Comparison between ASHRAE and ISO thermal transmittance calculation methods

    DEFF Research Database (Denmark)

    Blanusa, Petar; Goss, William P.; Roth, Hartwig

    2007-01-01

    the Heat Transfer and Total Optical Properties of Fenestration Products, Public Review Draft of Standard 142P, American Society of Heating, Refrigerating and Air Conditioning Engineers, Atlanta, 1998]) and in Europe [ISO 10077-2. Thermal Performance of Windows, Doors and Shutters-Calculation of Thermal...... Transmittance-Part 2: Numerical Method for Frames, International Standards Organization, Geneva, 2003]. The two approaches, called the ASHRAE and ISO methods, are different in the way they treat the effect of the glazing spacer on the heat transfer through the frame and the glazing unit near the frame....... The ASHRAE method assumes that the spacer effects both the heat transfer through the frame and the heat transfer through the glazing in an "edge-of glass" region 63.5mm (2.5in.) from the glazing/frame sight line. The ISO method assumes that the additional heat transfer due to the existence of the spacer...

  17. MERSENNE AND HADAMARD MATRICES CALCULATION BY SCARPIS METHOD

    Directory of Open Access Journals (Sweden)

    N. A. Balonin

    2014-05-01

    Full Text Available Purpose. The paper deals with the problem of basic generalizations of Hadamard matrices associated with maximum determinant matrices or not optimal by determinant matrices with orthogonal columns (weighing matrices, Mersenne and Euler matrices, ets.; calculation methods for the quasi-orthogonal local maximum determinant Mersenne matrices are not studied enough sufficiently. The goal of this paper is to develop the theory of Mersenne and Hadamard matrices on the base of generalized Scarpis method research. Methods. Extreme solutions are found in general by minimization of maximum for absolute values of the elements of studied matrices followed by their subsequent classification according to the quantity of levels and their values depending on orders. Less universal but more effective methods are based on structural invariants of quasi-orthogonal matrices (Silvester, Paley, Scarpis methods, ets.. Results. Generalizations of Hadamard and Belevitch matrices as a family of quasi-orthogonal matrices of odd orders are observed; they include, in particular, two-level Mersenne matrices. Definitions of section and layer on the set of generalized matrices are proposed. Calculation algorithms for matrices of adjacent layers and sections by matrices of lower orders are described. Approximation examples of the Belevitch matrix structures up to 22-nd critical order by Mersenne matrix of the third order are given. New formulation of the modified Scarpis method to approximate Hadamard matrices of high orders by lower order Mersenne matrices is proposed. Williamson method is described by example of one modular level matrices approximation by matrices with a small number of levels. Practical relevance. The efficiency of developing direction for the band-pass filters creation is justified. Algorithms for Mersenne matrices design by Scarpis method are used in developing software of the research program complex. Mersenne filters are based on the suboptimal by

  18. Auxiliary Density Matrix Methods for Hartree-Fock Exchange Calculations.

    Science.gov (United States)

    Guidon, Manuel; Hutter, Jürg; VandeVondele, Joost

    2010-08-10

    The calculation of Hartree-Fock exchange (HFX) is computationally demanding for large systems described with high-quality basis sets. In this work, we show that excellent performance and good accuracy can nevertheless be obtained if an auxiliary density matrix is employed for the HFX calculation. Several schemes to derive an auxiliary density matrix from a high-quality density matrix are discussed. Key to the accuracy of the auxiliary density matrix methods (ADMM) is the use of a correction based on standard generalized gradient approximations for HFX. ADMM integrates seamlessly in existing HFX codes and, in particular, can be employed in linear scaling implementations. Demonstrating the performance of the method, the effect of HFX on the structure of liquid water is investigated in detail using Born-Oppenheimer molecular dynamics simulations (300 ps) of a system of 64 molecules. Representative for large systems are calculations on a solvated protein (Rubredoxin), for which ADMM outperforms the corresponding standard HFX implementation by approximately a factor 20.

  19. A Novel TRM Calculation Method by Probabilistic Concept

    Science.gov (United States)

    Audomvongseree, Kulyos; Yokoyama, Akihiko; Verma, Suresh Chand; Nakachi, Yoshiki

    In a new competitive environment, it becomes possible for the third party to access a transmission facility. From this structure, to efficiently manage the utilization of the transmission network, a new definition about Available Transfer Capability (ATC) has been proposed. According to the North American ElectricReliability Council (NERC)’s definition, ATC depends on several parameters, i. e. Total Transfer Capability (TTC), Transmission Reliability Margin (TRM), and Capacity Benefit Margin (CBM). This paper is focused on the calculation of TRM which is one of the security margin reserved for any uncertainty of system conditions. The TRM calculation by probabilistic method is proposed in this paper. Based on the modeling of load forecast error and error in transmission line limitation, various cases of transmission transfer capability and its related probabilistic nature can be calculated. By consideration of the proposed concept of risk analysis, the appropriate required amount of TRM can be obtained. The objective of this research is to provide realistic information on the actual ability of the network which may be an alternative choice for system operators to make an appropriate decision in the competitive market. The advantages of the proposed method are illustrated by application to the IEEJ-WEST10 model system.

  20. The new performance calculation method of fouled axial flow compressor.

    Science.gov (United States)

    Yang, Huadong; Xu, Hong

    2014-01-01

    Fouling is the most important performance degradation factor, so it is necessary to accurately predict the effect of fouling on engine performance. In the previous research, it is very difficult to accurately model the fouled axial flow compressor. This paper develops a new performance calculation method of fouled multistage axial flow compressor based on experiment result and operating data. For multistage compressor, the whole compressor is decomposed into two sections. The first section includes the first 50% stages which reflect the fouling level, and the second section includes the last 50% stages which are viewed as the clean stage because of less deposits. In this model, the performance of the first section is obtained by combining scaling law method and linear progression model with traditional stage stacking method; simultaneously ambient conditions and engine configurations are considered. On the other hand, the performance of the second section is calculated by averaged infinitesimal stage method which is based on Reynolds' law of similarity. Finally, the model is successfully applied to predict the 8-stage axial flow compressor and 16-stage LM2500-30 compressor. The change of thermodynamic parameters such as pressure ratio, efficiency with the operating time, and stage number is analyzed in detail.

  1. The New Performance Calculation Method of Fouled Axial Flow Compressor

    Directory of Open Access Journals (Sweden)

    Huadong Yang

    2014-01-01

    Full Text Available Fouling is the most important performance degradation factor, so it is necessary to accurately predict the effect of fouling on engine performance. In the previous research, it is very difficult to accurately model the fouled axial flow compressor. This paper develops a new performance calculation method of fouled multistage axial flow compressor based on experiment result and operating data. For multistage compressor, the whole compressor is decomposed into two sections. The first section includes the first 50% stages which reflect the fouling level, and the second section includes the last 50% stages which are viewed as the clean stage because of less deposits. In this model, the performance of the first section is obtained by combining scaling law method and linear progression model with traditional stage stacking method; simultaneously ambient conditions and engine configurations are considered. On the other hand, the performance of the second section is calculated by averaged infinitesimal stage method which is based on Reynolds’ law of similarity. Finally, the model is successfully applied to predict the 8-stage axial flow compressor and 16-stage LM2500-30 compressor. The change of thermodynamic parameters such as pressure ratio, efficiency with the operating time, and stage number is analyzed in detail.

  2. Calculation of VPP basing on functional analyzing method

    Institute of Scientific and Technical Information of China (English)

    Bai Kaixiang; Wang Dexun; Han Jiurui

    2007-01-01

    The establishment and realization of the VPP calucation's model for the functional analytic theory are discussed in this paper. Functional analyzing method is a theoretical model of the VPP calculation which can eliminate the influence of the sail and board's size skillfully, so it can be regarded as a brief standard of the sailboard's VPP results. As a brief watery dynamical model, resistance on board can be regarded as a direct proportion to the square of the boat-velocity. The boat-velocities at the state of six wind-velocities (3 m/s-8 m/s) with angles of 25°-180° are obtained by calculating, which provides an important gist of the sailing-route's selection in upwind-sailing.

  3. Decoherence of Entangled States Calculated by a Systematic Approximate Method

    Institute of Scientific and Technical Information of China (English)

    LIU Tao; FAN Yun-Xia; HUANG Shu-Weng; WANG Ke-Lin; WANG Yi

    2007-01-01

    In this paper the coherent-state approximation (CA) method is used to deal with the problem of the decoherence of the entangled states of two two-state systems. As the base of the discussion, the dissipation of one two-state system has been investigated at first. The improved results calculated by CA are given in the paper. It is shown that the right approaching behavior and scaling law have been obtained when CA is applied to the problem of dissipation of two two-state systems coupled with environment. The whole evolution process and calculated results of the decoherence of the entangled states show also the scaling law, right approaching behavior, and rich phenomenon.

  4. Computational method for general multicenter electronic structure calculations.

    Science.gov (United States)

    Batcho, P F

    2000-06-01

    Here a three-dimensional fully numerical (i.e., chemical basis-set free) method [P. F. Batcho, Phys. Rev. A 57, 6 (1998)], is formulated and applied to the calculation of the electronic structure of general multicenter Hamiltonian systems. The numerical method is presented and applied to the solution of Schrödinger-type operators, where a given number of nuclei point singularities is present in the potential field. The numerical method combines the rapid "exponential" convergence rates of modern spectral methods with the multiresolution flexibility of finite element methods, and can be viewed as an extension of the spectral element method. The approximation of cusps in the wave function and the formulation of multicenter nuclei singularities are efficiently dealt with by the combination of a coordinate transformation and a piecewise variational spectral approximation. The complete system can be efficiently inverted by established iterative methods for elliptical partial differential equations; an application of the method is presented for atomic, diatomic, and triatomic systems, and comparisons are made to the literature when possible. In particular, local density approximations are studied within the context of Kohn-Sham density functional theory, and are presented for selected subsets of atomic and diatomic molecules as well as the ozone molecule.

  5. An integral nodal variational method for multigroup criticality calculations

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, E.E. [Northwestern Univ., Evanston, IL (United States). Dept. of Mechanical Engineering]. E-mail: e-lewis@northwestern.edu; Smith, M.A.; Palmiotti, G. [Argonne National Lab., IL (United States)]. E-mail: masmith@ra.anl.gov; gpalmiotti@ra.anl.gov; Tsoulfanidis, N. [Missouri Univ., Rolla, MO (United States). Dept. of Nuclear Engineering]. E-mail: tsoul@umr.edu

    2003-07-01

    An integral formulation of the variational nodal method is presented and applied to a series of benchmark critically problems. The method combines an integral transport treatment of the even-parity flux within the spatial node with an odd-parity spherical harmonics expansion of the Lagrange multipliers at the node interfaces. The response matrices that result from this formulation are compatible with those in the VARIANT code at Argonne National Laboratory. Either homogeneous or heterogeneous nodes may be employed. In general, for calculations requiring higher-order angular approximations, the integral method yields solutions with comparable accuracy while requiring substantially less CPU time and memory than the standard spherical harmonics expansion using the same spatial approximations. (author)

  6. On the Methods for Calculating Annual Allowable Cut

    Directory of Open Access Journals (Sweden)

    V. А. Sokolov

    2014-10-01

    Full Text Available Crisis in supplying regions and the country related to available forest resources and low profitability of forest sector, as a whole, is an indicator of failure of the existing model of forest management and forest use organization in Russia at the present time. Many Russian regions, which are traditionally considered as forest industrial territories, face the challenge of lack of economically accessible forests. The forests are decreasing against a background of under exploitation of the annual allowable cut. This situation occurs in Siberia as well. In many cases, using calculated allowable cut will result in unsustainable harvest levels and a future decrease of accessible forest resources. Thus, the statement that «a volume of wood resource utilization is determined by allowable cut represented the scientifically grounded norm of sustainable forest use» is considered as no more than the declarative proposition. Modeling the normal forest, and using a formula of allowable cut calculation estimated for some decades based on the modeling, is totally unreliable and unreal. The long-term forecast should use analog methods, but it will hardly be sufficiently accurate and adequate to set norms. In order to estimate ecological and economic accessibility of forest resources, an algorithm was made, and a method and model were developed. This model is based on GIS-database and makes it possible to estimate accessibility of forest resources and to map it as well. The conclusion on necessity to determine annual allowable cut in two varieties was drawn following the procedures for calculating annual allowable cut. The first variety is silvicultural (according the currently used methods and the other one is economically accessible allowable cut, which could provide economic effective use of tradable mature wood, taking in to account ecological and economic accessibility of forest resources.

  7. A density gradient theory based method for surface tension calculations

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    The density gradient theory has been becoming a widely used framework for calculating surface tension, within which the same equation of state is used for the interface and bulk phases, because it is a theoretically sound, consistent and computationally affordable approach. Based on the observation...... systems, from non-polar binary mixtures to complex multicomponent associating fluids, combined with the Peng-Robinson and the Cubic Plus Association equations of state. From an overall point of view, the approximation method with the density path profile passing the saddle point and the full density...

  8. Score Calculation in Informatics Contests Using Multiple Criteria Decision Methods

    Directory of Open Access Journals (Sweden)

    Jurate SKUPIENE

    2011-04-01

    Full Text Available The Lithuanian Informatics Olympiad is a problem solving contest for high school students. The work of each contestant is evaluated in terms of several criteria, where each criterion is measured according to its own scale (but the same scale for each contestant. Several jury members are involved in the evaluation. This paper analyses the problem how to calculate the aggregated score for whole submission in the above mentioned situation. The chosen methodology for solving this problem is Multiple Criteria Decision Analysis (MCDA. The outcome of this paper is the score aggregation method proposed to be applied in LitIO developed using MCDA approaches.

  9. A new method for calculation of an air quality index

    Energy Technology Data Exchange (ETDEWEB)

    Ilvessalo, P. [Finnish Meteorological Inst., Helsinki (Finland). Air Quality Dept.

    1995-12-31

    Air quality measurement programs in Finnish towns have expanded during the last few years. As a result of this it is more and more difficult to make use of all the measured concentration data. Citizens of Finnish towns are nowadays taking more of an interest in the air quality of their surroundings. The need to describe air quality in a simplified form has increased. Air quality indices permit the presentation of air quality data in such a way that prevailing conditions are more easily understandable than when using concentration data as such. Using an air quality index always means that some of the information about concentrations of contaminants in the air will be lost. How much information is possible to extract from a single index number depends on the calculation method. A new method for the calculation of an air quality index has been developed. This index always indicates the overstepping of an air quality guideline level. The calculation of this air quality index is performed using the concentrations of all the contaminants measured. The index gives information both about the prevailing air quality and also the short-term trend. It can also warn about the expected exceeding of guidelines due to one or several contaminants. The new index is especially suitable for the real-time monitoring and notification of air quality values. The behaviour of the index was studied using material from a measurement period in the spring of 1994 in Kaepylae, Helsinki. Material from a pre-operational period in the town of Oulu was also available. (author)

  10. The calculation method of mixing volume in a products pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Jing; Wang, Qim [China University of Petroleum, Beijing, (China); Wang, Weidongn [Sinopec South China Sales Company, (China); Guo, Yi [CNPC Oil and Gas pipeline control center, (China)

    2010-07-01

    This paper investigated calculation methods of mixing volume on a pipeline. A method of simulation was developed by combining the Austin-Palfrey empirical formula and field data. The field data were introduced to improve the accuracy of the Austin-Palfrey formula by including other factors such as the terrain, the structure of the pipeline, the characteristics of mixed oil products in pumping stations and the distribution of products along the pipeline. These other factors were collected from field data and analyzed statistically to deduce coefficients. The comparison with field results showed that the formula developed for contamination provided accurate values. The formula achieved more accurate results using the characteristics of the field pipeline. This formula could be used for field application.

  11. Method for calculating annual energy efficiency improvement of TV sets

    Energy Technology Data Exchange (ETDEWEB)

    Varman, M. [Department of Mechanical Engineering, University of Malaya, Lembah Pantai, 50603 Kuala Lumpur (Malaysia); Mahlia, T.M.I. [Department of Mechanical Engineering, University of Malaya, Lembah Pantai, 50603 Kuala Lumpur (Malaysia)]. E-mail: indra@um.edu.my; Masjuki, H.H. [Department of Mechanical Engineering, University of Malaya, Lembah Pantai, 50603 Kuala Lumpur (Malaysia)

    2006-10-15

    The popularization of 24 h pay-TV, interactive video games, web-TV, VCD and DVD are poised to have a large impact on overall TV electricity consumption in the Malaysia. Following this increased consumption, energy efficiency standard present a highly effective measure for decreasing electricity consumption in the residential sector. The main problem in setting energy efficiency standard is identifying annual efficiency improvement, due to the lack of time series statistical data available in developing countries. This study attempts to present a method of calculating annual energy efficiency improvement for TV set, which can be used for implementing energy efficiency standard for TV sets in Malaysia and other developing countries. Although the presented result is only an approximation, definitely it is one of the ways of accomplishing energy standard. Furthermore, the method can be used for other appliances without any major modification.

  12. New Transcorrelated Method Improving the Feasibility of Explicitly Correlated Calculations

    Directory of Open Access Journals (Sweden)

    Osamu Hino

    2002-05-01

    Full Text Available Abstract: We recently developed an explicitly correlated method using the transcorrelated Hamiltonian, which is preliminarily parameterized in such a way that the Coulomb repulsion is compensated at short inter-electronic distances. The extra part of the effective Hamiltonian features short-ranged, size-consistent, and state-universal. The localized and frozen nature of the correlation factor makes the enormous three-body interaction less important and enables us to bypass the complex nonlinear optimization. We review the basic strategy of the method mainly focusing on the applications to single-reference many electron theories using modified Møller-Plesset partitioning and biorthogonal orbitals. Benchmark calculations are performed for 10-electron systems with a series of basis sets.

  13. An accurate {delta}f method for neoclassical transport calculation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, W.X.; Nakajima, N.; Murakami, S.; Okamoto, M. [National Inst. for Fusion Science, Toki, Gifu (Japan)

    1999-03-01

    A {delta}f method, solving drift kinetic equation, for neoclassical transport calculation is presented in detail. It is demonstrated that valid results essentially rely on the correct evaluation of marker density g in weight calculation. A general and accurate weighting scheme is developed without using some assumed g in weight equation for advancing particle weights, unlike the previous schemes. This scheme employs an additional weight function to directly solve g from its kinetic equation using the idea of {delta}f method. Therefore the severe constraint that the real marker distribution must be consistent with the initially assumed g during a simulation is relaxed. An improved like-particle collision scheme is presented. By performing compensation for momentum, energy and particle losses arising from numerical errors, the conservations of all the three quantities are greatly improved during collisions. Ion neoclassical transport due to self-collisions is examined under finite banana case as well as zero banana limit. A solution with zero particle and zero energy flux (in case of no temperature gradient) over whole poloidal section is obtained. With the improvement in both like-particle collision scheme and weighting scheme, the {delta}f simulation shows a significantly upgraded performance for neoclassical transport study. (author)

  14. The PC index: method of calculation and physical sense

    Science.gov (United States)

    Janzhura, A.; Troshichev, O.

    2012-04-01

    The PC index has been introduced [Troshichev and Andrezen, 1985; Troshichev et al., 1988] to characterize magnetic activity in the polar caps generated by the solar wind coupling with the magnetosphere. The concept of the antisunward convection within the polar cap, controlled by the interplanetary electric field EKL determined by Kan and Lee (1979), served as a basis for the method of the index calculation. Value of disturbances in the polar cap geomagnetic H and D (or X and Y) components form the basis for derivation of the PC index. The technique of PC index derivation consists of two separate procedures: (1) derivation of the statistically justified regression coefficients determining relationship between the coupling function EKL and vector of polar cap magnetic disturbance δF, and (2) calculation of PC indices by data on current δF values with use of the regression coefficients established in course of the first procedure. To exclude from examination the geomagnetic field changes unrelated to the solar wind variations the value of geomagnetic disturbance is calculated in reference to the quiet daily variation. The regression coefficients α (slope) and β (intersection) describing a linear link between values δF and EKL are calculated in combination with the optimal angle φ providing the highest correlation between δF and EKL. Parameters α, β and φ are derived based on the statistically justified sets of data. As a result the PC index corresponding to the value of coupling function EKL, irrespective of UT time, season and point of observation is determined. Validation of the PC proper derivation has been testified by the following requirements imposed on the calculated PCN and PCS indices: PCN and PCS indices should be consistent with the interplanetary electric field EKL; PCN and PCS indices should be in close agreement with each other irrespective of season and UT time; indices should not demonstrate seasonal variation; indices should not

  15. METHOD FOR CALCULATION OF STRESSED STATE SUBSTANTIATED BY DYNAMIC MICROTWIN

    Directory of Open Access Journals (Sweden)

    V. V. Vlashevich

    2014-01-01

    Full Text Available Method for calculation of the stressed state in a dynamic twin has been developed on the basis of a non-thin non-coherent micro-twin model with continuous distribution of twinning dislocations at twin boundaries. In this case there is no additional generation with the help of twinning dislocation source. The model takes into account that the twin has coherent and noncoherent boundary sections. The developed model has made it possible to take into consideration a form of non-coherent sections of twinning boundaries in calculations of stressed and deformed state at dynamic twins. It has been established that localized stresses are migrating together with non-coherent sections of the twin. Normal stresses σxx change their sign in relation to direction of the twin development. Shear stresses σxy are alternating in signs in relation to an axis which is perpendicular to the direction of the twin development and which is passing through a mid-point of non-coherent twin section. Distribution of stresses σyy и σyz has similar configuration. Stresses σzx in the second and fourth quarters of XOY plane are negative and the stresses in the first and third quarters are positive. Distribution of stresses σzz practically does not differ from distribution of stresses σyy according to configuration but numerical values of stress tensor component data are different.The results have been obtained without thin twin model that permits to consider only elastic stage of the twinning process. The executed stress calculations at dynamic twin are important for forecasting at the accumulation stage of damage origination which is caused by twinning destruction and permit to improve forecasting accuracy of technical system resources on the basis of twinning materials such as alloys based on iron, copper, zinc, aluminium, titanium.

  16. Gradient type optimization methods for electronic structure calculations

    CERN Document Server

    Zhang, Xin; Wen, Zaiwen; Zhou, Aihui

    2013-01-01

    The density functional theory (DFT) in electronic structure calculations can be formulated as either a nonlinear eigenvalue or direct minimization problem. The most widely used approach for solving the former is the so-called self-consistent field (SCF) iteration. A common observation is that the convergence of SCF is not clear theoretically while approaches with convergence guarantee for solving the latter are often not competitive to SCF numerically. In this paper, we study gradient type methods for solving the direct minimization problem by constructing new iterations along the gradient on the Stiefel manifold. Global convergence (i.e., convergence to a stationary point from any initial solution) as well as local convergence rate follows from the standard theory for optimization on manifold directly. A major computational advantage is that the computation of linear eigenvalue problems is no longer needed. The main costs of our approaches arise from the assembling of the total energy functional and its grad...

  17. NEW METHOD FOR CALCULATION OF STATISTIC MISTAKE IN MARKETING INVESTIGATIONS

    Directory of Open Access Journals (Sweden)

    V. A. Koldachiov

    2008-01-01

    Full Text Available An idea of a new method  is that while breaking-down analysis sample in some sub-samples there is a probability that an actual value for general body will be inside the interval between the highest and lowest average meaning of sub-sample is much higher of the probability that the given value will be  beyond the limits of the indicated interval. In this case a size of the interval appears to be less than analogous parameter while making calculation with the help of the Stewdent formula.Thus, it is possible to reach high accuracy in results of marketing investigations while preserving analysis sample size or reducing the necessary size of analysis sample while preserving level of statistical mistake.

  18. Simulation of FEL pulse length calculation with THz streaking method

    Energy Technology Data Exchange (ETDEWEB)

    Gorgisyan, I., E-mail: ishkhan.gorgisyan@psi.ch [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); École Polytechnique Fédérale de Lausanne, Route Cantonale, 1015 Lausanne (Switzerland); Ischebeck, R.; Prat, E.; Reiche, S. [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Rivkin, L. [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); École Polytechnique Fédérale de Lausanne, Route Cantonale, 1015 Lausanne (Switzerland); Juranić, P., E-mail: ishkhan.gorgisyan@psi.ch [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland)

    2016-04-02

    Simulation of THz streaking of photoelectrons created by X-ray pulses from a free-electron laser and reconstruction of the free-electron laser pulse lengths. Having accurate and comprehensive photon diagnostics for the X-ray pulses delivered by free-electron laser (FEL) facilities is of utmost importance. Along with various parameters of the photon beam (such as photon energy, beam intensity, etc.), the pulse length measurements are particularly useful both for the machine operators to measure the beam parameters and monitor the stability of the machine performance, and for the users carrying out pump–probe experiments at such facilities to better understand their measurement results. One of the most promising pulse length measurement techniques used for photon diagnostics is the THz streak camera which is capable of simultaneously measuring the lengths of the photon pulses and their arrival times with respect to the pump laser. This work presents simulations of a THz streak camera performance. The simulation procedure utilizes FEL pulses with two different photon energies in hard and soft X-ray regions, respectively. It recreates the energy spectra of the photoelectrons produced by the photon pulses and streaks them by a single-cycle THz pulse. Following the pulse-retrieval procedure of the THz streak camera, the lengths were calculated from the streaked spectra. To validate the pulse length calculation procedure, the precision and the accuracy of the method were estimated for streaking configuration corresponding to previously performed experiments. The obtained results show that for the discussed setup the method is capable of measuring FEL pulses with about a femtosecond accuracy and precision.

  19. Effective method for calculation of the analytic QCD coupling constant

    CERN Document Server

    Alekseev, A Yu

    2002-01-01

    The analytic running coupling of strong interaction alpha sub a sub n for initial standard perturbative approximations up to three-loop order is studied. The nonperturbative contributions to alpha sub a sub n are obtained in an explicit form. They are shown to be represented in the form of the expansion in the inverse powers of Euclidean momentum squared. It is shown that two-loop and three-loop-order corrections result in partial compensation of one-loop-order leading in the ultraviolet region nonperturbative contribution of the form 1/q sup 2. On basis of the stated expansion the effective method for calculation of the analytic running coupling is developed for all q > LAMBDA. The comparative analysis of the perturbative and nonperturbative contributions is carried out in the momentum dependence of alpha sub a sub n and its perturbative component for one - three-loop cases leads to a conclusion on higher loop stability of the analytic running coupling and its low dependence on the n sub f -threshold matchin...

  20. CALCULATION OF MILL RIGIDITY BY THREE DIMENSION CONTACT BOUNDARY ELEMENT METHOD

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Vertical rigidity of the space self-adaptive 530 high rigidity mill is calculated by applying the boundary element method (BEM) of three-dimension elastic contact problem,which can update the existed deforming separation calculating theory and corresponding methods of material mechanics,elastic mechanics and finite element method.The method has less hypotheses and stronger synthesis in contact-type calculating model.The advantages of the method are high calculating rate,high calculating accuracy,etc..

  1. Calculation of Industrial Enterprise Ventilation System by Network Integral Method

    Directory of Open Access Journals (Sweden)

    Mihienkova Evgeniya I.

    2016-01-01

    Full Text Available This paper describe a ventilation system calculation of the technology building industrial enterprise. On the basis of the calculation model for the enterprise offered technical decision of ventilation systems, subject to a compliance exchange multiplicity, purification efficiency, decontamination from the work area; provided the required volume of gas extraction from process equipment according to the sanitary standards and environmental requirements. Produced selection of ventilation equipment parameters, solved the problem of the air exchange balancing between ventilation systems to prevent the emergence of parasitic flows between the rooms building. SigmaNet software package was used for the implement the calculation.

  2. Measurement and Calculation Methods of a Stem Image Information

    Institute of Scientific and Technical Information of China (English)

    Yang Hua; Meng Xianyu; Liu Yan; Cheng Jun

    2006-01-01

    The paper shows a study on 2-D stem image information collected by a digital camera.Information on a single stem is obtained through calculations after the application of the direct linear transformation model of close-range photogrammetry and binocular stereo vision technology,so that the calculating problem between stem image information and its 2-D coordinate can be solved.Furthermore,the 2-D processing methodology for measuring tree image information simplifies calculating equations and increases calculating speed.Although computer stereo vision techniques for collecting parameters of a single stem shape are comparative,complicated,and expensive,research indicates the efficiently and feasibility of closerange photogrammetry for stem image information.

  3. A mathematical method to calculate efficiency of BF3 detectors

    Institute of Scientific and Technical Information of China (English)

    SI Fenni; HU Qingyuan; PENG Taiping

    2009-01-01

    In order to calculate absolute efficiency of the BF3 detector, MCNP/4C code is applied to calculate rela-tive efficiency of the BF3 detector first, and then absolute efficiency is figured out through mathematical techniques. Finally an energy response curve of the BF3 detector for 1~20 MeV neutrons is derived. It turns out that efficiency of BF3 detector are relatively uniform for 2~16 MeV neutrons.

  4. Calculation of VPP basing on functional analyzing method

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    VPP can be used to deter mine the maxi mumvelocities of a sailboard at various sailing-routes,byestablishing the forces and moments balance-equa-tions on the sail and board in accordance with theprinciple of the maxi mal drive-force.Selectingroute is the most i mportant issue in upwind-sailing,and VPP calculations could provide the basis for de-ter mining the opti mal routes.VPP calculation of the sailboard perfor mance isa complex and difficult research task,and there arefew projects in this research-field...

  5. Improving the calculation of magnetic coupling constants in MRPT methods.

    Science.gov (United States)

    Spivak, Mariano; Angeli, Celestino; Calzado, Carmen J; de Graaf, Coen

    2014-09-05

    The magnetic coupling in transition metal compounds with more than one unpaired electron per magnetic center has been studied with multiconfigurational perturbation theory. The usual shortcomings of these methodologies (severe underestimation of the magnetic coupling) have been overcome by describing the Slater determinants with a set of molecular orbitals that maximally resemble the natural orbitals of a high-level multiconfigurational reference configuration interaction calculation. These orbitals have significant delocalization tails onto the bridging ligands and largely increase the coupling strengths in the perturbative calculation.

  6. Experiences with leak rate calculations methods for LBB application

    Energy Technology Data Exchange (ETDEWEB)

    Grebner, H.; Kastner, W.; Hoefler, A.; Maussner, G. [and others

    1997-04-01

    In this paper, three leak rate computer programs for the application of leak before break analysis are described and compared. The programs are compared to each other and to results of an HDR Reactor experiment and two real crack cases. The programs analyzed are PIPELEAK, FLORA, and PICEP. Generally, the different leak rate models are in agreement. To obtain reasonable agreement between measured and calculated leak rates, it was necessary to also use data from detailed crack investigations.

  7. Synthesis of the public opinion on the calculation methods of avoided costs; Synthese de la consultation publique sur les methodes de calcul des couts evites

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-05-01

    The CRE began the 22 october 2001 a public opinion on the avoided costs calculation methods, to determine the charges amount of the electric utilities. The main questions dealt with the general position of the actors towards the two calculation methods proposed by the CRE; the modalities of these methods implementing; the alternative and possible methods; the case of the non national distributors. The answers are detailed and analyzed. (A.L.B.)

  8. 7 CFR 51.308 - Methods of sampling and calculation of percentages.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 2 2010-01-01 2010-01-01 false Methods of sampling and calculation of percentages. 51..., 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...

  9. Odd-Even Nucleus Calculation Using exp(S) Method.

    Science.gov (United States)

    Mihaila, Bogdan; Heisenberg, Jochen

    1997-04-01

    We apply the equation of motion technique to calculate the ground state and excited states of the nucleus ^15N. First, we define a complete basis for ^15N relative to the reference ^16O ground state, | A >. Then, the eigenstate | (A-1)j > with energy Ej are given as a linear superposition of these basis configurations. Assuming that this state is an eigenstate of the many-body Hamiltonian, we solve an eigenvalue problem for the energies and wave functions describing the excited states of the ^15N nucleus.

  10. The universal plane method for calculating the dimensions of heliostats

    Science.gov (United States)

    Perres, L. B.; Baum, I. V.

    It is pointed out that heliostat dimensions are crucial in ensuring that sunlight is properly reflected during the day in solar furnaces and solar power stations. In determining these dimensions, allowance must be made for changes in the sun's position during the day, changes which depend on the latitude of the installation. To construct unique algorithms for calculating the dimensions, a procedure involving general concepts must be formulated and this formulation introduces a universal frame of reference. An example of this which has attracted considerable interest involves a flat round receiver that is parallel either to the horizontal plane or to the universal plane considered here.

  11. Universal plane method for calculating the dimensions of heliostats

    Energy Technology Data Exchange (ETDEWEB)

    Perres, L.B.; Baum, I.V.

    1981-01-01

    It is pointed out that heliostat dimensions are crucial in ensuring that sunlight is properly reflected during the day in solar furnaces and solar power stations. In determining these dimensions, allowance must be made for changes in the sun's position during the day, changes which depend on the latitude of the installation. To construct unique algorithms for calculating the dimensions, a procedure involving general concepts must be formulated and this formulation introduces a universal frame of reference. An example of this which has attracted considerable interest involves a flat round receiver that is parallel either to the horizontal plane or to the universal plane considered here.

  12. Cost Accounting Methods and Calculation Agricultural Products` Cost

    Directory of Open Access Journals (Sweden)

    Saule B. Spatayeva

    2015-04-01

    Full Text Available In the condition of the current market the effective manage of expenses and calculation accountancy of cost production in agriculture must be aimed to control for resources usage at any level of technology process and getting the accountancy database needed for gaining the management targets.The improving the technologies and set up aspects of business entity activity, taken place for the last decades, which caused a significant influence on condition and structure expenses but could not provide the increase of economic effectiveness in agriculture.

  13. Volume calculation of the spur gear billet for cold precision forging with average circle method

    Institute of Scientific and Technical Information of China (English)

    Wangjun Cheng; Chengzhong Chi; Yongzhen Wang; Peng Lin; Wei Liang; Chen Li

    2014-01-01

    Forging spur gears are widely used in the driving system of mining machinery and equipment due to their higher strength and dimensional accuracy. For the purpose of precisely calculating the volume of cylindrical spur gear billet in cold precision forging, a new theoretical method named average circle method was put forward. With this method, a series of gear billet volumes were calculated. Comparing with the accurate three-dimensional modeling method, the accuracy of average circle method by theoretical calculation was estimated and the maximum relative error of average circle method was less than 1.5%, which was in good agreement with the experimental results. Relative errors of the calculated and the experimental for obtaining the gear billet volumes with reference circle method are larger than those of the average circle method. It shows that average circle method possesses a higher calculation accuracy than reference circle method (traditional method), which should be worth popularizing widely in calculation of spur gear billet volume.

  14. A nonlinear analytic function expansion nodal method for transient calculations

    Energy Technology Data Exchange (ETDEWEB)

    Joo, Han Gyn; Park, Sang Yoon; Cho, Byung Oh; Zee, Sung Quun [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1998-12-31

    The nonlinear analytic function expansion nodal (AFEN) method is applied to the solution of the time-dependent neutron diffusion equation. Since the AFEN method requires both the particular solution and the homogeneous solution to the transient fixed source problem, the derivation of the solution method is focused on finding the particular solution efficiently. To avoid complicated particular solutions, the source distribution is approximated by quadratic polynomials and the transient source is constructed such that the error due to the quadratic approximation is minimized, In addition, this paper presents a new two-node solution scheme that is derived by imposing the constraint of current continuity at the interface corner points. The method is verified through a series of application to the NEACRP PWR rod ejection benchmark problems. 6 refs., 2 figs., 1 tab. (Author)

  15. A comparison of methods for calculating O(1S) lifetimes

    Science.gov (United States)

    Burns, G. B.; Reid, J. S.

    It is shown theoretically and with simulated data that O(1S) lifetimes determined by the cross-spectral method (Paulson and Shepherd, 1965) are significant overestimates. A comparison is made of the cross-spectral and impulse function analysis (Burns and Reid, 1984) methods using photometric data collected at Macquarie Island (54.5 deg S, 159.0 deg E geographic). The results support the view that the O(1S) state is excited predominantly by an indirect process.

  16. A probabilistic method of calculating circulation-induced trends

    Science.gov (United States)

    Brox Nilsen, Irene; Stagge, James Howard; Merete Tallaksen, Lena

    2015-04-01

    The water cycle in Europe has changed substantially over the past three decades. Increasing runoff is observed during winter and at northern latitudes in particular. Spring and summer months, as well as southern latitudes, are facing drier conditions. To understand what is driving large-scale changes in runoff, we look into changes in precipitation and temperature and link these to changes in atmospheric circulation. Previous studies have used the method of trend ratios (Cahynová and Huth, 2009) to attribute precipitation and temperature trends to changes in the frequency of circulation types. A trend ratio is the ratio of hypothetical trend, i.e., the trend that would result due to changes in circulation type frequency only, to the observed trend. However, the method of trend ratios has two drawbacks. First, if the observed trend is small, division by a very low value results in a meaningless trend ratio and thus requires a cut-off value to keep the trend ratio within meaningful boundaries. Second, the method does not allow a comparison of the observed trend to the spread of possible outcomes, because the method of hypothetical trends is based on a deterministic model. We propose a new, more robust method for detecting the importance of circulation-induced changes in explaining the observed trends, which has the benefit of being a non-parametric statistical test that assesses the entire range of hypothetical trends. Instead of creating a hypothetical series by replacing the observation on a given day with the long-term climatic mean of a certain month and circulation type (as in the existing trend ratio method), the new approach replaces the observation on a given day with a random sample from the distribution of the variable for the given month and circulation type. The method introduces the possibility to assign a rejection rate, thus allowing statistical significance to be assessed. We apply the method on time series of precipitation and temperature from the

  17. Hourly Calculation Method of Air Source Heat Pump Behavior

    Directory of Open Access Journals (Sweden)

    Ludovico Danza

    2016-04-01

    Full Text Available The paper describes an hourly simplified model for the evaluation of the energy performance of heat pumps in cooling mode maintaining a high accuracy and low computational cost. This approach differs from the methods used for the assessment of the overall energy consumption of the building, normally placed in the so-called white or black box models, where the transient conduction equation is deterministically and stochastically solved, respectively. The present method wants to be the expression of the grey box model, taking place between the previous approaches. The building envelope is defined using a building thermal model realized with a 3 Resistance 1 Capacitance (3R1C thermal network based on the solution of the lumped capacitance method. The simplified model evaluates the energy efficiency ratio (EER of a heat pump through the determination of the hourly second law efficiency of a reversed Carnot cycle. The results of the simplified method were finally compared with those provided by EnergyPlus, a dynamic building energy simulation program, and those collected from an outdoor test cell in real working conditions. The results are presented in temperatures and energy consumptions profiles and are validated using the Bland-Altman test.

  18. A New Method for Calculating Counts in Cells

    CERN Document Server

    Szapudi, I

    1997-01-01

    In the near future a new generation of CCD based galaxy surveys will enable high precision determination of the N-point correlation functions. The resulting information will help to resolve the ambiguities associated with two-point correlation functions thus constraining theories of structure formation, biasing, and Gaussianity of initial conditions independently of the value of $\\Omega$. As one the most successful methods to extract the amplitude of higher order correlations is based on measuring the distribution of counts in cells, this work presents an advanced way of measuring it with unprecedented accuracy. Szapudi and Colombi (1996, hereafter \\cite{sc96}) identified the main sources of theoretical errors in extracting counts in cells from galaxy catalogs. One of these sources, termed as measurement error, stems from the fact that conventional methods use a finite number of sampling cells to estimate counts in cells. This effect can be circumvented by using an infinite number of cells. This paper present...

  19. An improved filtered spherical harmonic method for transport calculations

    Energy Technology Data Exchange (ETDEWEB)

    Ahrens, C. [Department of Applied Mathematics and Statistics, Colorado School of Mines, Golden, CO 80401 (United States); Merton, S. [Computational Physics Group, AWE Aldermaston, Berkshire (United Kingdom)

    2013-07-01

    Motivated by the work of R. G. McClarren, C. D. Hauck, and R. B. Lowrie on a filtered spherical harmonic method, we present a new filter for such numerical approximations to the multi-dimensional transport equation. In several test problems, we demonstrate that the new filter produces results with significantly less Gibbs phenomena than the filter used by McClarren, Hauck and Lowrie. This reduction in Gibbs phenomena translates into propagation speeds that more closely match the correct propagation speed and solutions that have fewer regions where the scalar flux is negative. (authors)

  20. Visual Method for Spectral Energy Distribution Calculation of Blazars

    Indian Academy of Sciences (India)

    Y. Huang; J. H. Fan

    2014-09-01

    In this work, we propose to use `The Geometer’s Sketchpad’ to the fitting of a spectral energy distribution of blazar based on three effective spectral indices, RO, OX, and RX and the flux density in the radio band. It can make us to see the fitting in detail with both the peak frequency and peak luminosity given immediately. We used our method to those sources whose peak frequency and peak luminosity are given and found that our results are consistent with those given in the work of Sambruna et al. (1996).

  1. Rate Constant Calculation for Thermal Reactions Methods and Applications

    CERN Document Server

    DaCosta, Herbert

    2011-01-01

    Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-preci

  2. A New Efficient Method for Calculating Similarity Between Web Services

    Directory of Open Access Journals (Sweden)

    T. RACHAD

    2014-08-01

    Full Text Available Web services allow communication between heterogeneous systems in a distributed environment. Their enormous success and their increased use led to the fact that thousands of Web services are present on the Internet. This significant number of Web services which not cease to increase has led to problems of the difficulty in locating and classifying web services, these problems are encountered mainly during the operations of web services discovery and substitution. Traditional ways of search based on keywords are not successful in this context, their results do not support the structure of Web services and they consider in their search only the identifiers of the web service description language (WSDL interface elements. The methods based on semantics (WSDLS, OWLS, SAWSDL… which increase the WSDL description of a Web service with a semantic description allow raising partially this problem, but their complexity and difficulty delays their adoption in real cases. Measuring the similarity between the web services interfaces is the most suitable solution for this kind of problems, it will classify available web services so as to know those that best match the searched profile and those that do not match. Thus, the main goal of this work is to study the degree of similarity between any two web services by offering a new method that is more effective than existing works.

  3. Study on increasing calculation precision and convergence speed of streamline strip element method

    Institute of Scientific and Technical Information of China (English)

    彭艳; 刘宏民

    2004-01-01

    The calculation precision and convergence speed of streamline strip element method are increased by using the method whose initial value of the exit lateral displacement is determined with strip element variation method, and the accurate tension lateral distribution model is adopted based on the original third power spline function streamline strip element method. The basic theory of the strip element method is developed. The calculated results by the improved streamline strip element method and the original streamline strip element method are compared with the measured results, showing that the calculated results of the improved method are in good agreement with the measured results.

  4. An analytic electromagnetic calculation method for performance evolution of doubly fed induction generators for wind turbines

    DEFF Research Database (Denmark)

    Zhang, Wen-juan; Huang, Shou-dao; Chen, Zhe

    2013-01-01

    An analytic electromagnetic calculation method for doubly fed induction generator (DFIG) in wind turbine system was presented. Based on the operation principles, steady state equivalent circuit and basic equations of DFIG, the modeling for electromagnetic calculation of DFIG was proposed. The ele......An analytic electromagnetic calculation method for doubly fed induction generator (DFIG) in wind turbine system was presented. Based on the operation principles, steady state equivalent circuit and basic equations of DFIG, the modeling for electromagnetic calculation of DFIG was proposed....... The electromagnetic calculation of DFIG was divided into three steps: the magnetic flux calculation, parameters derivation and performance checks. For each step, the detailed numeric calculation formulas were all derived. Combining the calculation formulas, the whole electromagnetic calculation procedure...

  5. Theories and calculation methods for regional objective ET

    Institute of Scientific and Technical Information of China (English)

    QIN DaYong; LO JinYan; LIU JiaHong; WANG MingNa

    2009-01-01

    The regional objective ET (Evapotranspiration) is a new concept in water resources research, which refers to the total amount of water that could be exhausted from a region in the form of vapor per year. The objective-ET based water resources management allocates water to different regions in terms of ET. It controls the water exhausted from a region to meet the objective ET. The regional objective ET must be adapted to fit the region's local available water resources. By improving the water utilization effi-ciency and reducing the unrecoverable water in the social water circle, it is saved so that water related production is maintained or even increased under the same water consumption conditions. Regional water balance is realized by rationally deploying the available water among different industries, adjusting industrial structures, and adopting new water-saving technologies, therefore to meeting the requirements for groundwater conservation, agricultural income stability, and avoiding environmental damages. Furthermore, water competition among various departments and industries (including envi-ronmental and ecological water use) may be avoided. This paper proposes an innovative definition of objective ET, and its principles, sub-index systems. Besides, a computational method for regional ob-jective ET is developed by combining the distributed hydrological model and the soil moisture model.

  6. A high-precision calculation method for interface normal and curvature on an unstructured grid

    Science.gov (United States)

    Ito, Kei; Kunugi, Tomoaki; Ohno, Shuji; Kamide, Hideki; Ohshima, Hiroyuki

    2014-09-01

    In the volume-of-fluid algorithm, the calculations of the interface normal and curvature are crucially important for accurately simulating interfacial flows. However, few methods have been proposed for the high-precision interface calculation on an unstructured grid. In this paper, the authors develop a height function method that works appropriately on an unstructured grid. In the process, the definition of the height function is discussed, and the high-precision calculation method of the interface normal is developed to meet the necessary condition for a second-order method. This new method has highly reduced computational cost compared with a conventional high-precision method because the interface normal calculation is completed by solving relatively simple algebraic equations. The curvature calculation method is also discussed and the approximated quadric curve of an interface is employed to calculate the curvature. Following a basic verification, the developed height function method is shown to successfully provide superior calculation accuracy and highly reduced computational cost compared with conventional calculation methods in terms of the interface normal and curvature. In addition, the height function method succeeds in calculating accurately the slotted-disk revolution problem and the oscillating drop on unstructured grids. Therefore, the developed height function method is confirmed to be an efficient technique for the high-precision numerical simulation of interfacial flows on an unstructured grid.

  7. Study on the Processing Method for Resonance Self-shielding Calculations

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    We investigate a new approach for resonance self-shielding calculations, based on a straightforward subgroup method, used in association with characteristics method. Subgroup method is actually the subdivision of cross section range for resonance energy range.

  8. Development of approximate shielding calculation method for high energy cosmic radiation on LEO satellites

    Energy Technology Data Exchange (ETDEWEB)

    Sin, M. W.; Kim, M. H. [Kyunghee Univ., Yongin (Korea, Republic of)

    2002-10-01

    To calculate total dose effect on semi-conductor devices in satellite for a period of space mission effectively, two approximate calculation models for a comic radiation shielding were proposed. They are a sectoring method and a chord-length distribution method. When an approximate method was applied in this study, complex structure of satellite was described into multiple 1-dimensional slabs, structural materials were converted to reference material(aluminum), and the pre-calculated dose-depth conversion function was introduced to simplify the calculation process. Verification calculation was performed for orbit location and structure geometry of KITSAT-1 and compared with detailed 3-dimensional calculation results and experimental values. The calculation results from approximate method were estimated conservatively with acceptable error. However, results for satellite mission simulation were underestimated in total dose rate compared with experimental values.

  9. Hybrid analytic-numeric calculation method for light through a bounded planar dielectric

    NARCIS (Netherlands)

    Nicolau, J.B.; Groesen, van E.

    2005-01-01

    We present a hybrid analytic-numeric method to calculate the transmission and reflection of light that is fluxed into a bounded complicated optical structure surrounded by air. The solution is obtained by numerical calculations inside a square containing the structure and by analytical calculations

  10. A new method for calculating the activity of stable compound from binary phase diagram

    Institute of Scientific and Technical Information of China (English)

    CHEN Dengfu; DONG Lingyan; BAI Chenguang; LIU Qingcai; WANG Chuanjun

    2006-01-01

    A new method to calculate the activity of a stable compound in a binary phase diagram was presented and dis cussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium constant can be calculated through the mass action principle after the activities of two pure components were computed respectively. Based on that, the activity of a stable compound can be easily obtained at last. The activity of the stable compound InSb is calculated in the In-Sb binary system by using this method. The result is well consistent with another calculation value.

  11. Recent Advances in the Microscopic Calculations of Level Densities by the Shell Model Monte Carlo Method

    Directory of Open Access Journals (Sweden)

    Alhassid Y.

    2014-04-01

    Full Text Available The shell model Monte Carlo (SMMC method enables calculations in model spaces that are many orders of magnitude larger than those that can be treated by conventional methods, and is particularly suitable for the calculation of level densities in the presence of correlations. We review recent advances and applications of SMMC for the microscopic calculation of level densities. Recent developments include (i a method to calculate accurately the ground-state energy of an odd-mass nucleus, circumventing a sign problem that originates in the projection on an odd number of particles, and (ii a method to calculate directly level densities, which, unlike state densities, do not include the spin degeneracy of the levels. We calculated the level densities of a family of nickel isotopes 59−64Ni and of a heavy deformed rare-earth nucleus 162Dy and found them to be in close agreement with various experimental data sets.

  12. Efficient method for the calculation of dissipative quantum transport in quantum cascade lasers.

    Science.gov (United States)

    Greck, Peter; Birner, Stefan; Huber, Bernhard; Vogl, Peter

    2015-03-09

    We present a novel and very efficient method for calculating quantum transport in quantum cascade lasers (QCLs). It follows the nonequilibrium Green's function (NEGF) framework but sidesteps the calculation of lesser self-energies by replacing them by a quasi-equilibrium expression. This method generalizes the phenomenological Büttiker probe model by taking into account individual scattering mechanisms. It is orders of magnitude more efficient than a fully self-consistent NEGF calculation for realistic devices. We apply this method to a new THz QCL design which works up to 250 K - according to our calculations.

  13. A NUMERICAL CALCULATION METHOD FOR EIGENVALUE PROBLEMS OF NONLINEAR INTERNAL WAVES

    Institute of Scientific and Technical Information of China (English)

    SHI Xin-gang; FAN Zhi-song; LIU Hai-long

    2009-01-01

    Generally speaking, the background shear current U(z)must be taken into account in eigenvalue problems of nonlinear internal waves in ocean, as is different from those of linear internal waves. A numerical calculation method for eigenvalue problems of nonlinear internal waves is presented in this paper on the basis of the Thompson-Haskell's calculation method. As an application of this method, at a station (21°N, 117°15′E) in the South China Sea, a modal structure and parameters of nonlinear internal waves are calculated, and the results closely agree with the calculated results based on observation by Yang et al..

  14. A New Method for Setting Calculation Sequence of Directional Relay Protection in Multi-Loop Networks

    Science.gov (United States)

    Haijun, Xiong; Qi, Zhang

    2016-08-01

    Workload of relay protection setting calculation in multi-loop networks may be reduced effectively by optimization setting calculation sequences. A new method of setting calculation sequences of directional distance relay protection in multi-loop networks based on minimum broken nodes cost vector (MBNCV) was proposed to solve the problem experienced in current methods. Existing methods based on minimum breakpoint set (MBPS) lead to more break edges when untying the loops in dependent relationships of relays leading to possibly more iterative calculation workloads in setting calculations. A model driven approach based on behavior trees (BT) was presented to improve adaptability of similar problems. After extending the BT model by adding real-time system characters, timed BT was derived and the dependency relationship in multi-loop networks was then modeled. The model was translated into communication sequence process (CSP) models and an optimization setting calculation sequence in multi-loop networks was finally calculated by tools. A 5-nodes multi-loop network was applied as an example to demonstrate effectiveness of the modeling and calculation method. Several examples were then calculated with results indicating the method effectively reduces the number of forced broken edges for protection setting calculation in multi-loop networks.

  15. An effective method to accurately calculate the phase space factors for $\\beta^- \\beta^-$ decay

    CERN Document Server

    Neacsu, Andrei

    2015-01-01

    Accurate calculations of the electron phase space factors are necessary for reliable predictions of double-beta decay rates, and for the analysis of the associated electron angular and energy distributions. We present an effective method to calculate these phase space factors that takes into account the distorted Coulomb field of the daughter nucleus, yet allows one to easily calculate the phase space factors with good accuracy relative to the most exact methods available in the recent literature.

  16. Calculation of Phase Equilibria Based on the Levenberg-Marquardt Method

    Institute of Scientific and Technical Information of China (English)

    Ruijie ZHANG; Lei LI; Zhongwei CHEN; Zhi HE; Wanqi JIE

    2005-01-01

    The Levenberg-Marquardt method, the best algorithm to obtain the least-square solution of nonlinear equations, is applied to calculate the stable phase equilibria. It can get the best combination between robustness and speed of the calculations. Its application to ternary Al-Si-Mg system is executed in detail. The calculated phase equilibria agree well with the experimental results. Furthermore, the Levenberg-Marquardt method is not sensitive to the initial values.

  17. Development and Analysis of Train Brake Curve Calculation Methods with Complex Simulation

    Directory of Open Access Journals (Sweden)

    Bela Vincze

    2006-01-01

    Full Text Available This paper describes an efficient method using simulation for developing and analyzing train brake curve calculation methods for the on-board computer of the ETCS system. An application example with actual measurements is also presented.

  18. Method of Time-Delay Calculating and Correcting to Control Spin-Stabilized Satellite Synchronously

    Institute of Scientific and Technical Information of China (English)

    YangTianshe; LiJisheng; HuangYongxuan

    2005-01-01

    The key to control Spin-Stabilized Satellites Synchronously is to determine the models for calculating and correcting of time-delay at the different situations. Based on the principle of Synchronous-Control mode, the methods of determining the models of calculating and correcting of time-delay are proposed. The methods have been proved to be effective in real satellite control engineering.

  19. Error Correction of EMTDC Line and Cable Series Impedance Calculations Compared to Traditional Methods

    DEFF Research Database (Denmark)

    Sørensen, Stefan; Nielsen, Hans Ove

    2002-01-01

    In this paper we present comparison of different line and cable series impedance calculation methods, where the correction of a discovered PSCAD/EMIDC v.3.0.8 calculation error of the cable series impedance results n deviation under 0.1% instead of the previous method which gave approximately 10%...

  20. THE COST CALCULATION AND ANALYSIS BY MEANS OF THE STANDARD COST METHOD

    Directory of Open Access Journals (Sweden)

    ADRIANA MONICAŢEGLEDI

    2014-05-01

    Full Text Available Originally known as the Estimated Cost System, it has evolved, nowadays being called Standard Cost Accounting. Standard cost calculation method is based on scheduled cost, pre-calculated, set before the start of the manufacturing process itself. This method allows the determination of the elements that influence the amount of costs and their deviations from the predetermined costs.

  1. Environment-based pin-power reconstruction method for homogeneous core calculations

    Energy Technology Data Exchange (ETDEWEB)

    Leroyer, H.; Brosselard, C.; Girardi, E. [EDF R and D/SINETICS, 1 av du General de Gaulle, F92141 Claman Cedex (France)

    2012-07-01

    Core calculation schemes are usually based on a classical two-step approach associated with assembly and core calculations. During the first step, infinite lattice assemblies calculations relying on a fundamental mode approach are used to generate cross-sections libraries for PWRs core calculations. This fundamental mode hypothesis may be questioned when dealing with loading patterns involving several types of assemblies (UOX, MOX), burnable poisons, control rods and burn-up gradients. This paper proposes a calculation method able to take into account the heterogeneous environment of the assemblies when using homogeneous core calculations and an appropriate pin-power reconstruction. This methodology is applied to MOX assemblies, computed within an environment of UOX assemblies. The new environment-based pin-power reconstruction is then used on various clusters of 3x3 assemblies showing burn-up gradients and UOX/MOX interfaces, and compared to reference calculations performed with APOLLO-2. The results show that UOX/MOX interfaces are much better calculated with the environment-based calculation scheme when compared to the usual pin-power reconstruction method. The power peak is always better located and calculated with the environment-based pin-power reconstruction method on every cluster configuration studied. This study shows that taking into account the environment in transport calculations can significantly improve the pin-power reconstruction so far as it is consistent with the core loading pattern. (authors)

  2. An analytic electromagnetic calculation method for performance evolution of doubly fed induction generators for wind turbines

    Institute of Scientific and Technical Information of China (English)

    张文娟; 黄守道; 高剑; CHEN; Zhe

    2013-01-01

    An analytic electromagnetic calculation method for doubly fed induction generator(DFIG) in wind turbine system was presented. Based on the operation principles, steady state equivalent circuit and basic equations of DFIG, the modeling for electromagnetic calculation of DFIG was proposed. The electromagnetic calculation of DFIG was divided into three steps: the magnetic flux calculation, parameters derivation and performance checks. For each step, the detailed numeric calculation formulas were all derived. Combining the calculation formulas, the whole electromagnetic calculation procedure was established, which consisted of three iterative calculation loops, including magnetic saturation coefficient, electromotive force and total output power. All of the electromagnetic and performance data of DIFG can be calculated conveniently by the established calculation procedure, which can be used to evaluate the new designed machine. A 1.5 MW DFIG designed by the proposed procedure was built, for which the whole type tests including no-load test, load test and temperature rising test were carried out. The test results have shown that the DFIG satisfies technical requirements and the test data fit well with the calculation results which prove the correctness of the presented calculation method.

  3. 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....

  4. Distributed calculation method for large-pixel-number holograms by decomposition of object and hologram planes.

    Science.gov (United States)

    Jackin, Boaz Jessie; Miyata, Hiroaki; Ohkawa, Takeshi; Ootsu, Kanemitsu; Yokota, Takashi; Hayasaki, Yoshio; Yatagai, Toyohiko; Baba, Takanobu

    2014-12-15

    A method has been proposed to reduce the communication overhead in computer-generated hologram (CGH) calculations on parallel and distributed computing devices. The method uses the shifting property of Fourier transform to decompose calculations, thereby avoiding data dependency and communication. This enables the full potential of parallel and distributed computing devices. The proposed method is verified by simulation and optical experiments and can achieve a 20 times speed improvement compared to conventional methods, while using large data sizes.

  5. Conventional method for the calculation of the global energy cost of buildings; Methode conventionnelle de calcul du cout global energetique des batiments

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-05-01

    A working group driven by Electricite de France (EdF), Chauffage Fioul and Gaz de France (GdF) companies has been built with the sustain of several building engineering companies in order to clarify the use of the method of calculation of the global energy cost of buildings. This global cost is an economical decision help criterion among others. This press kit presents, first, the content of the method (input data, calculation of annual expenses, calculation of the global energy cost, display of results and limitations of the method). Then it fully describes the method and its appendixes necessary for its implementation: economical and financial context, general data of the project in progress, environmental data, occupation and comfort level, variants, investment cost of energy systems, investment cost for the structure linked with the energy system, investment cost for other invariant elements of the structure, calculation of consumptions (space heating, hot water, ventilation), maintenance costs (energy systems, structure), operation and exploitation costs, tariffs and consumption costs and taxes, actualized global cost, annualized global cost, comparison between variants. The method is applied to a council building of 23 flats taken as an example. (J.S.)

  6. Ab initio Sternheimer-GW method for quasiparticle calculations using plane waves

    Science.gov (United States)

    Lambert, Henry; Giustino, Feliciano

    2013-08-01

    We report on the extension and implementation of the Sternheimer-GW method introduced by Giustino [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.81.115105 81, 115105 (2010)] to the case of first-principles pseudopotential calculations based on a plane-waves basis. The Sternheimer-GW method consists of calculating the GW self-energy operator without resorting to the standard expansion over unoccupied Kohn-Sham electronic states. The Green's function is calculated by solving linear systems for frequencies along the real axis. The screened Coulomb interaction is calculated for frequencies along the imaginary axis by using the Sternheimer equation. Analytic continuation to the real axis is performed using Padé approximants. The generalized plasmon-pole approximation is avoided by performing explicit calculations at multiple frequencies using Frommer's multishift solver. We demonstrate our methodology by reporting tests on common insulators and semiconductors, including Si, diamond, LiCl, and SiC. Our calculated quasiparticle energies are in agreement with the results of fully converged calculations based on the sum-over-states approach. As the Sternheimer-GW method yields the complete self-energy Σ(r,r',ω) and not only its expectation values on Kohn-Sham states, this work opens the way to nonperturbative GW calculations and to direct calculations of spectral functions for angle-resolved photoemission spectroscopy. As an example of the capabilities of the method we calculate the G0W0 spectral functions of silicon and diamond.

  7. A Discussion about Reducing the Amount of Calculation of Direct Method

    Institute of Scientific and Technical Information of China (English)

    DUTai-sheng; XIAOZe-chang

    2003-01-01

    The general interpolation mentioned in this article provides an effective way for reducing the amount of calculation of direct optimal exploration. It has been testified by real case calculations that the interpolation is not only reliable but also can save the amount of calculation by nearly 36 %. Large amount of calculation and lacking strict theoretical basis has been the two disadvantage of direct method by new. If this defect is not overcome, they will not only seriously affect the application of this meth-od, but also hinder its further research. Based on sufficient calculation practice, this article has made a primary discussion about the theory and method of reducing the amount of calculation, and has achieved some satisfactory results.

  8. Fast calculation method of computer-generated cylindrical hologram using wave-front recording surface.

    Science.gov (United States)

    Zhao, Yu; Piao, Mei-lan; Li, Gang; Kim, Nam

    2015-07-01

    Fast calculation method for a computer-generated cylindrical hologram (CGCH) is proposed. The method consists of two steps: the first step is a calculation of a virtual wave-front recording surface (WRS), which is located between the 3D object and CGCH. In the second step, in order to obtain a CGCH, we execute the diffraction calculation based on the fast Fourier transform (FFT) from the WRS to the CGCH, which are in the same concentric arrangement. The computational complexity is dramatically reduced in comparison with direct integration method. The simulation results confirm that our proposed method is able to improve the computational speed of CGCH.

  9. The Impact of Harmonics Calculation Methods on Power Quality Assessment in Wind Farms

    DEFF Research Database (Denmark)

    Kocewiak, Lukasz Hubert; Hjerrild, Jesper; Bak, Claus Leth

    2010-01-01

    Different methods of calculating harmonics in measurements obtained from offshore wind farms are shown in this paper. Appropriate data processing methods are suggested for harmonics with different origin and nature. Enhancements of discrete Fourier transform application in order to reduce...... measurement data processing errors are proposed and compared with classical methods. Comparison of signal processing methods for harmonic studies is presented and application dependent on harmonics origin and nature recommended. Certain aspects related to magnitude and phase calculation in stationary...... measurement data are analysed and described. Qualitative indices of measurement data harmonic analysis in order to assess the calculation accuracy are suggested and used....

  10. Numerical methods for spin-dependent transport calculations and spin bound states analysis in Rashba waveguides

    CERN Document Server

    Xie, Hang; Sha, Wei E I

    2015-01-01

    Numerical methods are developed in the quantum transport calculations for electron in the waveguides with spin-orbital (Rashba) interaction. The methods are based on a hybrid mode-matching scheme in which the wavefunctions are expressed as the superposition of eigenmodes in the lead regions and in the device region the wavefunction is expressed on the discrete basis. Two versions are presented for the lead without and with the Rashba interaction. In the latter case the eigenmodes are obtained from a quadratic eigenproblem calculation. These methods are suitable for the systems with variable geometries or arbitrary potential profiles. The computation can be effectively accelerated by the sparse matrix technique. We also investigate the Fano-Rashba bound states in the Rashba waveguides by some nonlinear eigenstate calculation. This calculation is based on a mode-matching method and self-consistent results are obtained in our calculations.

  11. COMET-PE: an incident fluence response expansion transport method for radiotherapy calculations

    Science.gov (United States)

    Hayward, Robert M.; Rahnema, Farzad

    2013-05-01

    Accurate dose calculation is a central component of radiotherapy treatment planning. A new method of dose calculation has been developed based on transport theory and validated by comparison to Monte Carlo methods. The coarse mesh transport method has been extended to allow coupled photon-electron transport in 3D. The method combines stochastic pre-computation with a deterministic solver to achieve high accuracy and precision. To enhance the method for radiotherapy calculations, a new angular basis was derived, and an analytical source treatment was developed. Validation was performed by comparison to DOSXYZnrc using a heterogeneous interface phantom composed of water, aluminum, and lung. Calculations of both kinetic energy released per unit mass and dose were compared. Good agreement was found with a maximum error and root mean square relative error of less than 1.5% for all cases. The results show that the new method achieves an accuracy comparable to Monte Carlo.

  12. Calculation methods for SPF for heat pump systems for comparison, system choice and dimensioning

    Energy Technology Data Exchange (ETDEWEB)

    Nordman, Roger; Andersson, Kajsa; Axell, Monica; Lindahl, Markus

    2010-09-15

    In this project, results from field measurements of heat pumps have been collected and summarised. Also existing calculation methods have been compared and summarised. Analyses have been made on how the field measurements compare to existing calculation models for heat pumps Seasonal Performance Factor (SPF), and what deviations may depend on. Recommendations for new calculation models are proposed, which include combined systems (e.g. solar - HP), capacity controlled heat pumps and combined DHW and heating operation

  13. Calculation of phase equilibria of the Ag-In-Sb system by the calphad method

    Directory of Open Access Journals (Sweden)

    Borisov Ivana I.

    2007-01-01

    Full Text Available The ternary Ag-In-Sb system is a promising candidate for use as a Pb-free solder. The results of phase equilibria calculation by the CALPHAD method are presented in this study. The isothermal section at 400°C was calculated using optimized thermodynamic parameters of the constitutive binary systems. Calculated vertical sections from the indium and antimony corners were compared with the DTA results from this study and from the literature.

  14. Simple and fast cosine approximation method for computer-generated hologram calculation.

    Science.gov (United States)

    Nishitsuji, Takashi; Shimobaba, Tomoyoshi; Kakue, Takashi; Arai, Daisuke; Ito, Tomoyoshi

    2015-12-14

    The cosine function is a heavy computational operation in computer-generated hologram (CGH) calculation; therefore, it is implemented by substitution methods such as a look-up table. However, the computational load and required memory space of such methods are still large. In this study, we propose a simple and fast cosine function approximation method for CGH calculation. As a result, we succeeded in creating CGH with sufficient quality and made the calculation time 1.6 times as fast at maximum compared to using the look-up table of the cosine function on CPU implementation.

  15. THE METHODICAL BASIS OF INTEGRAL INDEX CALCULATION OF AIR COMPANY STABLE FINANCIAL DEVELOPMENT

    Directory of Open Access Journals (Sweden)

    Tatjana S. Rotar

    2015-01-01

    Full Text Available Based on the earlier published materials of authors about company’s stable development and pointing out the methods of integral index calculation of stable development, the following article is devoted to analysis of different approaches of financial stability definition.The review of the chosen methods of financial stability evaluation shows that all authors suggest the same set of indicators for evaluation, but at the same time each scientist offers his own methods for their calculation.The work also includes calculation of stable financial development indexes on the example of three Russian leading air companies.

  16. Quantum mechanical calculation of nanomaterial-ligand interaction energies by molecular fractionation with conjugated caps method

    Science.gov (United States)

    Zhang, Dawei

    2017-01-01

    Molecular fractionation with conjugate caps (MFCC) method is introduced for the efficient estimation of quantum mechanical (QM) interaction energies between nanomaterial (carbon nanotube, fullerene, and graphene surface) and ligand (charged and neutral). In the calculations, nanomaterials are partitioned into small fragments and conjugated caps that are properly capped, and the interaction energies can be obtained through the summation of QM calculations of the fragments from which the contribution of the conjugated caps is removed. All the calculations were performed by density functional theory (DFT) and dispersion contributions for the attractive interactions were investigated by dispersion corrected DFT method. The predicted interaction energies by MFCC at each computational level are found to give excellent agreement with full system (FS) calculations with the mean energy deviation just a fractional kcal/mol. The accurate determination of nanomaterial-ligand interaction energies by MFCC suggests that it is an effective method for performing QM calculations on nanomaterial-ligand systems. PMID:28300179

  17. A method for numerical calculation of propeller hydrodynamics in unsteady inflow

    Institute of Scientific and Technical Information of China (English)

    HUANG Sheng; WANG Pei-sheng; HU Jian

    2007-01-01

    The hydrodynamic performance of a propeller in unsteady inflow was calculated using the surface panel method. The surfaces of blades and hub were discreted by a number of hyperboloidal quadrilateral panels with constant source and doublet distribution. Each panel's comer coordinates were calculated by spline interpolation between the main parameter and the blade geometry of the propeller.The integral equation was derived using the Green Formula.The influence coefficient of the matrix was calculated by the Morino analytic formula. The tangential velocity distribution was calculated with the Yanagizawa method, and the pressure coefficient was calculated using the Bonuli equation. The pressure Kutta condition was satisfied at the trailing edge of the propeller blade using the Newton-Raphson iterative procedure, so as to make the pressure coefficients of the suction and pressure faces of the blade equal at the trailing edge. Calculated results for the propeller in steady inflow were taken as initialization values for the unsteady inflow calculation process. Calculations were carried out from the moment the propeller achieved steady rotation. At each time interval, a linear algebraic equation combined with Kutta condition was established on a key blade and solved numerically. Comparison between calculated results and experimental results indicates that this method is correct and effective.

  18. Integrated Power Flow and Short Circuit Calculation Method for Distribution Network with Inverter Based Distributed Generation

    Directory of Open Access Journals (Sweden)

    Shan Yang

    2016-01-01

    Full Text Available Power flow calculation and short circuit calculation are the basis of theoretical research for distribution network with inverter based distributed generation. The similarity of equivalent model for inverter based distributed generation during normal and fault conditions of distribution network and the differences between power flow and short circuit calculation are analyzed in this paper. Then an integrated power flow and short circuit calculation method for distribution network with inverter based distributed generation is proposed. The proposed method let the inverter based distributed generation be equivalent to Iθ bus, which makes it suitable to calculate the power flow of distribution network with a current limited inverter based distributed generation. And the low voltage ride through capability of inverter based distributed generation can be considered as well in this paper. Finally, some tests of power flow and short circuit current calculation are performed on a 33-bus distribution network. The calculated results from the proposed method in this paper are contrasted with those by the traditional method and the simulation method, whose results have verified the effectiveness of the integrated method suggested in this paper.

  19. ABOUT THE CALCULATED METHOD OF DETERMINING THE COORDINATES OF THE CENTER OF WEIGHT OF TYPICAL VEHICLES

    Directory of Open Access Journals (Sweden)

    D. Leontiev

    2015-12-01

    Full Text Available Based on the analysis of experimental data there was provided a method for determining loading on the rear wheels when the front wheels are raised. By comparing the results of calculations and experiments, it was revealed that the calculation error does not exceed 5 %. A smaller error for the actual weighted vehicles.

  20. ABOUT THE CALCULATED METHOD OF DETERMINING THE COORDINATES OF THE CENTER OF WEIGHT OF TYPICAL VEHICLES

    OpenAIRE

    D. Leontiev

    2015-01-01

    Based on the analysis of experimental data there was provided a method for determining loading on the rear wheels when the front wheels are raised. By comparing the results of calculations and experiments, it was revealed that the calculation error does not exceed 5 %. A smaller error for the actual weighted vehicles.

  1. A Simple and Convenient Method of Multiple Linear Regression to Calculate Iodine Molecular Constants

    Science.gov (United States)

    Cooper, Paul D.

    2010-01-01

    A new procedure using a student-friendly least-squares multiple linear-regression technique utilizing a function within Microsoft Excel is described that enables students to calculate molecular constants from the vibronic spectrum of iodine. This method is advantageous pedagogically as it calculates molecular constants for ground and excited…

  2. Calculation of electrostatic fields in ionic crystals by a Bertaut method

    NARCIS (Netherlands)

    Weenk, J.W.; Harwig, H.A.

    1975-01-01

    A method to calculate the electrostatic field strength in ionic crystals is evaluated according to a model by Bertaut. Formulae for the self potential and the field strength at an ion site are derived. The practical use is demonstrated by calculations of field vectors in TiO2 (rutile, anatase, brook

  3. Applying Activity Based Costing (ABC Method to Calculate Cost Price in Hospital and Remedy Services

    Directory of Open Access Journals (Sweden)

    A Dabiri

    2012-04-01

    Full Text Available Background: Activity Based Costing (ABC is one of the new methods began appearing as a costing methodology in the 1990. It calculates cost price by determining the usage of resources. In this study, ABC method was used for calculating cost price of remedial services in hospitals.Methods: To apply ABC method, Shahid Faghihi Hospital was selected. First, hospital units were divided into three main departments: administrative, diagnostic, and hospitalized. Second, activity centers were defined by the activity analysis method. Third, costs of administrative activity centers were allocated into diagnostic and operational departments based on the cost driver. Finally, with regard to the usage of cost objectives from services of activity centers, the cost price of medical services was calculated.Results: The cost price from ABC method significantly differs from tariff method. In addition, high amount of indirect costs in the hospital indicates that capacities of resources are not used properly.Conclusion: Cost price of remedial services with tariff method is not properly calculated when compared with ABC method. ABC calculates cost price by applying suitable mechanisms but tariff method is based on the fixed price. In addition, ABC represents useful information about the amount and combination of cost price services.

  4. Four Methods for Calculating Blood-loss after Total Knee Arthroplasty

    Institute of Scientific and Technical Information of China (English)

    Fu-Qiang Gao; Zi-Jian Li; Ke Zhang; Wei Sun; Hong Zhang

    2015-01-01

    Background:Currently,various calculation methods for evaluating blood-loss in patients with total knee arthroplasty (TKA) are applied in clinical practice.However,different methods may yield different results.The purpose of this study was to determine the most reliable method for calculating blood-loss after primary TKA.Methods:We compared blood-loss in 245 patients who underwent primary unilateral TKA from February 2010 to August 2011.We calculated blood-loss using four methods:Gross equation,hemoglobin (Hb) balance,the Orthopedic Surgery Transfusion Hemoglobin European Overview (OSTHEO) formula,and Hb-dilution.We determined Pearson's correlation coefficients for the four methods.Results:There were large differences in the calculated blood-loss obtained by the four methods.In descending order of combined correlation coefficient based on calculated blood-loss,the methods were Hb-balance,OSTHEO formula,Hb-dilution,and Gross equation.Conclusions:The Hb-balance method may be the most reliable method of estimating blood-loss after TKA.

  5. Methods of equipment depreciation calculating%设备折旧计算方法

    Institute of Scientific and Technical Information of China (English)

    杨晓雁

    2011-01-01

    For equipment management system equipment depreciation of computational problems, this paper puts forward several calculation method of equipment depreciation, and expounded the workload method, average life method and sum-of-years method, declining - balance, calculation methods.%针对仪器设备管理系统中设备折旧的计算问题,提出了设备折旧的几种计算方法,详细阐述了工作量法、平均年限法、年数总和法、双倍余额递减法的计算方法.

  6. Fast calculation of spherical computer generated hologram using spherical wave spectrum method.

    Science.gov (United States)

    Jackin, Boaz Jessie; Yatagai, Toyohiko

    2013-01-14

    A fast calculation method for computer generation of spherical holograms in proposed. This method is based on wave propagation defined in spectral domain and in spherical coordinates. The spherical wave spectrum and transfer function were derived from boundary value solutions to the scalar wave equation. It is a spectral propagation formula analogous to angular spectrum formula in cartesian coordinates. A numerical method to evaluate the derived formula is suggested, which uses only N(logN)2 operations for calculations on N sampling points. Simulation results are presented to verify the correctness of the proposed method. A spherical hologram for a spherical object was generated and reconstructed successfully using the proposed method.

  7. Improved method of generating bit reversed numbers for calculating fast fourier transform

    Digital Repository Service at National Institute of Oceanography (India)

    Suresh, T.

    Fast Fourier Transform (FFT) is an important tool required for signal processing in defence applications. This paper reports an improved method for generating bit reversed numbers needed in calculating FFT using radix-2. The refined algorithm takes...

  8. NEW METHOD FOR CALCULATING MOLECULAR ORBITALS WITH APPLICATION TO CYCLIC SYSTEMS,

    Science.gov (United States)

    New method for calculating molecular orbitals with application to cyclic systems: Stud; of the quantum mechanical problem of an electron bound to a configuration of N overlapping potentials. Reprinted from ’The Physical Review ’.

  9. A posteriori error of the transmission interference method of thin film refractive index calculation

    Science.gov (United States)

    Sisonyuk, A. G.

    1996-04-01

    The method of a posteriori error calculation has been applied to the calculation of the refractive index and thickness of optical thin films from spectrophotometric transmission interference measurements. The refractive index and thickness of transparent or semitransparent thin film deposited on a transparent substrate can be calculated using both Edser - Butler and Swanepoel equations. A least-squares method and smoothing have been used to refine the Swanepoel's estimate and a correlation analysis has been applied to the differences between the two refractive index estimates. The refractive index covariance function is approximated by an exponential function and is then used in the statistical modelling process. The method has been applied to the calculation of the refractive index of a 0022-3727/29/4/020/img1 thin film deposited on a quartz substrate. In practice the method is especially useful in view of its ability to detect the deterioration of data caused by instrumental drift.

  10. Calculation of isotopic mass and energy production by a matrix operator method. [Volterra method of the multiplicative integral

    Energy Technology Data Exchange (ETDEWEB)

    Lee, C.E.

    1976-08-01

    The Volterra method of the multiplicative integral is used to determine the isotopic density, mass, and energy production in linear systems. The solution method, assumptions, and limitations are discussed. The method allows a rapid accurate calculation of the change in isotopic density, mass, and energy production independent of the magnitude of the time steps, production or decay rates, or flux levels.

  11. A Simple Practical Method for Calculating the Calorimetric Properties of Combustion Gas

    OpenAIRE

    1980-01-01

    The simplified formulae are proposed for the enthalpy and the entropy of combustion gas constituents, by treating each gas constituent as semi-ideal gas. Based on these formulae, there is shown the practical method for calculating directly the calorimetric properties of combustion gas and the adiabatic combustion temperature. This method allows one to analyse the heat processes of combustion gas within the error approvable for practical use and also with practical simplicity. Some calculated ...

  12. Semi-random simulation method for calculating 3-D radiation transfer problems in cavity

    Institute of Scientific and Technical Information of China (English)

    冯庭桂; 赖东显

    1996-01-01

    One of the most important issues in inertial confinement fusion (ICF) is to study the uniformity of the radiation field around the implosion pellet containing fuel.To this end,a numerical method linking Monte Carlo with iteration method is presented for calculating the radiation transfer problems in a cavity.The detail of the calculation scheme is described and some numerical examples are also given.

  13. Fast, accurate and stable scattering calculation method with application to finite sized photonic crystal waveguides

    DEFF Research Database (Denmark)

    Kristensen, Philip Trøst; Lodahl, Peter; Mørk, Jesper

    2009-01-01

    We present a multipole solution to the Lippmann-Schwinger equation for electromagnetic scattering in inhomogeneous geometries. The method is illustrated by calculating the Green’s function for a finite sized two-dimensional photonic crystal waveguide.......We present a multipole solution to the Lippmann-Schwinger equation for electromagnetic scattering in inhomogeneous geometries. The method is illustrated by calculating the Green’s function for a finite sized two-dimensional photonic crystal waveguide....

  14. An efficient method for calculating RMS von Mises stress in a random vibration environment

    Energy Technology Data Exchange (ETDEWEB)

    Segalman, D.J.; Fulcher, C.W.G.; Reese, G.M.; Field, R.V. Jr. [Sandia National Labs., Albuquerque, NM (United States). Structural Dynamics and Vibration Control Dept.

    1998-02-01

    An efficient method is presented for calculation of RMS von Mises stresses from stress component transfer functions and the Fourier representation of random input forces. An efficient implementation of the method calculates the RMS stresses directly from the linear stress and displacement modes. The key relation presented is one suggested in past literature, but does not appear to have been previously exploited in this manner.

  15. An efficient method for calculating RMS von Mises stress in a random vibration environment

    Energy Technology Data Exchange (ETDEWEB)

    Segalman, D.J.; Fulcher, C.W.G.; Reese, G.M.; Field, R.V. Jr. [Sandia National Labs., Albuquerque, NM (United States). Structural Dynamics and Vibration Control Dept.

    1997-12-01

    An efficient method is presented for calculation of RMS von Mises stresses from stress component transfer functions and the Fourier representation of random input forces. An efficient implementation of the method calculates the RMS stresses directly from the linear stress and displacement modes. The key relation presented is one suggested in past literature, but does not appear to have been previously exploited in this manner.

  16. A FINITE-DIFFERENCE, DISCRETE-WAVENUMBER METHOD FOR CALCULATING RADAR TRACES

    Science.gov (United States)

    A hybrid of the finite-difference method and the discrete-wavenumber method is developed to calculate radar traces. The method is based on a three-dimensional model defined in the Cartesian coordinate system; the electromagnetic properties of the model are symmetric with respect ...

  17. COMPLEX INNER PRODUCT AVERAGING METHOD FOR CALCULATING NORMAL FORM OF ODE

    Institute of Scientific and Technical Information of China (English)

    陈予恕; 孙洪军

    2001-01-01

    This paper puts forward a complex inner product averaging method for calculating normal form of ODE. Compared with conventional averaging method, the theoretic analytical process has such simple forms as to realize computer program easily.Results can be applied in both autonomous and non-autonomous systems. At last, an example is resolved to verify the method.

  18. Bending Moment Calculations for Piles Based on the Finite Element Method

    Directory of Open Access Journals (Sweden)

    Yu-xin Jie

    2013-01-01

    Full Text Available Using the finite element analysis program ABAQUS, a series of calculations on a cantilever beam, pile, and sheet pile wall were made to investigate the bending moment computational methods. The analyses demonstrated that the shear locking is not significant for the passive pile embedded in soil. Therefore, higher-order elements are not always necessary in the computation. The number of grids across the pile section is important for bending moment calculated with stress and less significant for that calculated with displacement. Although computing bending moment with displacement requires fewer grid numbers across the pile section, it sometimes results in variation of the results. For displacement calculation, a pile row can be suitably represented by an equivalent sheet pile wall, whereas the resulting bending moments may be different. Calculated results of bending moment may differ greatly with different grid partitions and computational methods. Therefore, a comparison of results is necessary when performing the analysis.

  19. A new method for modeling rough membrane surface and calculation of interfacial interactions.

    Science.gov (United States)

    Zhao, Leihong; Zhang, Meijia; He, Yiming; Chen, Jianrong; Hong, Huachang; Liao, Bao-Qiang; Lin, Hongjun

    2016-01-01

    Membrane fouling control necessitates the establishment of an effective method to assess interfacial interactions between foulants and rough surface membrane. This study proposed a new method which includes a rigorous mathematical equation for modeling membrane surface morphology, and combination of surface element integration (SEI) method and the composite Simpson's approach for assessment of interfacial interactions. The new method provides a complete solution to quantitatively calculate interfacial interactions between foulants and rough surface membrane. Application of this method in a membrane bioreactor (MBR) showed that, high calculation accuracy could be achieved by setting high segment number, and moreover, the strength of three energy components and energy barrier was remarkably impaired by the existence of roughness on the membrane surface, indicating that membrane surface morphology exerted profound effects on membrane fouling in the MBR. Good agreement between calculation prediction and fouling phenomena was found, suggesting the feasibility of this method.

  20. On the calculation of the topographic wetness index: evaluation of different methods based on field observations

    Directory of Open Access Journals (Sweden)

    R. Sørensen

    2006-01-01

    Full Text Available The topographic wetness index (TWI, ln(a/tanβ, which combines local upslope contributing area and slope, is commonly used to quantify topographic control on hydrological processes. Methods of computing this index differ primarily in the way the upslope contributing area is calculated. In this study we compared a number of calculation methods for TWI and evaluated them in terms of their correlation with the following measured variables: vascular plant species richness, soil pH, groundwater level, soil moisture, and a constructed wetness degree. The TWI was calculated by varying six parameters affecting the distribution of accumulated area among downslope cells and by varying the way the slope was calculated. All possible combinations of these parameters were calculated for two separate boreal forest sites in northern Sweden. We did not find a calculation method that performed best for all measured variables; rather the best methods seemed to be variable and site specific. However, we were able to identify some general characteristics of the best methods for different groups of measured variables. The results provide guiding principles for choosing the best method for estimating species richness, soil pH, groundwater level, and soil moisture by the TWI derived from digital elevation models.

  1. Problems and methods of calculating the Legendre functions of arbitrary degree and order

    Science.gov (United States)

    Novikova, Elena; Dmitrenko, Alexander

    2016-12-01

    The known standard recursion methods of computing the full normalized associated Legendre functions do not give the necessary precision due to application of IEEE754-2008 standard, that creates a problems of underflow and overflow. The analysis of the problems of the calculation of the Legendre functions shows that the problem underflow is not dangerous by itself. The main problem that generates the gross errors in its calculations is the problem named the effect of "absolute zero". Once appeared in a forward column recursion, "absolute zero" converts to zero all values which are multiplied by it, regardless of whether a zero result of multiplication is real or not. Three methods of calculating of the Legendre functions, that removed the effect of "absolute zero" from the calculations are discussed here. These methods are also of interest because they almost have no limit for the maximum degree of Legendre functions. It is shown that the numerical accuracy of these three methods is the same. But, the CPU calculation time of the Legendre functions with Fukushima method is minimal. Therefore, the Fukushima method is the best. Its main advantage is computational speed which is an important factor in calculation of such large amount of the Legendre functions as 2 401 336 for EGM2008.

  2. Theoretical analysis of three methods for calculating thermal insulation of clothing from thermal manikin.

    Science.gov (United States)

    Huang, Jianhua

    2012-07-01

    There are three methods for calculating thermal insulation of clothing measured with a thermal manikin, i.e. the global method, the serial method, and the parallel method. Under the condition of homogeneous clothing insulation, these three methods yield the same insulation values. If the local heat flux is uniform over the manikin body, the global and serial methods provide the same insulation value. In most cases, the serial method gives a higher insulation value than the global method. There is a possibility that the insulation value from the serial method is lower than the value from the global method. The serial method always gives higher insulation value than the parallel method. The insulation value from the parallel method is higher or lower than the value from the global method, depending on the relationship between the heat loss distribution and the surface temperatures. Under the circumstance of uniform surface temperature distribution over the manikin body, the global and parallel methods give the same insulation value. If the constant surface temperature mode is used in the manikin test, the parallel method can be used to calculate the thermal insulation of clothing. If the constant heat flux mode is used in the manikin test, the serial method can be used to calculate the thermal insulation of clothing. The global method should be used for calculating thermal insulation of clothing for all manikin control modes, especially for thermal comfort regulation mode. The global method should be chosen by clothing manufacturers for labelling their products. The serial and parallel methods provide more information with respect to the different parts of clothing.

  3. Purity calculation method for event samples with two the same particles

    CERN Document Server

    Kuzmin, Valentin

    2016-01-01

    We present a method of the two dimensional background calculation for an analysis of events with two the same particles observing by a detector of high energy physics. Usual two dimensional integration is replaced by an approximation of a specially constructed one-dimensional function. The value of the signal events is found by the subtraction of the background from the value of all selected events. It allows to calculate the purity value of the selected events sample. The procedure does not require a hypothesis about background and signal shapes. The nice performance of the purity calculation method is shown on Monte Carlo examples of double J/psi samples.

  4. X-ray tube output based calculation of patient entrance surface dose: validation of the method

    Energy Technology Data Exchange (ETDEWEB)

    Harju, O.; Toivonen, M.; Tapiovaara, M.; Parviainen, T. [Radiation and Nuclear Safety Authority, Helsinki (Finland)

    2003-06-01

    X-ray departments need methods to monitor the doses delivered to the patients in order to be able to compare their dose level to established reference levels. For this purpose, patient dose per radiograph is described in terms of the entrance surface dose (ESD) or dose-area product (DAP). The actual measurement is often made by using a DAP-meter or thermoluminescent dosimeters (TLD). The third possibility, the calculation of ESD from the examination technique factors, is likely to be a common method for x-ray departments that do not have the other methods at their disposal or for examinations where the dose may be too low to be measured by the other means (e.g. chest radiography). We have developed a program for the determination of ESD by the calculation method and analysed the accuracy that can be achieved by this indirect method. The program calculates the ESD from the current time product, x-ray tube voltage, beam filtration and focus- to-skin distance (FSD). Additionally, for calibrating the dose calculation method and thereby improving the accuracy of the calculation, the x-ray tube output should be measured for at least one x-ray tube voltage value in each x-ray unit. The aim of the present work is to point out the restrictions of the method and details of its practical application. The first experiences from the use of the method will be summarised. (orig.)

  5. Resources calculation of cobalt-rich crusts with the grid subdivision and integral method

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    On the basis of three geological models and several orebody boundaries, a method of grid subdivision and integral has been proposed to calculate and evaluate the resources of cobalt-rich crusts on the seamounts in the central Pacific Ocean. The formulas of this method are deduced and the interface of program module is designed. The method is carried out in the software "Auto mapping system of submarine topography and geomorphology MBChart". This method and program will possibly become a potential tool to calculate the resources of seamounts and determine the target diggings for China's next Five-year Plan.

  6. Research on feasibility of computational fluid dynamics (CFD) method for traffic signs board calculation

    Science.gov (United States)

    Chao, S.; Jiao, C. W.; Liu, S.

    2016-08-01

    At this stage of the development of China's highway, the quantity and size of traffic signs are growing with the guiding information increasing. In this paper, a calculation method is provided for special sign board with reducing wind load measures to save construction materials and cost. The empirical model widely used in China is introduced for normal sign structure design. After that, this paper shows a computational fluid dynamics method, which can calculate both normal and special sign structures. These two methods are compared and analyzed with examples to ensure the applicability and feasibility of CFD method.

  7. Elastic constants of Al and TiN calculated by ab initio method

    Institute of Scientific and Technical Information of China (English)

    张铭; 申江; 何家文

    2001-01-01

    The elastic constants of Al single crystal were calculated by ab initio method for calibration. Three deformation directions were selected in order to obtain the different constants of c11, c12 and c44. The cohesion energy curves of the three deformation directions were calculated. The results of the second order partial differential at the equilibrium point of the cohesion energy curve provide the elastic constants of the Al single crystal. The changes of crystal symmetry and lattice can lead to the deviations of the calculated cohesion energy curves and the accurate elastic constants can not be obtained, but when the correction is taken into calculation, the calculated results are very close to the literature data. It is very difficult to obtain the elastic constants of thin films by experiment and the data from the handbook are scattered in a large scale. However, the elastic constants calculated by this method can be served as a standard. Though the errors of TiN elastic constants calculated by this method are a little higher than that for Al, the results are acceptable.

  8. Comparison of calculation methods for the tunnel splitting at excited states of biaxial spin models

    Institute of Scientific and Technical Information of China (English)

    Cui Xiao-Bo; Chen Zhi-De

    2004-01-01

    We present the calculation and comparison of tunnel splitting at excited levels of biaxial spin models by various methods, including the generalized instanton method, the generalized path integral method for coherent spin states,the perturbation method, and the exact method by numerical diagonalization of the Hamiltonian. It is found that,for integer spin with spin number around 10, tunnel splitting predicted by the generalized path integral for coherent spin states is about 10-n times of the exact numerical result for the nth excited level, while the ratio of the results of the perturbation method and the exact numerical method diverges in the large spin limit. We thus conclude that the generalized instanton method is the best approximate way for calculating tunnel splitting in spin models.

  9. Tensile force correction calculation method for prestressed construction of tension structures

    Institute of Scientific and Technical Information of China (English)

    Xin ZHUO; Guo-fa ZHANG; Koichiro ISHIKAWA; Dao-an LOU

    2008-01-01

    Factors such as errors during the fabrication or construction of structural components and errors of calculation assumption or calculation methods,are very likely to cause serious deviation of many strings'actual prestressing forces from the designed values during tension structure construction or service period,and further to threaten the safety and reliability of the structure.Aiming at relatively large errors of the prestressing force of strings in a tension structure construction or service period,this paper proposes a new finite element method(FEM),the"tensile force correction calculation method".Based on the measured prestressing forces of the strings,this new method applies the structure from the zero prestressing force status approach to the measured prestressing force status for the first phase,and from the measured prestressing force status approach to the designed prestressing force status for the second phase.The construction tensile force correction value for each string can be obtained by multi-iteration with FEM.Using the results of calculation,the strings'tensile force correction by group and in batch will be methodic,simple and accurate.This new calculation method Can be applied to the prestressed correction construction simulation analysis for tension structures.

  10. A hypersonic aeroheating calculation method based on inviscid outer edge of boundary layer parameters

    Science.gov (United States)

    Meng, ZhuXuan; Fan, Hu; Peng, Ke; Zhang, WeiHua; Yang, HuiXin

    2016-12-01

    This article presents a rapid and accurate aeroheating calculation method for hypersonic vehicles. The main innovation is combining accurate of numerical method with efficient of engineering method, which makes aeroheating simulation more precise and faster. Based on the Prandtl boundary layer theory, the entire flow field is divided into inviscid and viscid flow at the outer edge of the boundary layer. The parameters at the outer edge of the boundary layer are numerically calculated from assuming inviscid flow. The thermodynamic parameters of constant-volume specific heat, constant-pressure specific heat and the specific heat ratio are calculated, the streamlines on the vehicle surface are derived and the heat flux is then obtained. The results of the double cone show that at the 0° and 10° angle of attack, the method of aeroheating calculation based on inviscid outer edge of boundary layer parameters reproduces the experimental data better than the engineering method. Also the proposed simulation results of the flight vehicle reproduce the viscid numerical results well. Hence, this method provides a promising way to overcome the high cost of numerical calculation and improves the precision.

  11. Calculations of Self-diffusion Activation Energies for Alkaline Metals With Embedded Atom Method

    Institute of Scientific and Technical Information of China (English)

    欧阳义芳; 张邦维; 廖树帜

    1994-01-01

    Calculations were performed for the self-diffusion activation energies of monovacancy and both formation and binding energies of divacancies for alkaline metals Li, Na, K, Rb, Cs using the embedded atom method (EAM) model for bcc transition metals developed by the authors recently. The aim of the paper is to extend the application of the new model, to compare the calculated values for self-diffusion with the experimental data and those of previous calculations, and to discuss the intrinsic characteristic of self-diffusion in alkaline metals. The calculated monovacancy migration energies and activation energies are in excellent agreement with experimental data, and the calculated divacancy migration and activation energies are in good agreement with the experimental values available.

  12. A Novel Energy Yields Calculation Method for Irregular Wind Farm Layout

    DEFF Research Database (Denmark)

    Hou, Peng; Hu, Weihao; Soltani, Mohsen;

    2015-01-01

    Due to the increasing size of offshore wind farm, the impact of the wake effect on energy yields become more and more evident. The Seafloor topography would limit the layout of the wind farm so that irregular layout is usually adopted inlarge scale offshore wind farm. However, the calculation...... for the energy yields in irregular wind farm considering wake effect would be difficult.In this paper, a mathematical model which includes the impacts of the variation of both wind direction and velocityon wake effect is established. Based on the wake model, a binary matrix method is proposed for the energy...... yields calculation forirregular wind farms.The results show that the proposed wake model is effective in calculating the wind speeddeficit. The calculation framework is applicable for energy yields calculation in irregular wind farms....

  13. Guideline of Monte Carlo calculation. Neutron/gamma ray transport simulation by Monte Carlo method

    CERN Document Server

    2002-01-01

    This report condenses basic theories and advanced applications of neutron/gamma ray transport calculations in many fields of nuclear energy research. Chapters 1 through 5 treat historical progress of Monte Carlo methods, general issues of variance reduction technique, cross section libraries used in continuous energy Monte Carlo codes. In chapter 6, the following issues are discussed: fusion benchmark experiments, design of ITER, experiment analyses of fast critical assembly, core analyses of JMTR, simulation of pulsed neutron experiment, core analyses of HTTR, duct streaming calculations, bulk shielding calculations, neutron/gamma ray transport calculations of the Hiroshima atomic bomb. Chapters 8 and 9 treat function enhancements of MCNP and MVP codes, and a parallel processing of Monte Carlo calculation, respectively. An important references are attached at the end of this report.

  14. A method for selecting the CIE standard general sky model with regard to calculating luminance distributions

    Science.gov (United States)

    Ferraro, Vittorio; Marinelli, Valerio; Mele, Marilena

    2013-04-01

    It is known that the best predictions of sky luminances are obtainable by the CIE 15 standard skies model, but the predictions by this model need knowledge of the measured luminance distributions themselves, since a criterion for selecting the type of sky starting from the irradiance values has not found until now. The authors propose a new simple method of applying the CIE model, based on the use of the sky index Si. A comparison between calculated luminance data and data measured in Arcavacata of Rende (Italy), Lyon (France) and Pamplona (Spain) show a good performance of this method in comparison with other methods of calculation of luminance existing in the literature.

  15. Monte Carlo and deterministic computational methods for the calculation of the effective delayed neutron fraction

    Science.gov (United States)

    Zhong, Zhaopeng; Talamo, Alberto; Gohar, Yousry

    2013-07-01

    The effective delayed neutron fraction β plays an important role in kinetics and static analysis of the reactor physics experiments. It is used as reactivity unit referred to as "dollar". Usually, it is obtained by computer simulation due to the difficulty in measuring it experimentally. In 1965, Keepin proposed a method, widely used in the literature, for the calculation of the effective delayed neutron fraction β. This method requires calculation of the adjoint neutron flux as a weighting function of the phase space inner products and is easy to implement by deterministic codes. With Monte Carlo codes, the solution of the adjoint neutron transport equation is much more difficult because of the continuous-energy treatment of nuclear data. Consequently, alternative methods, which do not require the explicit calculation of the adjoint neutron flux, have been proposed. In 1997, Bretscher introduced the k-ratio method for calculating the effective delayed neutron fraction; this method is based on calculating the multiplication factor of a nuclear reactor core with and without the contribution of delayed neutrons. The multiplication factor set by the delayed neutrons (the delayed multiplication factor) is obtained as the difference between the total and the prompt multiplication factors. Using Monte Carlo calculation Bretscher evaluated the β as the ratio between the delayed and total multiplication factors (therefore the method is often referred to as the k-ratio method). In the present work, the k-ratio method is applied by Monte Carlo (MCNPX) and deterministic (PARTISN) codes. In the latter case, the ENDF/B nuclear data library of the fuel isotopes (235U and 238U) has been processed by the NJOY code with and without the delayed neutron data to prepare multi-group WIMSD neutron libraries for the lattice physics code DRAGON, which was used to generate the PARTISN macroscopic cross sections. In recent years Meulekamp and van der Marck in 2006 and Nauchi and Kameyama

  16. A new method for calculating the Glauber multiple scattering amplitude of composite particles

    Science.gov (United States)

    Zhang, Yu-Shun; Hu, Su-Fen; Yang, Chao-Yun; Liu, Ji-Feng

    1997-11-01

    The method for calculating the scattering of composite particles with several kinds of constituent is studied. The formulae are derived and the method for sorting all Glauber expansion terms into several classes is given. The method of the integration is different from that of Lin and co-workers (Lin Z J et al 1991 J. Phys. G: Nucl. Part. Phys. 17 1159) and its analytical expressions are introduced. We calculate the D - D, P - P, P - 0954-3899/23/11/005/img7 and 0954-3899/23/11/005/img8 - P elastic scatterings. These results are compared with the data.

  17. The effective atomic numbers of some biomolecules calculated by two methods: A comparative study

    DEFF Research Database (Denmark)

    Manohara, S.R.; Hanagodimath, S.M.; Gerward, Leif

    2009-01-01

    The effective atomic numbers Z(eff) of some fatty acids and amino acids have been calculated by two numerical methods, a direct method and an interpolation method, in the energy range of 1 keV-20 MeV. The notion of Z(eff) is given a new meaning by using a modern database of photon interaction cross...... constant and equal to the mean atomic number of the material. Wherever possible, the calculated values of Z(eff) are compared with experimental data....

  18. Precise integration method without inverse matrix calculation for structural dynamic equations

    Institute of Scientific and Technical Information of China (English)

    Wang Mengfu; F. T. K. Au

    2007-01-01

    The precise integration method proposed for linear time-invariant homogeneous dynamic systems can provide accurate numerical results that approach an exact solution at integration points. However, difficulties arise when the algorithm is used for non-homogeneous dynamic systems due to the inverse matrix calculation required. In this paper, the structural dynamic equalibrium equations are converted into a special form, the inverse matrix calculation is replaced by the Crout decomposition method to solve the dynamic equilibrium equations, and the precise integration method without the inverse matrix calculation is obtained. The new algorithm enhances the present precise integration method by improving both the computational accuracy and efficiency. Two numerical examples are given to demonstrate the validity and efficiency of the proposed algorithm.

  19. Roundtrip matrix method for calculating the leaky resonant modes of open nanophotonic structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper;

    2014-01-01

    We present a numerical method for calculating quasi-normal modes of open nanophotonic structures. The method is based on scattering matrices and a unity eigenvalue of the roundtrip matrix of an internal cavity, and we develop it in detail with electromagnetic fields expanded on Bloch modes...

  20. Comparison of Two Methods for Speeding Up Flash Calculations in Compositional Simulations

    DEFF Research Database (Denmark)

    Belkadi, Abdelkrim; Yan, Wei; Michelsen, Michael Locht;

    2011-01-01

    Flash calculation is the most time consuming part in compositional reservoir simulations and several approaches have been proposed to speed it up. Two recent approaches proposed in the literature are the shadow region method and the Compositional Space Adaptive Tabulation (CSAT) method. The shado...

  1. Calculation Method for Reliability of Agricultural Distribution Power Networks while Applying Functions of Boolean Algebra

    Directory of Open Access Journals (Sweden)

    V. Rusan

    2012-01-01

    Full Text Available The paper considers calculation methods for reliability of  agricultural distribution power networks while using Boolean algebra functions and analytical method. Reliability of 10 kV overhead line circuits with automatic sectionalization points and automatic standby activation has been investigated in the paper.

  2. An improved method for calculating force distributions in moment-stiff timber connections

    DEFF Research Database (Denmark)

    Ormarsson, Sigurdur; Blond, Mette

    2012-01-01

    An improved method for calculating force distributions in moment-stiff metal dowel-type timber connections is presented, a method based on use of three-dimensional finite element simulations of timber connections subjected to moment action. The study that was carried out aimed at determining how...... the slip modulus varies with the angle between the direction of the dowel forces and the fibres in question, as well as how the orthotropic stiffness behaviour of the wood material affects the direction and the size of the forces. It was assumed that the force distribution generated by the moment action...... taking place strives to minimize the slip rotation between the separate members of a given timber connection. The results of modified hand calculations based on the finite element calculations carried out were found to differ appreciably from the results of conventional hand calculations....

  3. Dose calculation and in-phantom measurement in BNCT using response matrix method.

    Science.gov (United States)

    Rahmani, Faezeh; Shahriari, Majid

    2011-12-01

    In-phantom measurement of physical dose distribution is very important for Boron Neutron Capture Therapy (BNCT) planning validation. If any changes take place in therapeutic neutron beam due to the beam shaping assembly (BSA) change, the dose will be changed so another group of simulations should be carried out for dose calculation. To avoid this time consuming procedure and speed up the dose calculation to help patients not wait for a long time, response matrix method was used. This procedure was performed for neutron beam of the optimized BSA as a reference beam. These calculations were carried out using the MCNPX, Monte Carlo code. The calculated beam parameters were measured for a SNYDER head phantom placed 10 cm away from beam the exit of the BSA. The head phantom can be assumed as a linear system and neutron beam and dose distribution can be assumed as an input and a response of this system (head phantom), respectively. Neutron spectrum energy was digitized into 27 groups. Dose response of each group was calculated. Summation of these dose responses is equal to a total dose of the whole neutron/gamma spectrum. Response matrix is the double dimension matrix (energy/dose) in which each parameter represents a depth-dose resulted from specific energy. If the spectrum is changed, response of each energy group may be differed. By considering response matrix and energy vector, dose response can be calculated. This method was tested for some BSA, and calculations show statistical errors less than 10%.

  4. Processes of heat and mass transfer taking place in underground roadways and their calculation methods

    Energy Technology Data Exchange (ETDEWEB)

    Cifka, I.

    1987-01-01

    Advantages and limitations of some methods used for calculating underground climatic conditions are summarized. Measurement data are evaluated concerning the underground climatic conditions of various galleries in a deep ore mine now under construction. The heat amount absorbed by the air flowing in drifts is to be calculated from the rock side by a corrected heat flow factor. The absorption of vapor has to be calculated by a factor that expresses the ratio of heat and vapor absorptions. These latter values have to be determined reliably by in situ measurements.

  5. Methods for calculating phase angle from measured whole body bioimpedance modulus

    Science.gov (United States)

    Nordbotten, Bernt J.; Martinsen, Ørjan G.; Grimnes, Sverre

    2010-04-01

    Assuming the Cole equation we have developed a method to calculate the Cole parameters (R0, R∞, α, τZ) and the phase angle from four frequency measurements of impedance modulus values. The values obtained compare well with impedance measurements obtained using the Solatron 1294/1260 as obtained when making whole body measurements on five persons. We have also performed calculations using an algorithm based on the Kramers-Kronig approach. The results which are presented show that it is possible to obtain complete body impedance data combining relatively simple measurements with advanced calculation using a laptop. This extends the potential of portable equipment, since the measurements will require less instrumentation.

  6. Similarity Calculation Method of Chinese Short Text Based on Semantic Feature Space

    OpenAIRE

    Liqiang Pan; Pu Zhang; Anping Xiong

    2015-01-01

    In order to improve the accuracy of short text similarity calculation, this paper presents the idea that use the history of short text messages to construct semantic feature space, then use the vector in semantic feature space to represent short text and do semantic extension, and finally calculate the short text similarity of corresponding vector in the semantic feature space. This method can represent the semantic information of short text message thoroughly so as to improve the accuracy of...

  7. Study on comparison of different methods to calculating sensitivity index of Jensen model

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Real coded Accelerating Genetic Algorithm (RAGA), Chaos Algorithm (CA) were used to solve the sensitivity index of Jensen model which is one of models of crop water production function. After comparing with the outcome of Least Square Regression (LSR), the result showed that RAGA not only had high accuracy and more effective, but also saved calculating time. The authors provides new effective methods for calculating index of crop water production function.

  8. Extreme Wind Calculation Applying Spectral Correction Method – Test and Validation

    OpenAIRE

    Hansen, Brian Ohrbeck; Larsén, Xiaoli Guo; Kelly, Mark C; Rathmann, Ole Steen; Berg, Jacob; Bechmann, Andreas; Sempreviva, Anna Maria; Ejsing Jørgensen, Hans

    2016-01-01

    This report presents a test and validation of extreme wind calculation applying the Spectral Correction method as implemented in the WAsP Engineering 4 software package. The test and validation is based on four sites located in Denmark, one site located in the Netherlands and one site located in the USA. Calculations have been carried out using wind data from on-site meteorological masts as well as long-term reference wind data.

  9. Multiplatform application for calculating a combined standard uncertainty using a Monte Carlo method

    Science.gov (United States)

    Niewinski, Marek; Gurnecki, Pawel

    2016-12-01

    The paper presents a new computer program for calculating a combined standard uncertainty. It implements the algorithm described in JCGM 101:20081 which is concerned with the use of a Monte Carlo method as an implementation of the propagation of distributions for uncertainty evaluation. The accuracy of the calculation has been obtained by using the high quality random number generators. The paper describes the main principles of the program and compares the obtained result with example problems presented in JCGM Supplement 1.

  10. Study on the response of thermoluminescent dosemeters to synchrotron radiation: experimental method and Monte Carlo calculations.

    Science.gov (United States)

    Bakshi, A K; Chatterjee, S; Palani Selvam, T; Dhabekar, B S

    2010-07-01

    In the present study, the energy dependence of response of some popular thermoluminescent dosemeters (TLDs) have been investigated such as LiF:Mg,Ti, LiF:Mg,Cu,P and CaSO(4):Dy to synchrotron radiation in the energy range of 10-34 keV. The study utilised experimental, Monte Carlo and analytical methods. The Monte Carlo calculations were based on the EGSnrc and FLUKA codes. The calculated energy response of all the TLDs using the EGSnrc and FLUKA codes shows excellent agreement with each other. The analytically calculated response shows good agreement with the Monte Carlo calculated response in the low-energy region. In the case of CaSO(4):Dy, the Monte Carlo-calculated energy response is smaller by a factor of 3 at all energies in comparison with the experimental response when polytetrafluoroethylene (PTFE) (75 % by wt) is included in the Monte Carlo calculations. When PTFE is ignored in the Monte Carlo calculations, the difference between the calculated and experimental response decreases (both responses are comparable >25 keV). For the LiF-based TLDs, the Monte Carlo-based response shows reasonable agreement with the experimental response.

  11. Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations.

    Science.gov (United States)

    Moore, Stan G; Crozier, Paul S

    2014-06-21

    Several extensions and improvements have been made to the multilevel summation method (MSM) of computing long-range electrostatic interactions. These include pressure calculation, an improved error estimator, faster direct part calculation, extension to non-orthogonal (triclinic) systems, and parallelization using the domain decomposition method. MSM also allows fully non-periodic long-range electrostatics calculations which are not possible using traditional Ewald-based methods. In spite of these significant improvements to the MSM algorithm, the particle-particle particle-mesh (PPPM) method was still found to be faster for the periodic systems we tested on a single processor. However, the fast Fourier transforms (FFTs) that PPPM relies on represent a major scaling bottleneck for the method when running on many cores (because the many-to-many communication pattern of the FFT becomes expensive) and MSM scales better than PPPM when using a large core count for two test problems on Sandia's Redsky machine. This FFT bottleneck can be reduced by running PPPM on only a subset of the total processors. MSM is most competitive for relatively low accuracy calculations. On Sandia's Chama machine, however, PPPM is found to scale better than MSM for all core counts that we tested. These results suggest that PPPM is usually more efficient than MSM for typical problems running on current high performance computers. However, further improvements to MSM algorithm could increase its competitiveness for calculation of long-range electrostatic interactions.

  12. Line-shape calculation method for suspension bridge catwalk considering different states of bearing cables

    Institute of Scientific and Technical Information of China (English)

    You Xinpeng; Zhang Zhaoxia; Yao Qingtao

    2012-01-01

    The line-shape of catwalk of long-span suspension bridge is obtained by using the segmental catenary method to carry out the iterative calculation, where all the bearing cables are considered as one cable, and transversal passages and gantry are treated as nodes which divide the catwalk into several segments. The difference of line-shape and force between catwalk bearing cable and gantry bearing cable is not usually considered, but the line-shape of two kinds of cables is actually inconsistent because of the constraints from gantries. Based on the segmental catenary method, considering the different states of bearing cables ( DSB calculation method), fine calculation is carried out. This method is applied to the design of a suspension bridge' s catwalk, and is compared with the traditional calculation method. It is obtained that the result is more reasonable and accurate by the coordination calculation method considering different states for two kinds of load-bearing cables, which is worth considering in the nrocess of design and optimization for catwalk.

  13. Diffusion coefficients for LMFBR cells calculated with MOC and Monte Carlo methods

    Energy Technology Data Exchange (ETDEWEB)

    Rooijen, W.F.G. van, E-mail: rooijen@u-fukui.ac.j [Research Institute of Nuclear Energy, University of Fukui, Bunkyo 3-9-1, Fukui-shi, Fukui-ken 910-8507 (Japan); Chiba, G., E-mail: chiba.go@jaea.go.j [Japan Atomic Energy Agency, 2-4 Shirakata Shirane, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan)

    2011-01-15

    The present work discusses the calculation of the diffusion coefficient of a lattice of hexagonal cells, with both 'sodium present' and 'sodium absent' conditions. Calculations are performed in the framework of lattice theory (also known as fundamental mode approximation). Unlike the classical approaches, our heterogeneous leakage model allows the calculation of diffusion coefficients under all conditions, even if planar voids are present in the lattice. Equations resulting from this model are solved using the method of characteristics (MOC). Independent confirmation of the MOC result comes from Monte Carlo calculations, in which the diffusion coefficient is obtained without any of the assumptions of lattice theory. It is shown by comparison to the Monte Carlo results that the MOC solution yields correct values of the diffusion coefficient under all conditions, even in cases where the classic calculation of the diffusion coefficient fails. This work is a first step in the development of a robust method to calculate the diffusion coefficient of lattice cells. Adoption into production codes will require more development and validation of the method.

  14. The geometrical acoustic method for calculating the echo of targets submerged in a shallow water waveguide

    Institute of Scientific and Technical Information of China (English)

    CHEN Yan; TANG Weilin; FAN Wei; FAN Jun

    2012-01-01

    A geometrical acoustic method based on image-source method and physicM acoustic method was developed to calculate the echo of targets submerged in the shallow water waveguide. The incident rays and the scattering rays are reflected by two boundaries for many times, and then the back rays become countless. The total backscattering field is obtained through summing up the scattering field produced by each combination of incident rays and back rays. The echo of the 10m-radius pressure release sphere in Pekeris waveguide with the range is calculated by the geometrical acoustic method. Compared with the results calculated by the wave acoustic method in the available literature, it shows that both are in accordance on average value and descend trend. The following results indicate that the difference between Effective Target Strength (ETS) in shallow water and the Target Strength (TS) in free space for spheres and certain other rounded objects is small. However, the ETS of some targets such as cone-shaped is quite different from TS in free space, which can lead to large errors in estimating a target's scattering property using traditional sonar equation. Compared with the method of wave acoustics, the geometrical acoustic method not only has the definite physical meaning but also can calculate the echo of complex objects in shallow water waveguide.

  15. A new method of calculating electrical conductivity with applications to natural waters

    Science.gov (United States)

    McCleskey, R. Blaine; Nordstrom, D. Kirk; Ryan, Joseph N.; Ball, James W.

    2012-01-01

    A new method is presented for calculating the electrical conductivity of natural waters that is accurate over a large range of effective ionic strength (0.0004–0.7 mol kg-1), temperature (0–95 °C), pH (1–10), and conductivity (30–70,000 μS cm-1). The method incorporates a reliable set of equations to calculate the ionic molal conductivities of cations and anions (H+, Li+, Na+, K+, Cs+, NH4+, Mg2+, Ca2+, Sr2+, Ba2+, F-, Cl-, Br-, SO42-, HCO3-, CO32-, NO3-, and OH-), environmentally important trace metals (Al3+, Cu2+, Fe2+, Fe3+, Mn2+, and Zn2+), and ion pairs (HSO4-, NaSO4-, NaCO3-, and KSO4-). These equations are based on new electrical conductivity measurements for electrolytes found in a wide range of natural waters. In addition, the method is coupled to a geochemical speciation model that is used to calculate the speciated concentrations required for accurate conductivity calculations. The method was thoroughly tested by calculating the conductivities of 1593 natural water samples and the mean difference between the calculated and measured conductivities was -0.7 ± 5%. Many of the samples tested were selected to determine the limits of the method and include acid mine waters, geothermal waters, seawater, dilute mountain waters, and river water impacted by municipal waste water. Transport numbers were calculated and H+, Na+, Ca2+, Mg2+, NH4+, K+, Cl-, SO42-, HCO3-, CO32-, F-, Al3+, Fe2+, NO3-, and HSO4- substantially contributed (>10%) to the conductivity of at least one of the samples. Conductivity imbalance in conjunction with charge imbalance can be used to identify whether a cation or an anion measurement is likely in error, thereby providing an additional quality assurance/quality control constraint on water analyses.

  16. A comparison of methods for calculating notch tip strains and stresses under multiaxial loading

    Directory of Open Access Journals (Sweden)

    M. Lutovinov

    2016-10-01

    Full Text Available Selected methods for calculating notch tip strains and stresses in elastic–plastic isotropic bodies subjected to multiaxial monotonic loading were compared. The methods use sets of equations where hypothetical notch tip elastic strains and stresses obtained from FEM calculations serve as an input. The comparison was performed within two separate groups of methods: the first group consists of the methods intended for cases of multiaxial proportional loading and the second group deals with multiaxial non-proportional loading. Originally, the precision of the methods was validated by comparison with results obtained from elastic–plastic FEM analyses. Since computer performance at the time was lower than nowadays, verification of the proposed methods on FEM models with a finer mesh was needed. Such verification was carried out and is presented in this paper. The effect of various formulations of material stress–strain curve was also evaluated

  17. A GPU-based calculation using the three-dimensional FDTD method for electromagnetic field analysis.

    Science.gov (United States)

    Nagaoka, Tomoaki; Watanabe, Soichi

    2010-01-01

    Numerical simulations with the numerical human model using the finite-difference time domain (FDTD) method have recently been performed frequently in a number of fields in biomedical engineering. However, the FDTD calculation runs too slowly. We focus, therefore, on general purpose programming on the graphics processing unit (GPGPU). The three-dimensional FDTD method was implemented on the GPU using Compute Unified Device Architecture (CUDA). In this study, we used the NVIDIA Tesla C1060 as a GPGPU board. The performance of the GPU is evaluated in comparison with the performance of a conventional CPU and a vector supercomputer. The results indicate that three-dimensional FDTD calculations using a GPU can significantly reduce run time in comparison with that using a conventional CPU, even a native GPU implementation of the three-dimensional FDTD method, while the GPU/CPU speed ratio varies with the calculation domain and thread block size.

  18. A new calculation method for the number of radial slots of a Terfenol rod

    Institute of Scientific and Technical Information of China (English)

    HE XiPing; ZHANG Pin

    2009-01-01

    Terfenol is an ideal choice for medium to high power low frequency sonar. It can offer the transducer designer higher strain, higher power density, but the designer must be aware of the eddy current. To enhance efficiency of the barrel-stave transducer powered by a Terfenol rod, radial slots rather than laminations were used to control eddy currents in the Terfenol drive rod, and the effectiveness and the number of these slots were studied experimentally and calculated by finite element modeling. Based on the characteristic of vortex path, a new simple geometrical method to calculate the number of the radial slots of a Terfenol rod at the operating frequency is put forward in this paper. Moreover, the calculated results are in good agreement with those of using the finite element method (FEM) for the slotted Ter-fenol rod given by the literature. The method will save much cost to design Terfenol rod transducers.

  19. An efficient Monte Carlo method for calculating ab initio transition state theory reaction rates in solution

    CERN Document Server

    Iftimie, R; Schofield, J P; Iftimie, Radu; Salahub, Dennis; Schofield, Jeremy

    2003-01-01

    In this article, we propose an efficient method for sampling the relevant state space in condensed phase reactions. In the present method, the reaction is described by solving the electronic Schr\\"{o}dinger equation for the solute atoms in the presence of explicit solvent molecules. The sampling algorithm uses a molecular mechanics guiding potential in combination with simulated tempering ideas and allows thorough exploration of the solvent state space in the context of an ab initio calculation even when the dielectric relaxation time of the solvent is long. The method is applied to the study of the double proton transfer reaction that takes place between a molecule of acetic acid and a molecule of methanol in tetrahydrofuran. It is demonstrated that calculations of rates of chemical transformations occurring in solvents of medium polarity can be performed with an increase in the cpu time of factors ranging from 4 to 15 with respect to gas-phase calculations.

  20. Investigation of a method to calculate spontaneous radiation spectra from relativistic electrons in undulators

    Institute of Scientific and Technical Information of China (English)

    CHEN Ming-Zhi; HE Jian-Hua

    2009-01-01

    Undulators are key devices to produce brilliant synchrotron radiation at the synchrotron radiation facilities.In this paper we present a numerical computing method,including the computing program that has been developed to calculate the spontaneous radiation emitted from relativistic electrons in undulators by simulating the electrons' trajectory.The effects of electron beam emittance and energy spread have also been taken into account.Comparing with other computing methods available at present,this method has a few advantages with respect to several aspects.It can adopt any measured or arbitrarily simulated 3D magnetic field and arbitrary electron beam pattern for the calculation and it's able to analyze undulators of any type of magnetic structure.It's expected to predict precisely the practical radiation spectrum.The calculation results of a short period in-vacuum undulator and an EllipticaUy Polarized Undulator (EPU) at Shanghai Synchrotron Radiation Facility (SSRF) are presented as examples.

  1. A fast high-order method to calculate wakefield forces in an electron beam

    CERN Document Server

    Qiang, Ji; Ryne, Robert D

    2012-01-01

    In this paper we report on a high-order fast method to numerically calculate wakefield forces in an electron beam given a wake function model. This method is based on a Newton-Cotes quadrature rule for integral approximation and an FFT method for discrete summation that results in an $O(Nlog(N))$ computational cost, where $N$ is the number of grid points. Using the Simpson quadrature rule with an accuracy of $O(h^4)$, where $h$ is the grid size, we present numerical calculation of the wakefields from a resonator wake function model and from a one-dimensional coherent synchrotron radiation (CSR) wake model. Besides the fast speed and high numerical accuracy, the calculation using the direct line density instead of the first derivative of the line density avoids numerical filtering of the electron density function for computing the CSR wakefield force.

  2. Calculation Method to Determine the Group Composition of Vacuum Distillate with High Content of Saturated Hydrocarbons

    Directory of Open Access Journals (Sweden)

    Nazarova Galina

    2016-01-01

    Full Text Available Calculation method to determine the group composition of the heavy fraction of vacuum distillate with high content of saturated hydrocarbons, obtained by vacuum distillation of the residue from the West Siberian oil with subsequent hydrotreating, are given in this research. The method is built on the basis of calculation the physico-chemical characteristics and the group composition of vacuum distillate according to the fractional composition and density considering with high content of saturated hydrocarbons in the fraction. Calculation method allows to determine the content of paraffinic, naphthenic, aromatic hydrocarbons and the resins in vacuum distillate with high accuracy and can be used in refineries for rapid determination of the group composition of vacuum distillate.

  3. A new calculation method for the number of radial slots of a Terfenol rod

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Terfenol is an ideal choice for medium to high power low frequency sonar. It can offer the transducer designer higher strain, higher power density, but the designer must be aware of the eddy current. To enhance efficiency of the barrel-stave transducer powered by a Terfenol rod, radial slots rather than laminations were used to control eddy currents in the Terfenol drive rod, and the effectiveness and the number of these slots were studied experimentally and calculated by finite element modeling. Based on the characteristic of vortex path, a new simple geometrical method to calculate the number of the radial slots of a Terfenol rod at the operating frequency is put forward in this paper. Moreover, the calculated results are in good agreement with those of using the finite element method (FEM) for the slotted Terfenol rod given by the literature. The method will save much cost to design Terfenol rod transducers.

  4. Calculation of Dipole Transition Matrix Elements and Expectation Values by Vibrational Coupled Cluster Method.

    Science.gov (United States)

    Banik, Subrata; Pal, Sourav; Prasad, M Durga

    2010-10-12

    An effective operator approach based on the coupled cluster method is described and applied to calculate vibrational expectation values and absolute transition matrix elements. Coupled cluster linear response theory (CCLRT) is used to calculate excited states. The convergence pattern of these properties with the rank of the excitation operator is studied. The method is applied to a water molecule. Arponen-type double similarity transformation in extended coupled cluster (ECCM) framework is also used to generate an effective operator, and the convergence pattern of these properties is compared to the normal coupled cluster (NCCM) approach. It is found that the coupled cluster method provides an accurate description of these quantities for low lying vibrational excited states. The ECCM provides a significant improvement for the calculation of the transition matrix elements.

  5. 图算角变力矩法%Chart Calculation Angular Change Force Moment Method

    Institute of Scientific and Technical Information of China (English)

    马楠

    2012-01-01

    The method of moment distribution is one kind of the mechanics analytical method with wide-ranging application in the engineering field. Angular change force moment is defined as the amount of the angular displacement of the structure joints expressed by force moment. Chart calculation angular change force moment method is defined as the method of solving the hyperstatic structure with the help of the concepts of the method of moment distribution. Its unknown amount is the angular change force moment and its object is the calculation chart. This is also the calculation while looking at the calculation chart. Chart calculation angular change force moment method is against the demerits such as the many waiting-for calculation amounts and the progressive calculation and the approximation with the error of truncation and so on in the method of moment distribution. Of course,it also externalized the merits such as the normalizing-calculation modality and the clear thought way and the reduced mind labour conveniently. Thus it has been one kind of the direct and accurate mechanics analytic method that has been the foundation of hyperstatic structure in order to build a common and unified mechanics analytic method.%力矩分配法,是工程界常用的手算结构的力学分析方法.以力矩表达结构结点角位移的量,称为角变力矩.以角变力矩为未知量,以计算图为对象利用力矩分配法概念求解超静定结构的方法,称为图算角变力矩法,即边看图边计算角变力矩的方法.图算角变力矩法,克服了力矩分配法直接待求量个数多、计算的渐近性和有截断误差的近似性等缺点,发扬了力矩分配法计算程式规范,省脑力、思路清晰等优点,成为一种直接精确的力学分析方法,为建立超静定结构普遍统一的力学分析方法奠定了基础.

  6. Solution-large molecules method for calculating the equilibrium composition of heterogeneous systems

    Energy Technology Data Exchange (ETDEWEB)

    Alemasov, V.E.; Gruzdeva, Z.KH.; Dregalin, A.A.; Dregalin, A.F.

    1985-01-01

    A refined method for calculating the equilibrium composition of heterogeneous systems is presented which combines the advantages of the large-molecule method and of the model of an ideal solution of condensed phases. It is shown that the new method provides better convergence and requires less computational effort than either of the above approaches. Results are presented for the combustion products of O2 + BeH2 fuel.

  7. CALCULATING THE MOLECULAR INTERNAL ROTATING STERIC FACTOR OF POLYMERS BY THE RADIATION CROSSLINKING METHOD

    Institute of Scientific and Technical Information of China (English)

    ZHANG Wanxi; SUN Jiazhen

    1987-01-01

    In this paper, calculating the molecular internal rotating steric factor of polymers by the radiation crosslinking method is studied and a relationship between the molecular internal rotating steric factor (σ) and crosslinking parameter β is established[1] by taking account of the effect of polymer chain flexibility on β value. σ value of polymer obtained by this method is in agreement with that given with other method.

  8. Calculating electron momentum densities and Compton profiles using the linear tetrahedron method.

    Science.gov (United States)

    Ernsting, D; Billington, D; Haynes, T D; Millichamp, T E; Taylor, J W; Duffy, J A; Giblin, S R; Dewhurst, J K; Dugdale, S B

    2014-12-10

    A method for computing electron momentum densities and Compton profiles from ab initio calculations is presented. Reciprocal space is divided into optimally-shaped tetrahedra for interpolation, and the linear tetrahedron method is used to obtain the momentum density and its projections such as Compton profiles. Results are presented and evaluated against experimental data for Be, Cu, Ni, Fe3Pt, and YBa2Cu4O8, demonstrating the accuracy of our method in a wide variety of crystal structures.

  9. Continuum discretization methods in a composite-particle scattering off a nucleus: the benchmark calculations

    CERN Document Server

    Rubtsova, O A; Moro, A M

    2008-01-01

    The direct comparison of two different continuum discretization methods towards the solution of a composite particle scattering off a nucleus is presented. The first approach -- the Continumm-Discretized Coupled Channel method -- is based on the differential equation formalism, while the second one -- the Wave-Packet Continuum Discretization method -- uses the integral equation formulation for the composite-particle scattering problem. As benchmark calculations we have chosen the deuteron off \

  10. On the Surface Free Energy of PVC/EVA Polymer Blends: Comparison of Different Calculation Methods.

    Science.gov (United States)

    Michalski; Hardy; Saramago

    1998-12-01

    The surface free energy of polymeric films of polyvinylchloride (PVC) + poly(ethylene-co-vinylacetate) (EVA) blends was calculated using the van Oss treatment (Lifshitz and electron donor-electron acceptor components of surface free energy) and the Owens-Wendt treatment (dispersive and nondispersive components of surface free energy). Surface free energy results were found to be greatly dependent on the calculation method and on the number of standard liquids used for contact angle measurements. The nondispersive/donor-acceptor surface free energy component and the total surface free energy of polymeric films were always higher when the van Oss treatment was used compared to the Owens-Wendt treatment. Conversely, both methods led to similar apolar/Lifshitz components. All the calculation methods were in good agreement for the surface free energy of PVC; however, a discrepancy between the methods arose as EVA content in the blends increased. It seems that there is not yet a definite solution for the calculation of solid surface free energy. Further developments of existing models are needed in order to gain consistency when calculating this important physicochemical quantity. Copyright 1998 Academic Press.

  11. Extension of the angular spectrum method to calculate pressure from a spherically curved acoustic source.

    Science.gov (United States)

    Vyas, Urvi; Christensen, Douglas A

    2011-11-01

    The angular spectrum method is an accurate and computationally efficient method for modeling acoustic wave propagation. The use of the typical 2D fast Fourier transform algorithm makes this a fast technique but it requires that the source pressure (or velocity) be specified on a plane. Here the angular spectrum method is extended to calculate pressure from a spherical transducer-as used extensively in applications such as magnetic resonance-guided focused ultrasound surgery-to a plane. The approach, called the Ring-Bessel technique, decomposes the curved source into circular rings of increasing radii, each ring a different distance from the intermediate plane, and calculates the angular spectrum of each ring using a Fourier series. Each angular spectrum is then propagated to the intermediate plane where all the propagated angular spectra are summed to obtain the pressure on the plane; subsequent plane-to-plane propagation can be achieved using the traditional angular spectrum method. Since the Ring-Bessel calculations are carried out in the frequency domain, it reduces calculation times by a factor of approximately 24 compared to the Rayleigh-Sommerfeld method and about 82 compared to the Field II technique, while maintaining accuracies of better than 96% as judged by those methods for cases of both solid and phased-array transducers.

  12. Application of LAMBDA Method to the Calculation of Slant Path Wet Vapor Content of GPS Signals

    Science.gov (United States)

    Huang, Shan-Qi; Wang, Jie-Xian; Wang, Xiao-Ya; Chen, Jun-Ping

    2009-10-01

    With the improvement of the GPS data processing techniques and calculating accuracy, the GPS has been increasingly and widely applied to atmospheric science. In the research on GPS meteorology the slant path wet vapor content (SWV) is one of the significant parameters. In the light of the problem of poorer real time, which existed in the method proposed by Song Shuli et al. in 2004, for directly calculating the SWV by means of the precise ephemeris, IGS clock error and observed value of the LC combination after the cycle skip processing, the LAMBDA method which has more mature application to the city virtual reference station (VRS) is applied to the problem of the processing of ambiguity search. Through the trial calculation of data, it is tested and verified that the method is feasible and there is a better uniformity when the calculated result is projected into the zenith direction. The atmospheric delay in the vertical direction obtained by using this method is compared with the result of the GAMIT or the BERNESE, with the result showing that the accuracy of the coincidence of the result of the method with that of the BERNESE is generally smaller than 1.5 cm and the accuracy of the coincidence of the result of the method with that of the GAMIT is generally smaller than 10 cm.

  13. A Simple and Accurate Method for Calculating the Gaussian Beam Expansion Coefficients

    Institute of Scientific and Technical Information of China (English)

    LIU Wei; YANG Jun

    2010-01-01

    @@ The calculation of the diffraction field radiated from the ultrasonic transducer can be simplified by using the Gaussian beam expansion technique.The key problem of this technique is how to determine the coefficients of Gaussian functions.We present a simple and accurate optimization method to calculate the Gaussian beam expansion Coefficients.Half of the coefficients are obtained by solving linear equations.The other half are derived from the Fourier series expansion.Wave field simulation results demonstrate the validity of the new method.

  14. Simplified calculation method for computer-generated holographic stereograms from multi-view images.

    Science.gov (United States)

    Takaki, Yasuhiro; Ikeda, Kyohei

    2013-04-22

    A simple calculation method to synthesize computer-generated holographic stereograms, which does not involve diffraction calculations, is proposed. It is assumed that three-dimension (3D) image generation by holographic stereograms is similar to that of multi-view autostereoscopic displays, in that multiple parallax images are displayed with rays converging to corresponding viewpoints. Therefore, a wavefront is calculated, whose amplitude is the square root of an intensity distribution of a parallax image and whose phase is a quadric phase distribution of a spherical wave converging to a viewpoint. Multiple wavefronts calculated for multiple viewpoints are summed up to obtain an object wave, which is then used to determine a hologram pattern. The proposed technique was experimentally verified.

  15. Calculation method of quantum efficiency to TiO2 nanocrystal photocatalysis reaction

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The quantum yield is an important factor to evaluate the efficiency of photoreactor. This article gives an overall calculation method of the quantum efficiency(ф) and the apparent quantum efficiency(ф2) to the TiO2/UV photocatalysis system. Furthermore, for the immobility system (IS), the formulation of the faction of light absorbed by the TiO2 thin film is proposed so as to calculate the quantum efficiency by using the measured value and theoretic calculated value of transmissivity (T). For the suspension system(SS), due to the difficulty to obtain the absorption coefficient (α) of TiO2 particulates, the quantum efficiency is calculated by means of the relative photonic efficiency (ξr) and the standard quantum yield (фstandard).

  16. An adjusted energy-saving quantity calculation method for building energy-efficient retrofit

    Institute of Scientific and Technical Information of China (English)

    王清勤; 孟冲

    2009-01-01

    Aiming at a comprehensive assessment of energy-saving retrofitting effect on existing buildings,a calculation method is developed to adjust energy-saving quantity in standard condition for comparison under the same conditions. A mathematical model,method theory and calculation steps are given. Error analysis results show that this method can be applied accurately to practical engineering projects. In a case study of energy-saving quantity assessment before and after retrofitting on a certain hospital in Shanghai,with energy simulation software TRNSYS,detailed application of this method is introduced and analyzed. The method is applied to the case of energy-saving quantity assessment to a hospital in Shanghai before and after retrofitting with the energy simulation software TRNSYS.

  17. A New Method to Calculate Centrifugal Pump Performance Parameters for Industrial Oils

    Directory of Open Access Journals (Sweden)

    mohammad hassan shojaeefard

    2015-01-01

    Full Text Available Pumping of oil instead of water using centrifugal pumps causes rapid increase in the hydraulic losses which results significant reduction in head and efficiency. Therefore, deriving analytical methods to calculate variation of pump performance parameters versus working fluid viscosity is very important. In the present study, a novel method is proposed to calculate the head (H, efficiency ( and input power ( in P based on the loss analysis for pumps using industrial oils. A computer code is developed based on represented method and the results of this method are compared with experimental results for a centrifugal pump of type KWP KBloc65- 200. The results show good agreement between analytical and experimental methods. Finally, using such computer code, diagrams of head, efficiency and input power versus working fluid viscosity are plotted.The results show an interesting point known as “sudden rising head” which is observed experimentally and numerically in literatures.

  18. Dose calculation using a numerical method based on Haar wavelets integration

    Energy Technology Data Exchange (ETDEWEB)

    Belkadhi, K., E-mail: khaled.belkadhi@ult-tunisie.com [Unité de Recherche de Physique Nucléaire et des Hautes Énergies, Faculté des Sciences de Tunis, Université Tunis El-Manar (Tunisia); Manai, K. [Unité de Recherche de Physique Nucléaire et des Hautes Énergies, Faculté des Sciences de Tunis, Université Tunis El-Manar (Tunisia); College of Science and Arts, University of Bisha, Bisha (Saudi Arabia)

    2016-03-11

    This paper deals with the calculation of the absorbed dose in an irradiation cell of gamma rays. Direct measurement and simulation have shown that they are expensive and time consuming. An alternative to these two operations is numerical methods, a quick and efficient way can furnish an estimation of the absorbed dose by giving an approximation of the photon flux at a specific point of space. To validate the numerical integration method based on the Haar wavelet for absorbed dose estimation, a study with many configurations was performed. The obtained results with the Haar wavelet method showed a very good agreement with the simulation highlighting good efficacy and acceptable accuracy. - Highlights: • A numerical integration method using Haar wavelets is detailed. • Absorbed dose is estimated with Haar wavelets method. • Calculated absorbed dose using Haar wavelets and Monte Carlo simulation using Geant4 are compared.

  19. Improved method for calculating neoclassical transport coefficients in the banana regime

    Energy Technology Data Exchange (ETDEWEB)

    Taguchi, M., E-mail: taguchi.masayoshi@nihon-u.ac.jp [College of Industrial Technology, Nihon University, Narashino 275-8576 (Japan)

    2014-05-15

    The conventional neoclassical moment method in the banana regime is improved by increasing the accuracy of approximation to the linearized Fokker-Planck collision operator. This improved method is formulated for a multiple ion plasma in general tokamak equilibria. The explicit computation in a model magnetic field shows that the neoclassical transport coefficients can be accurately calculated in the full range of aspect ratio by the improved method. The some neoclassical transport coefficients for the intermediate aspect ratio are found to appreciably deviate from those obtained by the conventional moment method. The differences between the transport coefficients with these two methods are up to about 20%.

  20. A comparison of the finite difference and finite element methods for heat transfer calculations

    Science.gov (United States)

    Emery, A. F.; Mortazavi, H. R.

    1982-01-01

    The finite difference method and finite element method for heat transfer calculations are compared by describing their bases and their application to some common heat transfer problems. In general it is noted that neither method is clearly superior, and in many instances, the choice is quite arbitrary and depends more upon the codes available and upon the personal preference of the analyst than upon any well defined advantages of one method. Classes of problems for which one method or the other is better suited are defined.

  1. 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

    This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crack tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number 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

  2. Statistical methods to evaluate the correlation between measured and calculated dose using quality assurance method in IMRT

    Directory of Open Access Journals (Sweden)

    Abdulhamid Chaikh

    2015-12-01

    Full Text Available Purpose: the objective of this study is to validate a procedure based on a statistical method to assess the agreement and the correlation between measured and calculated dose in the process of quality assurance (QA for Intensity-Modulated Radiation Therapy (IMRT.Patients and methods: 10 patients including 56 fields for head and neck cancer treatment were analyzed. For each patient, one treatment plan was generated using Eclipse TPS®. To compare the calculated dose with measured dose a CT-scan of solid water slabs (30 × 30 × 15 cm3 was used. The measurements were done for absolute dose by a pinpoint ionization chamber and 2D dose distributions using electronic portal imaging device dosimetry. Six criteria levels were applied for each case (3%, 3 mm, (4%, 3 mm, (5%, 3 mm, (4%, 4 mm, (5%, 4 mm and (5%, 5 mm. The normality of the data and the variance homogeneity were tested using Shapiro-Wilks test and Levene’s test, respectively. Wilcoxon signed-rank paired test was used to calculate p-value. Bland-Altman method was used to calculate the limit of agreement between calculated and measured doses and to draw a scatter plot. The correlation between calculated and measured doses was assessed using Spearman’s rank test.Results: The statistical tests indicate that the data do not fulfill normal distribution, p < 0.001 and had a homogenous variance, p = 0.85. The upper and lower limit of agreements for absolute dose measurements were 6.44% and -6.40%, respectively. Wilcoxon test indicated a significance difference between calculated and measured dose with ionization chamber, p = 0.01. Spearman’s test indicated a strong correlation between calculated and absolute measured dose, ρ = 0.99. Therefore, there is a lack of correlation between dose difference for absolute dose measurements and gamma passing rates for 2D dose measurements.Conclusion: the statistical tests showed that the common acceptance criteria’s using gamma evaluation are not able

  3. Calculation Method of Earth-Atmosphere Stray Light Illuminance on Low-orbit Space Cameras

    Directory of Open Access Journals (Sweden)

    Yujun Du

    2013-12-01

    Full Text Available The earth-atmosphere stray light can lower contrast ratio and SNR of spatial optical remote sensors, or even fail the system at certain conditions. Errors in the calculation of the stray light illuminance based on point source are very large, for the satellite’s altitude is only several hundred kilometers and far less than the radius of the earth. This paper proposed a stray light illuminance calculating method which viewed the earth as a plane stray source and introduced the method in detail. Using the calculating method, earth-atmosphere stray light illuminance on the camera image plane for a low-orbit space camera at a typical position is calculated, and the results were compared with those calculated by viewing the earth as a point source, which evidently show that, when considering the earth-atmosphere stray light’s effects on low-orbit space cameras, it’s necessary to treat the earth as a plane extended light source

  4. Method for calculating required shielding in medical x-ray rooms; Roentgentutkimushuoneen saeteilysuojauksen laskeminen

    Energy Technology Data Exchange (ETDEWEB)

    Karppinen, J

    1997-10-01

    The new annual radiation dose limits - 20 mSv (previously 50 mSv) for radiation workers and 1 mSv (previously 5 mSv) for other persons - implies that the adequacy of existing radiation shielding must be re-evaluated. In principle, one could assume that the thicknesses of old radiation shields should be increased by about one or two half-value layers in order to comply with the new dose limits. However, the assumptions made in the earlier shielding calculations are highly conservative; the required shielding was often determined by applying the maximum high-voltage of the x-ray tube for the whole workload. A more realistic calculation shows that increased shielding is typically not necessary if more practical x-ray tube voltages are used in the evaluation. We have developed a PC-based calculation method for calculating the x-ray shielding which is more realistic than the highly conservative method formerly used. The method may be used to evaluate an existing shield for compliance with new regulations. As examples of these calculations, typical x-ray rooms are considered. The lead and concrete thickness requirements as a function of x-ray tube voltage and workload are also given in tables. (author) 18 refs.

  5. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

    Energy Technology Data Exchange (ETDEWEB)

    McKechnie, Scott [Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Booth, George H. [Theory and Simulation of Condensed Matter, King’s College London, The Strand, London WC2R 2LS (United Kingdom); Cohen, Aron J. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Cole, Jacqueline M., E-mail: jmc61@cam.ac.uk [Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Argonne National Laboratory, 9700 S Cass Avenue, Argonne, Illinois 60439 (United States)

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  6. Regularizing the molecular potential in electronic structure calculations. II. Many-body methods

    Energy Technology Data Exchange (ETDEWEB)

    Bischoff, Florian A., E-mail: florian.bischoff@hu-berlin.de [Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, 10099 Berlin (Germany)

    2014-11-14

    In Paper I of this series [F. A. Bischoff, “Regularizing the molecular potential in electronic structure calculations. I. SCF methods,” J. Chem. Phys. 141, 184105 (2014)] a regularized molecular Hamilton operator for electronic structure calculations was derived and its properties in SCF calculations were studied. The regularization was achieved using a correlation factor that models the electron-nuclear cusp. In the present study we extend the regularization to correlated methods, in particular the exact solution of the two-electron problem, as well as second-order many body perturbation theory. The nuclear and electronic correlation factors lead to computations with a smaller memory footprint because the singularities are removed from the working equations, which allows coarser grid resolution while maintaining the precision. Numerical examples are given.

  7. A new method for the calculation of Sommerfeld screening parameter 1 in x-ray spectra

    Indian Academy of Sciences (India)

    U D Misra; S Chaturvedi

    2001-06-01

    The paper describes a new method for the calculation of the Sommerfeld screening parameter 1. It requires neither the knowledge of the energy separations of spin doublet levels nor is it based on the application of the Hertz law. The only data required for the calculation are the experimental energy values of the level concerned for the series of elements belonging to the same subshell in which the element in the question is situated. As an illustration the values of 1 are calculated for the 1, 2 and 3 levels for elements belonging to the 4 subshell and these are found to be in excellent agreement with those published earlier by Gokhale and Misra. The method brings out the constancy of 1(23)-1(1) in a natural way and may thus be regarded as providing theoretical explanation of the Hertz law.

  8. Method of Images for the Fast Calculation of Temperature Distributions in Packaged VLSI Chips

    CERN Document Server

    Hériz, Virginia Martín; Kemper, T; Kang, S -M; Shakouri, A

    2008-01-01

    Thermal aware routing and placement algorithms are important in industry. Currently, there are reasonably fast Green's function based algorithms that calculate the temperature distribution in a chip made from a stack of different materials. However, the layers are all assumed to have the same size, thus neglecting the important fact that the thermal mounts which are placed underneath the chip can be significantly larger than the chip itself. In an earlier publication, we showed that the image blurring technique can be used to calculate quickly temperature distribution in realistic packages. For this method to be effective, temperature distribution for several point heat sources at the center and at the corner and edges of the chip should be calculated using finite element analysis (FEA) or measured. In addition, more accurate results require correction by a weighting function that will need several FEA simulations. In this paper, we introduce the method of images that take the symmetry of the thermal boundary...

  9. Phased Beam Tracing Method Using the Reflection Coefficient Calculated from the Absorption Coefficient

    DEFF Research Database (Denmark)

    Jeong, Cheol-Ho; Ih, Jeong-Guon; Rindel, Jens Holger

    2005-01-01

    the measured surface impedance. However, it is not always possible to get the measured impedance data of the surface, so that a practical way of getting reflection characteristics is needed. Generally, in the architectural acoustics field, the absorption coefficients have been employed in the calculations...... in spite of the fact that the usual assumptions of geometric acoustics still hold. In the calculation of pressure impulse response, it is essential to have the reflection characteristics of the surfaces in the enclosed space. There is a method to obtain the reflection coefficient of the surface using......, whereas Rindel proposed the angle dependent reflection coefficient which can be calculated from absorption coefficient under the several assumptions. In this research, the angle dependent reflection coefficients were adopted in the phased beam tracing method and the results are compared with measurement...

  10. An improved method for calculating force distributions in moment-stiff timber connections

    DEFF Research Database (Denmark)

    Ormarsson, Sigurdur; Blond, Mette

    2012-01-01

    An improved method for calculating force distributions in moment-stiff multi-dowel timber connections is presented, a method based on use of three-dimensional finite element simulations of timber connections subjected to moment action. The study that was carried out aimed at determining how...... the slip modulus varies with the angle between the direction of the dowel forces and the fibres in question, as well as how the orthotropic stiffness behaviour of the wood material affects the direction and the size of the forces. It was assumed that the force distribution generated by the moment action...... taking place strives to minimize the slip rotation between the separate members of a given timber connection. The results of modified hand calculations and of the corresponding finite element calculations that were performed were found to agree rather closely, and to differ remarkably from the results...

  11. Extreme Wind Calculation Applying Spectral Correction Method – Test and Validation

    DEFF Research Database (Denmark)

    Hansen, Brian Ohrbeck; Larsén, Xiaoli Guo; Kelly, Mark C.

    This report presents a test and validation of extreme wind calculation applying the Spectral Correction method as implemented in the WAsP Engineering 4 software package. The test and validation is based on four sites located in Denmark, one site located in the Netherlands and one site located in ...... in the USA. Calculations have been carried out using wind data from on-site meteorological masts as well as long-term reference wind data.......This report presents a test and validation of extreme wind calculation applying the Spectral Correction method as implemented in the WAsP Engineering 4 software package. The test and validation is based on four sites located in Denmark, one site located in the Netherlands and one site located...

  12. Optimization Method for Indoor Thermal Comfort Based on Interactive Numerical Calculation

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In order to implement the optimal design of the indoor thermal comfort based on the numerical modeling method, the numerical calculation platform is combined seamlessly with the data-processing platform, and an interactive numerical calculation platform which includes the functions of numerical simulation and optimization is established. The artificial neural network (ANN) and the greedy strategy are introduced into the hill-climbing pattern heuristic search process, and the optimizing search direction can be predicted by using small samples; when searching along the direction using the greedy strategy, the optimal values can be quickly approached. Therefore, excessive external calling of the numerical modeling process can be avoided,and the optimization time is decreased obviously. The experimental results indicate that the satisfied output parameters of air conditioning can be quickly given out based on the interactive numerical calculation platform and the improved search method, and the optimization for indoor thermal comfort can be completed.

  13. New Systematic CFD Methods to Calculate Static and Single Dynamic Stability Derivatives of Aircraft

    Directory of Open Access Journals (Sweden)

    Bai-gang Mi

    2017-01-01

    Full Text Available Several new systematic methods for high fidelity and reliability calculation of static and single dynamic derivatives are proposed in this paper. Angle of attack step response is used to obtain static derivative directly; then translation acceleration dynamic derivative and rotary dynamic derivative can be calculated by employing the step response motion of rate of the angle of attack and unsteady motion of pitching angular velocity step response, respectively. Longitudinal stability derivative calculations of SACCON UCAV are taken as test cases for validation. Numerical results of all cases achieve good agreement with reference values or experiments data from wind tunnel, which indicate that the proposed methods can be considered as new tools in the process of design and production of advanced aircrafts for their high efficiency and precision.

  14. A method of moments for calculating dynamic responses beyond linear response theory

    Institute of Scientific and Technical Information of China (English)

    Kang Yan-Mei; Xu Jian-Xue; Xie Yong

    2005-01-01

    A method of moments for calculating the dynamic response of periodically driven overdamped nonlinear stochastic systems in the general response sense is proposed, which is a modification of the method of moments confined within linear response theory. The calculating experience suggests that the proposed technique is simple and efficient in implementation, and the comparison with stochastic simulation shows that the first three orders of susceptibilities calculated by the proposed technique have high accuracy. The dependence of the spectral amplification parameters at the first three harmonics on the noise intensity is also investigated, and another observed phenomenon of stochastic resonance in the systems induced by the location of a single periodic orbit is disclosed and explained.

  15. An automated Monte-Carlo based method for the calculation of cascade summing factors

    Science.gov (United States)

    Jackson, M. J.; Britton, R.; Davies, A. V.; McLarty, J. L.; Goodwin, M.

    2016-10-01

    A versatile method has been developed to calculate cascade summing factors for use in quantitative gamma-spectrometry analysis procedures. The proposed method is based solely on Evaluated Nuclear Structure Data File (ENSDF) nuclear data, an X-ray energy library, and accurate efficiency characterisations for single detector counting geometries. The algorithm, which accounts for γ-γ, γ-X, γ-511 and γ-e- coincidences, can be applied to any design of gamma spectrometer and can be expanded to incorporate any number of nuclides. Efficiency characterisations can be derived from measured or mathematically modelled functions, and can accommodate both point and volumetric source types. The calculated results are shown to be consistent with an industry standard gamma-spectrometry software package. Additional benefits including calculation of cascade summing factors for all gamma and X-ray emissions, not just the major emission lines, are also highlighted.

  16. New method to estimate the sample size for calculation of a proportion assuming binomial distribution.

    Science.gov (United States)

    Vallejo, Adriana; Muniesa, Ana; Ferreira, Chelo; de Blas, Ignacio

    2013-10-01

    Nowadays the formula to calculate the sample size for estimate a proportion (as prevalence) is based on the Normal distribution, however it would be based on a Binomial distribution which confidence interval was possible to be calculated using the Wilson Score method. By comparing the two formulae (Normal and Binomial distributions), the variation of the amplitude of the confidence intervals is relevant in the tails and the center of the curves. In order to calculate the needed sample size we have simulated an iterative sampling procedure, which shows an underestimation of the sample size for values of prevalence closed to 0 or 1, and also an overestimation for values closed to 0.5. Attending to these results we proposed an algorithm based on Wilson Score method that provides similar values for the sample size than empirically obtained by simulation.

  17. Advanced numerical methods for three dimensional two-phase flow calculations

    Energy Technology Data Exchange (ETDEWEB)

    Toumi, I. [Laboratoire d`Etudes Thermiques des Reacteurs, Gif sur Yvette (France); Caruge, D. [Institut de Protection et de Surete Nucleaire, Fontenay aux Roses (France)

    1997-07-01

    This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses an extension of Roe`s method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations.

  18. A study of laboratory testing and calculation methods for coal sorption isotherms

    Institute of Scientific and Technical Information of China (English)

    Lei ZHANG; Ting-Xiang REN; Naj AZIZ

    2013-01-01

    Measurement of the volume of gas adsorbed per unit mass of coal with increasing pressure at a constant temperature produces an isotherm that describes the gas storage capacity of this type of coal.The accurate testing and interpretation of coal sorption isotherm plays an important role in the areas of coal mine methane drainage,coalbed methane (CBM) reservoir resource assessment,enhanced coalbed methane (ECBM) recovery,as well as the carbon dioxide (CO2) sequestration in deep coal seams or similar geological formations.Different coal sorption isotherm testing apparatus and associated calculation methods are critically reviewed and presented in this paper.These include both volumetric and gravimetric based methods,as well as experimental sorption tests with confining stress and direction sorption methods.The volumetric techniques utilise experimental apparatus with sample cell and injection pump and that with both sample cell and reference cell.Whilst the gravimetric approachesinclude methods with sample cell and suspension magnetic balance and that with both sample cell and reference cell.Different testing methods are compared and discussed in this study.A unique in-house-built coal sorption isotherm testing apparatus at the University of Wollongong was presented together with the calculation method,procedures and experimental results.The isotherm results can be calculated by both Soave-Redlich-Kwong (SRK) equation and calibration cure methods which can be used directly to convert the volume of adsorbed gas in different test conditions to standard condition (NTP).

  19. Free molecular collision cross section calculation methods for nanoparticles and complex ions with energy accommodation

    Energy Technology Data Exchange (ETDEWEB)

    Larriba, Carlos, E-mail: clarriba@umn.edu; Hogan, Christopher J.

    2013-10-15

    The structures of nanoparticles, macromolecules, and molecular clusters in gas phase environments are often studied via measurement of collision cross sections. To directly compare structure models to measurements, it is hence necessary to have computational techniques available to calculate the collision cross sections of structural models under conditions matching measurements. However, presently available collision cross section methods contain the underlying assumption that collision between gas molecules and structures are completely elastic (gas molecule translational energy conserving) and specular, while experimental evidence suggests that in the most commonly used background gases for measurements, air and molecular nitrogen, gas molecule reemission is largely inelastic (with exchange of energy between vibrational, rotational, and translational modes) and should be treated as diffuse in computations with fixed structural models. In this work, we describe computational techniques to predict the free molecular collision cross sections for fixed structural models of gas phase entities where inelastic and non-specular gas molecule reemission rules can be invoked, and the long range ion-induced dipole (polarization) potential between gas molecules and a charged entity can be considered. Specifically, two calculation procedures are described detail: a diffuse hard sphere scattering (DHSS) method, in which structures are modeled as hard spheres and collision cross sections are calculated for rectilinear trajectories of gas molecules, and a diffuse trajectory method (DTM), in which the assumption of rectilinear trajectories is relaxed and the ion-induced dipole potential is considered. Collision cross section calculations using the DHSS and DTM methods are performed on spheres, models of quasifractal aggregates of varying fractal dimension, and fullerene like structures. Techniques to accelerate DTM calculations by assessing the contribution of grazing gas

  20. Calculation Method for the Projection of Future Spent Nuclear Fuel Discharges

    Energy Technology Data Exchange (ETDEWEB)

    B. McLeod

    2002-02-28

    This report describes the calculation method developed for the projection of future utility spent nuclear fuel (SNF) discharges in regard to their timing, quantity, burnup, and initial enrichment. This projection method complements the utility-supplied RW-859 data on historic discharges and short-term projections of SNF discharges by providing long-term projections that complete the total life cycle of discharges for each of the current U.S. nuclear power reactors. The method was initially developed in mid-1999 to update the SNF discharge projection associated with the 1995 RW-859 utility survey (CRWMS M&O 1996). and was further developed as described in Rev. 00 of this report (CRWMS M&O 2001a). Primary input to the projection of SNF discharges is the utility projection of the next five discharges from each nuclear unit, which is provided via the revised final version of the Energy Information Administration (EIA) 1998 RW-859 utility survey (EIA 2000a). The projection calculation method is implemented via a set of Excel 97 spreadsheets. These calculations provide the interface between receipt of the utility five-discharge projections that are provided in the RW-859 survey, and the delivery of projected life-cycle SNF discharge quantities and characteristics in the format requisite for performing logistics analysis to support design of the Civilian Radioactive Waste Management System (CRWMS). Calculation method improvements described in this report include the addition of a reactor-specific maximum enrichment-based discharge burnup limit. This limit is the consequence of the enrichment limit, currently 5 percent. which is imposed as a Nuclear Regulatory Commission (NRC) license condition on nuclear fuel fabrication plants. In addition, the calculation method now includes the capability for projecting future nuclear plant power upratings, consistent with many such recent plant uprates and the prospect of additional future uprates. Finally. this report summarizes the

  1. ABOUT TRACK CIRCUIT CALCULATION METHOD DEPENDENT ON FERROMAGNET PROPERTIES IN CONDITIONS OF TRACTION CURRENT NOISE INFLUENCE

    Directory of Open Access Journals (Sweden)

    A. Yu. Zhuravlev

    2016-04-01

    Full Text Available Purpose. The work is intended to investigate the electromagnetic processes in impedance bond in order to improve noise immunity of track circuits (TC for safe railway operation. Methodology. To achieve this purpose the methods of scientific analysis, mathematical modelling, experimental study, a large-scale simulation were used. Findings. The work examined the interference affecting the normal performance of track circuits. To a large extent, part of track circuit damages account for failures in track circuit equipment. Track circuit equipment is connected directly to the track line susceptible to traction current interference, which causes changes in its electrical characteristics and electromagnetic properties. Normal operability, performance of the main operating modes of the track circuit is determined by previous calculation of its performance and compilation of regulatory tables. The classical method for determination of track circuit parameters was analysed. The classical calculation method assumes representation of individual sections of the electrical track circuit using the quadripole network with known coefficients, usually in the A-form. Determining the coefficients of linear element circuit creates no metrological or mathematical difficulties. However, in circuits containing nonlinear ferromagnets (FM, obtaining the coefficients on the entire induction change range in the cores is quite a difficult task because the classical methods of idling (I and short circuit (SC are not acceptable. This leads to complicated methods for determining both the module and the arguments of quadripole network coefficients. Instead of the classical method, the work proposed the method for calculating the track circuit dependent on nonlinear properties of ferromagnets. Originality. The article examines a new approach to the calculation of TC taking into account the losses in ferromagnets (FM, without determination of equivalent circuit quadripole

  2. A Simplified Calculation Method for Non-stationary Random Seismic Response of Jacket Platform

    Institute of Scientific and Technical Information of China (English)

    HAN Xiao-shuang; MA Jun; ZHAO De-you; ZHOU Bo

    2008-01-01

    Jacket platform was simulated by non-uniform cantilever beam subjected to axial loading. Based on the Hamilton theory, the equation of bending motion was developed and solved by the classical Ritz method combined with the pseudo-excitation method (PEM) for non-stationary random response with non-classical damping. Usually, random response of this continuous structure is obtained by orthogonality of modes and some normal modes of the structure are needed, causing inconvenience in the analysis of the non-uniform beam whose normal modes are not easy to be obtained. However, if the PEM is extended to calculate random respouse by combining it with the classical Ritz method, the responses of non-uniform beam, such as auto-power spectral density (PSD) function, croes-PSD and higher spectral moments can be solved directly avoiding the calculation of normal modes. The numerical results show that the present method is effective and useful in aseismic design of platforms.

  3. A calculation method of cracking moment for the high strength concrete beams under pure torsion

    Indian Academy of Sciences (India)

    Metin Husem; Ertekin Oztekin; Selim Pul

    2011-02-01

    In this study, a method is given to calculate cracking moments of high strength reinforced concrete beams under the effect of pure torsion. To determine the method, both elastic and plastic theories were used. In this method, dimensions of beam cross-section were considered besides stirrup and longitudinal reinforcements. Two plain high strength concrete (without reinforcement) and eight high strength reinforced concrete beams which have two different cross-sections (150 × 250 mm and 150 × 300 mm) were produced to examine the validity of the proposed method. The predictions of the proposed approach for the calculation of the cracking moment of beams under pure torsion were compared with the experimental and the analytical results of previous studies. From these comparisons it is concluded that the predictions of the proposed equations for the cracking moment of plain and reinforced high strength concrete beams under pure torsion are closer to the experimental data compared to the analytical results of previous theories.

  4. A method for calculating turbulent boundary layers and losses in the flow channels of turbomachines

    Science.gov (United States)

    Schumann, Lawrence F.

    1987-01-01

    An interactive inviscid core flow-boundary layer method is presented for the calculation of turbomachine channel flows. For this method, a one-dimensional inviscid core flow is assumed. The end-wall and blade surface boundary layers are calculated using an integral entrainment method. The boundary layers are assumed to be collateral and thus are two-dimensional. The boundary layer equations are written in a streamline coordinate system. The streamwise velocity profiles are approximated by power law profiles. Compressibility is accounted for in the streamwise direction but not in the normal direction. Equations are derived for the special cases of conical and two-dimensional rectangular diffusers. For these cases, the assumptions of a one-dimensional core flow and collateral boundary layers are valid. Results using the method are compared with experiment and good quantitative agreement is obtained.

  5. Selection of an Optimal Method for Calculation of Correlated Color Temperature

    Directory of Open Access Journals (Sweden)

    Zheleznikova О. Ye.

    2016-04-01

    Full Text Available The article is dedicated to estimation of absolute errors in the methods of correlated color temperature (CCT calculation, namely the methods of Robertson (1968, McCamy (1992, Yoshi Ohno (2013, Javier Hernandez (1999 by means of the program developed by the authors. The work represents graphs of the absolute error distribution across the range of CCT definition. The authors outlined recommendations on use of the above methods in the colorimetric measurement practice based on the obtained results. The work also contains comparison of the “standard” variant of the Robertson’s method using 31 isotherms and the variants using more isotherms. It was demonstrated that with reduction of the period between isotherms the error tends to decrease. The calculation program was implemented with use of Python language and Numpy library, the tables were also computed by means of Python language and Scipy library, the graphs were plotted with the help of Matplotlib library.

  6. Calculation of compressible boundary layer flow about airfoils by a finite element/finite difference method

    Science.gov (United States)

    Strong, Stuart L.; Meade, Andrew J., Jr.

    1992-01-01

    Preliminary results are presented of a finite element/finite difference method (semidiscrete Galerkin method) used to calculate compressible boundary layer flow about airfoils, in which the group finite element scheme is applied to the Dorodnitsyn formulation of the boundary layer equations. The semidiscrete Galerkin (SDG) method promises to be fast, accurate and computationally efficient. The SDG method can also be applied to any smoothly connected airfoil shape without modification and possesses the potential capability of calculating boundary layer solutions beyond flow separation. Results are presented for low speed laminar flow past a circular cylinder and past a NACA 0012 airfoil at zero angle of attack at a Mach number of 0.5. Also shown are results for compressible flow past a flat plate for a Mach number range of 0 to 10 and results for incompressible turbulent flow past a flat plate. All numerical solutions assume an attached boundary layer.

  7. 40 CFR 86.166-12 - Method for calculating emissions due to air conditioning leakage.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Method for calculating emissions due to air conditioning leakage. 86.166-12 Section 86.166-12 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for...

  8. Development of Quantum Chemical Method to Calculate Half Maximal Inhibitory Concentration (IC50 ).

    Science.gov (United States)

    Bag, Arijit; Ghorai, Pradip Kr

    2016-05-01

    Till date theoretical calculation of the half maximal inhibitory concentration (IC50 ) of a compound is based on different Quantitative Structure Activity Relationship (QSAR) models which are empirical methods. By using the Cheng-Prusoff equation it may be possible to compute IC50 , but this will be computationally very expensive as it requires explicit calculation of binding free energy of an inhibitor with respective protein or enzyme. In this article, for the first time we report an ab initio method to compute IC50 of a compound based only on the inhibitor itself where the effect of the protein is reflected through a proportionality constant. By using basic enzyme inhibition kinetics and thermodynamic relations, we derive an expression of IC50 in terms of hydrophobicity, electric dipole moment (μ) and reactivity descriptor (ω) of an inhibitor. We implement this theory to compute IC50 of 15 HIV-1 capsid inhibitors and compared them with experimental results and available other QASR based empirical results. Calculated values using our method are in very good agreement with the experimental values compared to the values calculated using other methods.

  9. Numerical calculations for Heisenberg ferromagnet on honeycomb lattice using Oguchi’s method

    Energy Technology Data Exchange (ETDEWEB)

    Mert, Gülistan; Mert, H. Şevki [Department of Physics, Selcuk University, 42075, Konya (Turkey)

    2015-03-10

    Magnetic properties such as the magnetization, internal energy and specific heat for Heisenberg ferromagnet with spin - 1/2 on honeycomb lattice are have been calculated using Oguchi’s method. We have found that the magnetic specific heat exhibits two peaks.

  10. Calculating Two-Dimensional Spectra with the Mixed Quantum-Classical Ehrenfest Method

    NARCIS (Netherlands)

    van der Vegte, C. P.; Dijkstra, A. G.; Knoester, J.; Jansen, T. L. C.

    2013-01-01

    We present a mixed quantum-classical simulation approach to calculate two-dimensional spectra of coupled two-level electronic model systems. We include the change in potential energy of the classical system due to transitions in the quantum system using the Ehrenfest method. We study how this feedba

  11. FINITE DIFFERENCE METHOD FOR CALCULATING OF THE GAS FLOW IN A SUBSONIC GAS EJECTOR

    Directory of Open Access Journals (Sweden)

    Kostjantin Kapitanchuk

    2015-12-01

    Full Text Available Describe analysis of eddy viscosity actual mathematical models for numerical simulation a reversal gas flow in subsonic gas ejector. Considered advantages and disadvantages each of it. Proposed use method of finite elements for provides viscous gas flow calculation of gas ejectors.

  12. Implementation of a method for calculating output factors in air for irregular fields

    Energy Technology Data Exchange (ETDEWEB)

    Suero Rodrigo, M. A.; Marques Frguela, E.

    2011-07-01

    The concept of output factor in air (Sc) was introduced to characterize the variation of the incident photon fluence per unit monitor with different settings of the collimator. The objective of this work is the implementation of the method proposed by Zhu et al. (2004) to calculate both as FCSc Sc and verification with the measurements performed in mini-mannequin.

  13. Application of the Wave and Finite Element Method to Calculate Sound Transmission Through Cylindrical Structures

    Science.gov (United States)

    Kingan, Michael J.; Yang, Yi; Mace, Brian R.

    2016-09-01

    This paper concerns the prediction of sound transmission through a cylindrical structure. The problem considered is that of sound generated by a line source located exterior to a two-dimensional circular cylinder which produces sound waves which transmit through the cylinder to an internal medium. An analytical solution is presented for the case of sound transmission through a thin cylindrical shell, by modelling the shell response using the Flugge- Byrne-Lur'ye equations. This solution is then compared to calculations where the response of the cylinder is calculated using the Wave and Finite Element (WFE) method. The WFE method involves modelling a small segment of a structure using traditional finite element (FE) methods. The mass and stiffness matrices of the segment are then used to calculate the response of the structure to excitation by an acoustic field. The WFE approach for calculating sound transmission is validated by comparison with the analytic solution. Formulating analytic solutions for more complicated structures can be cumbersome whereas using a numerical technique, such as the WFE method, is relatively straightforward.

  14. Calculating magnetic shielding effectiveness for high-power dc comparator by magnetic circuit method

    Institute of Scientific and Technical Information of China (English)

    WANG Xiao-wei; REN Shi-yan

    2007-01-01

    Magnetic shielding is very important in the design of a high-power dc comparator. This paper addressed the application of magnetic circuit method to calculate the magnetic shielding effectiveness of high-power dc comparators when an external radial magnetic field is added. The mathematical relationship between the magnetic shielding effectiveness and the parameters of the magnetic shielding body were obtained. To verify the validity of the calculation method, we developped a procedure to measure the magnetic shielding effectiveness of the magnetic body by measuring the induction voltage of the detection winding instead of the magnetic intensity at a point in the magnetic shielding body, making the manipulation much easier. The result calculated with the magnetic circuit method turns out to be closer to the measured one compared with that calculated with a conventional algorithm proposed by Ren, suggesting that the magnetic circuit method is an applicable tool for estimating the toroidal cavity magnetic shielding effectiveness of a heavy current comparator when a radial magnetic field is added.

  15. Calculation methods for single-sided natural ventilation - simplified or detailed?

    DEFF Research Database (Denmark)

    Larsen, Tine Steen; Plesner, Christoffer; Leprince, Valérie

    2016-01-01

    ) airflow. The predicted airflow rate from the new and three existing design expressions are compared to full-scale wind tunnel measurements. The new proposed calculation method for single-sided ventilation shows results, limiting the overestimation of air flow rates at especially low driving pressures...

  16. Two methods for calculating regional cerebral blood flow from emission computed tomography of inert gas concentrations

    DEFF Research Database (Denmark)

    Kanno, I; Lassen, N A

    1979-01-01

    Two methods are described for calculation of regional cerebral blood flow from completed tomographic data of radioactive inert gas distribution in a slice of brain tissue. It is assumed that the tomographic picture gives the average inert gas concentration in each pixel over data collection periods...

  17. Calculation of the Centre of Gravity of the Cone Utilizing the Method of Archimedes

    Science.gov (United States)

    Magnaghi, C. P.; Assis, A. K. T.

    2012-01-01

    Archimedes calculated the centre of gravity of the cone but the proof of this theorem is not extant in his works. Knorr made a reconstruction of this proof utilizing geometrical arguments. This paper proves this theorem by means of a physical demonstration utilizing the law of the lever, and by adapting from Archimedes the method of mechanical…

  18. Method for Calculating Orbits of Near-Earth Asteroids Observed with Telescope OMT-800

    Science.gov (United States)

    Troianskyi, V. V.; Bazyey, A. A.; Kashuba, V. I.; Zhukov, V. V.; Korzhavin, S. A.

    One of the frame processing techniques, as well as an example of further use of the obtained results to calculate an asteroid's orbit are given in the present paper. The application of frame combination method to improve the telescope's limiting magnitude is described.

  19. A Simplified Method to Calculate the Wet Bulb Globe Temperature(WBGT)

    Institute of Scientific and Technical Information of China (English)

    ZHANG Lei; MENG Qing-lin; ZHAO Li-hua; ZHANG Yu-feng

    2009-01-01

    Wet bulb globe temperature(WBGT) is a comprehensive index obtained mainly from three pa-rameters:black globe temperature(Tg),wet bulb temperature(Tw),and dry bulb temperature(Ta).While in field observation and numerical simulation,black globe temperature and wet bulb temperature were not easy to obtain, so WBGT was difficult to measure and calculate directly.In order to solve this problem,air dry bulb temperature, wet bulb temperature,globe temperature,relative humidity,mean air velocity,solar radiation and wet bulb globe temperature were collected during the summer(July)in Guangzhou.Correlation analysis and regression analysis were used to get a simplified method to calculate WBGT.The results showed that dry bulb temperature,relative humidity,solar radiation and WBGT were interrelated to some extent.These three pa-rameters could be used in the simplified method to predict WBGT,and the linear correlation and precision of this model were high.In addition,we used the measured data to verify the simplified method,and the results showed that the error of the calculated value and the measured value was all below 5%,which means the simpli-fied calculating method is feasible and can be used in field observation and simulation research of urban thermal environment.

  20. Mixed first- and second-order transport method using domain decomposition techniques for reactor core calculations

    Energy Technology Data Exchange (ETDEWEB)

    Girardi, E.; Ruggieri, J.M. [CEA Cadarache, CEA/DEN/CAD/DER/SPRC/LEPH, 13 - Saint-Paul Lez Durance (France)

    2003-07-01

    The aim of this paper is to present the last developments made on a domain decomposition method applied to reactor core calculations. In this method, two kind of balance equation with two different numerical methods dealing with two different unknowns are coupled. In the first part the two balance transport equations (first order and second order one) are presented with the corresponding following numerical methods: Variational Nodal Method and Discrete Ordinate Nodal Method. In the second part, the Multi-Method/Multi-Domain algorithm is introduced by applying the Schwarz domain decomposition to the multigroup eigenvalue problem of the transport equation. The resulting algorithm is then provided. The projection operators used to coupled the two methods are detailed in the last part of the paper. Finally some preliminary numerical applications on benchmarks are given showing encouraging results. (authors)

  1. On the Calculation of Reactor Time Constants Using the Monte Carlo Method

    Energy Technology Data Exchange (ETDEWEB)

    Leppaenen, Jaakko [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT (Finland)

    2008-07-01

    Full-core reactor dynamics calculation involves the coupled modelling of thermal hydraulics and the time-dependent behaviour of core neutronics. The reactor time constants include prompt neutron lifetimes, neutron reproduction times, effective delayed neutron fractions and the corresponding decay constants, typically divided into six or eight precursor groups. The calculation of these parameters is traditionally carried out using deterministic lattice transport codes, which also produce the homogenised few-group constants needed for resolving the spatial dependence of neutron flux. In recent years, there has been a growing interest in the production of simulator input parameters using the stochastic Monte Carlo method, which has several advantages over deterministic transport calculation. This paper reviews the methodology used for the calculation of reactor time constants. The calculation techniques are put to practice using two codes, the PSG continuous-energy Monte Carlo reactor physics code and MORA, a new full-core Monte Carlo neutron transport code entirely based on homogenisation. Both codes are being developed at the VTT Technical Research Centre of Finland. The results are compared to other codes and experimental reference data in the CROCUS reactor kinetics benchmark calculation. (author)

  2. Use of a finite element method to calculate roll profiles for broad-strip mills

    Science.gov (United States)

    Garber, E. A.; Bolobanova, N. L.; Traino, A. I.

    2012-05-01

    A model is proposed to calculate the polishing profiling of rolls in broad-strip mills using a finite element method, and it is applied to develop new roll profiles. The finite element method is used to determine the polishing profiling of a roll with a complex shape, which substantially decreases the nonuniformity of reduction and drawing over the strip width. This profiling can be executed on numerical control roll grinders.

  3. A Simple Method for Calculating a Planet's Mean Annual Insolation by Latitude

    CERN Document Server

    Nadeau, Alice

    2015-01-01

    Common methods for calculating a planet's annual insolation by latitude have relied on computationally heavy or complex computer algorithms. In this paper, we show that mean annual insolation by latitude of a planet with obliquity angle $\\beta$ can be found by taking the definite integral of a function of longitude. This leads to faster computations and more accurate results. We discuss differences between our method and selected computational results for insolation found in the literature.

  4. A NEW METHOD TO CALCULATE COMPENSATION CURRENT IN PARALLEL ACTIVE POWER FILTER

    Directory of Open Access Journals (Sweden)

    Ahmet ALTINTAŞ

    2004-03-01

    Full Text Available Nowadays, active power filter plays an important role in reducing harmonic current and reactive power in power lines. The reliability and effectiveness of an active power filter depends basically on three characteristics. These are the modulation method, the design characteristics of the PWM modulator and the method implemented to generate compensation current. For the last one, there are many proposed methods. Most of them complicated and hence difficult to implement and adjust. In this study, a new method to calculate compensation current is improved and tested in single-phase parallel active power filter controlled by microcontroller. Experimental and simulation results are presented in the paper.

  5. Applying Upwind Godunov Methods to Calculate Two—Phase Mixture Conservation Laws

    Science.gov (United States)

    Zeidan, D.

    2010-09-01

    This paper continues a previous work (ICNAAM 2009; AIP Conference Proceedings, 1168, 601-604) on solving a hyperbolic conservative model for compressible gas—solid mixture flow using upwind Godunov methods. The numerical resolution of the model from Godunov first—order upwind and MUSCL—Hancock methods are reported. Both methods are based on the HLL Riemann solver in the framework of finite volume techniques. Calculation results are presented for a series of one—dimensional test problems. The results show that upwind Godunov methods are accurate and robust enough for two—phase mixture conservation laws.

  6. Prying Force Calculation and Design Method for T-shaped Tensile Connector with High Strength Bolt

    Institute of Scientific and Technical Information of China (English)

    Zhaoxin Hou; Guohong Huang; Chao Gong

    2015-01-01

    In order to establish the design method for T⁃shaped tensile connector with high strength bolt, the theoretical analysis is carried out. Firstly, it analyzes the performance of the connector and establishes prying force calculation model. Based on the model, prying force equation and function between bolt prying force and flange thickness is derived, and the min and max thickness requirement of flange plate under a certain tension load is then obtained. Finally, two simplified design methods of the connector are proposed, which are bolt pulling capacity method and flange plate bending capacity method.

  7. Coefficients calculation of the best linear method for recovery of bounded analytic functions in a circle

    Directory of Open Access Journals (Sweden)

    Ovchintsev Mikhail Petrovich

    2014-04-01

    Full Text Available This paper considers the problem of optimal recovery of bounded analytic functions. Namely, the values of these functions are determined at the point from their values at n given points lying in the unit circle. At first, we recall the necessary basic concepts: error of approximation by some method (which is a complex function of n complex variables, the best approximation method. Some theorems from the works of K.U. Osipenko are discussed: on the existence of a best linear approximation method and on calculating the error of best recovery method. After that we write out the formula for finding the error of best approximation method of bounded analytic functions in a unit circle. The lemma of conformal invariance of optimal recovery problem of these functions follows. We prove that under conformal mapping of the unit circle onto itself the error of the best approximation method before mapping coincides with the error of the best approximation method after mapping. It is also proved that a linear best method after conformal mapping coincides with the linear best restore method before this mapping (wherein the problem of optimal recovery after mapping is considered on the images of n given points lying in the original unit circle. Finally, we consider the problem of optimal recovery of bounded analytic functions in a circle in special case when the given points coincide with the vertices of a regular n-gon, and the point itself coincides with its center (which coincides with the origin. We prove that all the coefficients of the best linear method in this case are identical (wherein we apply the lemma of conformal invariance of optimal recovery problem of bounded analytic functions. The formulas for calculating these coefficients are given (for this purpose we write out an integral. The result is the smart, simple formulas for calculating the coefficients of the best linear approximation method for this particular case.

  8. Output calculation of electron therapy at extended SSD using an improved LBR method

    Energy Technology Data Exchange (ETDEWEB)

    Alkhatib, Hassaan A.; Gebreamlak, Wondesen T., E-mail: wondtassew@gmail.com; Wright, Ben W.; Neglia, William J. [South Carolina Oncology Associates, Columbia, South Carolina 29210 (United States); Tedeschi, David J. [Department of Physics and Astronomy, University of South Carolina, Columbia, South Carolina 29208 (United States); Mihailidis, Dimitris [CAMC Cancer Center and Alliance Oncology, Charleston, West Virginia 25304 (United States); Sobash, Philip T. [The Medical University of South Carolina, Charleston, South Carolina 29425 (United States); Fontenot, Jonas D. [Department of Physics, Mary Bird Perkins Cancer Center, Baton Rouge, Louisiana 70809 (United States)

    2015-02-15

    Purpose: To calculate the output factor (OPF) of any irregularly shaped electron beam at extended SSD. Methods: Circular cutouts were prepared from 2.0 cm diameter to the maximum possible size for 15 × 15 applicator cone. In addition, two irregular cutouts were prepared. For each cutout, percentage depth dose (PDD) at the standard SSD and doses at different SSD values were measured using 6, 9, 12, and 16 MeV electron beam energies on a Varian 2100C LINAC and the distance at which the central axis electron fluence becomes independent of cutout size was determined. The measurements were repeated with an ELEKTA Synergy LINAC using 14 × 14 applicator cone and electron beam energies of 6, 9, 12, and 15 MeV. The PDD measurements were performed using a scanning system and two diodes—one for the signal and the other a stationary reference outside the tank. The doses of the circular cutouts at different SSDs were measured using PTW 0.125 cm{sup 3} Semiflex ion-chamber and EDR2 films. The electron fluence was measured using EDR2 films. Results: For each circular cutout, the lateral buildup ratio (LBR) was calculated from the measured PDD curve using the open applicator cone as the reference field. The effective SSD (SSD{sub eff}) of each circular cutout was calculated from the measured doses at different SSD values. Using the LBR value and the radius of the circular cutout, the corresponding lateral spread parameter [σ{sub R}(z)] was calculated. Taking the cutout size dependence of σ{sub R}(z) into account, the PDD curves of the irregularly shaped cutouts at the standard SSD were calculated. Using the calculated PDD curve of the irregularly shaped cutout along with the LBR and SSD{sub eff} values of the circular cutouts, the output factor of the irregularly shaped cutout at extended SSD was calculated. Finally, both the calculated PDD curves and output factor values were compared with the measured values. Conclusions: The improved LBR method has been generalized to

  9. Calculation of phonon spectrum for noble metals by modified analytic embedded atom method (MAEAM)

    Institute of Scientific and Technical Information of China (English)

    Zhang Xiao-Jun; Zhang Jian-Min; Xu Ke-Wei

    2006-01-01

    In the harmonic approximation, the atomic force constants are derived and the phonon dispersion curves along four major symmetry directions [00ζ], [0ζζ], [ζζζ] and [0ζ1] (or △, ∑, A and Z in group-theory notation) are calculated for four noble metals Cu, Ag, Au and Pt by combining the modified analytic embedded atom method (MAEAM) with the theory of lattice dynamics. A good agreement between calculations and measurements, especially for lower frequencies,shows that the MAEAM provides a reasonable description of lattice dynamics in noble metals.

  10. The generalized sturmian method for calculating spectra of atoms and ions

    DEFF Research Database (Denmark)

    Avery, James Emil; Avery, John Scales

    2003-01-01

    The properties of generalized Sturmian basis sets are reviewed, and functions of this type are used to perform direct configuration interaction calculations on the spectra of atoms and ions. Singlet excited states calculated in this way show good agreement with experimentally measured spectra. When...... the generalized Sturmian method is applied to atoms, the configurations are constructed from hydrogenlike atomic orbitals with an effective charge which is characteristic of the configuration. Thus, orthonormality between the orbitals of different configurations cannot be assumed, and the generalized Slater...... is primarily outside the atom or ion, with only a small amplitude inside....

  11. Method for calculating the parameters of formation of hydrates from multicomponent gases

    Science.gov (United States)

    Zaporozhets, E. P.; Shostak, N. A.

    2016-09-01

    A model of hydrate formation in multicomponent gas-liquid water or ice systems including the exo- and endothermic processes has been suggested. Based on this model, a method for calculating the molecular and energy parameters such as the hydration number, amount of moles of hydrate, amount of gas and water in it, its density and molar mass, and the energy and rate of hydrate formation was developed. A comparison of the calculated and experimental values of the parameters revealed that the difference between them varied from 0 to 5.46%.

  12. Three-dimensional hypersonic rarefied flow calculations using direct simulation Monte Carlo method

    Science.gov (United States)

    Celenligil, M. Cevdet; Moss, James N.

    1993-01-01

    A summary of three-dimensional simulations on the hypersonic rarefied flows in an effort to understand the highly nonequilibrium flows about space vehicles entering the Earth's atmosphere for a realistic estimation of the aerothermal loads is presented. Calculations are performed using the direct simulation Monte Carlo method with a five-species reacting gas model, which accounts for rotational and vibrational internal energies. Results are obtained for the external flows about various bodies in the transitional flow regime. For the cases considered, convective heating, flowfield structure and overall aerodynamic coefficients are presented and comparisons are made with the available experimental data. The agreement between the calculated and measured results are very good.

  13. Preliminary Study on the Calculation Method of “Carbon Footprint”

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    At present, greenhouse effect has become a severe challenge of international society. In order to cope with this challenge, countries all over the world reached an agreement to develop low-carbon economy and create low-carbon society. As a new concept, "carbon footprint" emerged with the vigorous development of low-carbon economy, and its calculation method is related to the evaluation system of low carbon economy. In order to calculate "carbon footprint", "carbon subject" in the study was divided into ener...

  14. A 3-dimensional finite-difference method for calculating the dynamic coefficients of seals

    Science.gov (United States)

    Dietzen, F. J.; Nordmann, R.

    1989-01-01

    A method to calculate the dynamic coefficients of seals with arbitrary geometry is presented. The Navier-Stokes equations are used in conjunction with the k-e turbulence model to describe the turbulent flow. These equations are solved by a full 3-dimensional finite-difference procedure instead of the normally used perturbation analysis. The time dependence of the equations is introduced by working with a coordinate system rotating with the precession frequency of the shaft. The results of this theory are compared with coefficients calculated by a perturbation analysis and with experimental results.

  15. Thermal conductivity calculation of bio-aggregates based materials using finite and discrete element methods

    Science.gov (United States)

    Pennec, Fabienne; Alzina, Arnaud; Tessier-Doyen, Nicolas; Naitali, Benoit; Smith, David S.

    2012-11-01

    This work is about the calculation of thermal conductivity of insulating building materials made from plant particles. To determine the type of raw materials, the particle sizes or the volume fractions of plant and binder, a tool dedicated to calculate the thermal conductivity of heterogeneous materials has been developped, using the discrete element method to generate the volume element and the finite element method to calculate the homogenized properties. A 3D optical scanner has been used to capture plant particle shapes and convert them into a cluster of discret elements. These aggregates are initially randomly distributed but without any overlap, and then fall down in a container due to the gravity force and collide with neighbour particles according to a velocity Verlet algorithm. Once the RVE is built, the geometry is exported in the open-source Salome-Meca platform to be meshed. The calculation of the effective thermal conductivity of the heterogeneous volume is then performed using a homogenization technique, based on an energy method. To validate the numerical tool, thermal conductivity measurements have been performed on sunflower pith aggregates and on packed beds of the same particles. The experimental values have been compared satisfactorily with a batch of numerical simulations.

  16. Extreme Wind Calculation Applying Spectral Correction Method – Test and Validation

    DEFF Research Database (Denmark)

    Rathmann, Ole Steen; Hansen, Brian Ohrbeck; Larsén, Xiaoli Guo

    2016-01-01

    in Denmark, one site located in the Netherlands and one site located in the USA, comprising both on-shore and off-shore sites. The SC method was applied to 1-year measured wind data while the AM and POT methods were applied to long-term measured wind data. Further, the consistency of the SC method......We present a test and validation of extreme wind calculation applying the Spectral Correction (SC) method as implemented in a DTU Wind Condition Software. This method can do with a short-term(~1 year) local measured wind data series in combination with a long-term (10-20 years) reference modelled...... wind data series like CFSR and CFDDA reanalysis data for the site in question. The validation of the accuracy was performed by comparing with estimates by the traditional Annual Maxim a (AM) method and the Peak Over Threshold (POT) method, applied to measurements, for six sites: four sites located...

  17. Proposed method to calculate FRMAC intervention levels for the assessment of radiologically contaminated food and comparison of the proposed method to the U.S. FDA's method to calculate derived intervention levels

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, Terrence D.; Hunt, Brian D.

    2014-02-01

    This report reviews the method recommended by the U.S. Food and Drug Administration for calculating Derived Intervention Levels (DILs) and identifies potential improvements to the DIL calculation method to support more accurate ingestion pathway analyses and protective action decisions. Further, this report proposes an alternate method for use by the Federal Emergency Radiological Assessment Center (FRMAC) to calculate FRMAC Intervention Levels (FILs). The default approach of the FRMAC during an emergency response is to use the FDA recommended methods. However, FRMAC recommends implementing the FIL method because we believe it to be more technically accurate. FRMAC will only implement the FIL method when approved by the FDA representative on the Federal Advisory Team for Environment, Food, and Health.

  18. Application of convolution perfectly matched layer in finite element method calculation for 2D acoustic wave

    Institute of Scientific and Technical Information of China (English)

    LI Yifeng; LIN Zhiqi; LI Guofeng; WANG Yun

    2012-01-01

    A method was presented to extend the Convolution Perfectly Matched Layer (CPML), which bases on the complex coordinates transformation and complex frequency shifted stretched- coordinate metrics, to the 2D acoustic equation calculated with the method of Finite Element Method (FEM). This non-physical layer is used at the computational edge of a FEM as an Ab- sorbing Boundary Condition (ABC) to truncate unbounded media. In this paper, the CPML equations have been presented in frequency domain and in time domain, respectively, and the calculations have been realized in the FEM software of COMSOL. The main advantage of CPML over the classical PML layer is that it is based on the unsplit components of the wave field leading to a more stable, highly effective absorption and a more facility to realize. The results of numerical simulation demonstrate that CPML has better absorbability than PML and it absorbs the out~oin~ energy more effectivelv.

  19. The new high resolution method of Godunov`s type for 3D viscous flow calculations

    Energy Technology Data Exchange (ETDEWEB)

    Yershov, S.V.; Rusanov, A.V. [Ukranian National Academy of Sciences, Kahrkov (Ukraine)

    1996-12-31

    The numerical method is suggested for the calculations of the 3D viscous compressible flows described by the thin-layer Reynolds-averaged Navier-Stokes equations. The method is based on the Godunov`s finite-difference scheme and it uses the ENO reconstruction suggested by Harten to achieve the uniformly high-order accuracy. The computational efficiency is provided with the simplified multi grid approach and the implicit step written in {delta} -form. The turbulent effects are simulated with the Baldwin - Lomax turbulence model. The application package FlowER is developed to calculate the 3D turbulent flows within complex-shape channels. The numerical results for the 3D flow around a cylinder and through the complex-shaped channels show the accuracy and the reliability of the suggested method. (author)

  20. A study on calculation method for mechanical impedance of air spring

    Science.gov (United States)

    Changgeng, SHUAI; Penghui, LI; Rustighi, Emiliano

    2016-09-01

    This paper proposes an approximate analytic method of obtaining the mechanical impedance of air spring. The sound pressure distribution in cylindrical air spring is calculated based on the linear air wave theory. The influences of different boundary conditions on the acoustic pressure field distribution in cylindrical air spring are analysed. A 1-order ordinary differential matrix equation for the state vector of revolutionary shells under internal pressure is derived based on the non-moment theory of elastic thin shell. Referring to the transfer matrix method, a kind of expanded homogeneous capacity high precision integration method is introduced to solve the non-homogeneous matrix differential equation. Combined the solved stress field of shell with the calculated sound pressure field in air spring under the displacement harmonic excitation, the approximate analytical expression of the input and transfer mechanical impedance for the air spring can be achieved. The numerical simulation with the Comsol Multiphysics software verifies the correctness of theoretical analysis result.

  1. New method for calculating the Berry connection in atom-molecule systems

    Institute of Scientific and Technical Information of China (English)

    Cui Fu-Cheng; Wu Bao-Jun

    2012-01-01

    In the mean-field theory of atom molecule systems,where the bosonic atoms combine to form molecules,there is no usual U(1) symmetry,which presents an apparent hurdle for calculating the Berry connection in these systems.We develop a perturbation expansion method of Hannay's angle suitable for calculating the Berry curvature in the atom molecule systems.With this Berry curvature,the Berry connection can be computed naturally.We use a three-level atom-molecule system to illustrate our results.In particular,with this method,we compute the curvature for Hannay's angle analytically,and compare it to the Berry curvature obtained with the second-quantized model of the same system.An excellent agreement is found,indicating the validity of our method.

  2. An Accurate and Linear Scaling Method to Calculate Charge-Transfer Excitation Energies and Diabatic Couplings

    CERN Document Server

    Pavanello, Michele; Visscher, Lucas; Neugebauer, Johannes

    2012-01-01

    Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the Frozen Density Embedding formulation of subsystem Density-Functional Theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against Coupled-Cluster calculations and achieves chemical accuracy for the systems considered...

  3. Calculation method on shape finding of self-anchored suspension bridge with spatial cables

    Institute of Scientific and Technical Information of China (English)

    Yan HAN; Zhengqing CHEN; Shidong LUO; Shankui YANG

    2009-01-01

    Based on the spatial model, a reliable and accurate calculation method on the shape finding of self anchored suspension bridge with spatial cables was studiedin this paper. On the principle that the shape of the main cables between hangers is catenary, the iteration method of calculating the shapes of the spatial main cables under the load of hanger forces was deduced. The reasonable position of the saddle was determined according to the shape and the theoretical joint point of the main cables. The shapes of the main cables at completed cable stage werecalculated based on the unchanging principle of the zero-stress lengths of the main cables. By using a numerical method combining with the finite element method, one self-anchored suspension bridge with spatial cables was analyzed. The zero-stress length of the main cables, the position of the saddle, and the pre-offsetting of the saddle of the self-anchored suspension bridge were given. The reasonable shapes of the main cables at bridge completion stage and completed cable stage were presented. The results show that the shape-finding calculation method is effective and reliable.

  4. Computational methods for multiphase equilibrium and kinetics calculations for geochemical and reactive transport applications

    Science.gov (United States)

    Leal, Allan; Saar, Martin

    2016-04-01

    Computational methods for geochemical and reactive transport modeling are essential for the understanding of many natural and industrial processes. Most of these processes involve several phases and components, and quite often requires chemical equilibrium and kinetics calculations. We present an overview of novel methods for multiphase equilibrium calculations, based on both the Gibbs energy minimization (GEM) approach and on the solution of the law of mass-action (LMA) equations. We also employ kinetics calculations, assuming partial equilibrium (e.g., fluid species in equilibrium while minerals are in disequilibrium) using automatic time stepping to improve simulation efficiency and robustness. These methods are developed specifically for applications that are computationally expensive, such as reactive transport simulations. We show how efficient the new methods are, compared to other algorithms, and how easy it is to use them for geochemical modeling via a simple script language. All methods are available in Reaktoro, a unified open-source framework for modeling chemically reactive systems, which we also briefly describe.

  5. Semi-analytical method for calculating aeroelastic effect of profiled rod flying at high velocity

    Directory of Open Access Journals (Sweden)

    Hui-jun Ning

    2015-03-01

    Full Text Available The key technique of a kinetic energy rod (KER warhead is to control the flight attitude of rods. The rods are usually designed to different shapes. A new conceptual KER named profiled rod which has large L/D ratio is described in this paper. The elastic dynamic equations of this profiled rod flying at high velocity after detonation are set up on the basis of Euler-Bernoulli beam, and the aeroelastic deformation of profiled rod is calculated by semi-analytical method for calculating the vibration characteristics of variable cross-section beam. In addition, the aeroelastic deformation of the undeformed profiled rod and the aeroelastic deformation of deformed profiled rod which is caused by the detonation of explosive are simulated by computational fluid dynamic and finite element method (CFD/FEM, respectively. A satisfactory agreement of these two methods is obtained by the comparison of two methods. The results show that the semi-analytical method for calculating the vibration characteristics of variable cross-section beam is applied to analyze the aeroelastic deformation of profiled rod flying at high velocity.

  6. Applications of a General Finite-Difference Method for Calculating Bending Deformations of Solid Plates

    Science.gov (United States)

    Walton, William C., Jr.

    1960-01-01

    This paper reports the findings of an investigation of a finite - difference method directly applicable to calculating static or simple harmonic flexures of solid plates and potentially useful in other problems of structural analysis. The method, which was proposed in doctoral thesis by John C. Houbolt, is based on linear theory and incorporates the principle of minimum potential energy. Full realization of its advantages requires use of high-speed computing equipment. After a review of Houbolt's method, results of some applications are presented and discussed. The applications consisted of calculations of the natural modes and frequencies of several uniform-thickness cantilever plates and, as a special case of interest, calculations of the modes and frequencies of the uniform free-free beam. Computed frequencies and nodal patterns for the first five or six modes of each plate are compared with existing experiments, and those for one plate are compared with another approximate theory. Beam computations are compared with exact theory. On the basis of the comparisons it is concluded that the method is accurate and general in predicting plate flexures, and additional applications are suggested. An appendix is devoted t o computing procedures which evolved in the progress of the applications and which facilitate use of the method in conjunction with high-speed computing equipment.

  7. MRI-Based Computed Tomography Metal Artifact Correction Method for Improving Proton Range Calculation Accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Park, Peter C. [Department of Radiation Physics, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Schreibmann, Eduard; Roper, Justin; Elder, Eric; Crocker, Ian [Department of Radiation Oncology, Winship Cancer Institute of Emory University, Atlanta, Georgia (United States); Fox, Tim [Varian Medical Systems, Palo Alto, California (United States); Zhu, X. Ronald [Department of Radiation Physics, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Dong, Lei [Scripps Proton Therapy Center, San Diego, California (United States); Dhabaan, Anees, E-mail: anees.dhabaan@emory.edu [Department of Radiation Oncology, Winship Cancer Institute of Emory University, Atlanta, Georgia (United States)

    2015-03-15

    Purpose: Computed tomography (CT) artifacts can severely degrade dose calculation accuracy in proton therapy. Prompted by the recently increased popularity of magnetic resonance imaging (MRI) in the radiation therapy clinic, we developed an MRI-based CT artifact correction method for improving the accuracy of proton range calculations. Methods and Materials: The proposed method replaces corrupted CT data by mapping CT Hounsfield units (HU number) from a nearby artifact-free slice, using a coregistered MRI. MRI and CT volumetric images were registered with use of 3-dimensional (3D) deformable image registration (DIR). The registration was fine-tuned on a slice-by-slice basis by using 2D DIR. Based on the intensity of paired MRI pixel values and HU from an artifact-free slice, we performed a comprehensive analysis to predict the correct HU for the corrupted region. For a proof-of-concept validation, metal artifacts were simulated on a reference data set. Proton range was calculated using reference, artifactual, and corrected images to quantify the reduction in proton range error. The correction method was applied to 4 unique clinical cases. Results: The correction method resulted in substantial artifact reduction, both quantitatively and qualitatively. On respective simulated brain and head and neck CT images, the mean error was reduced from 495 and 370 HU to 108 and 92 HU after correction. Correspondingly, the absolute mean proton range errors of 2.4 cm and 1.7 cm were reduced to less than 2 mm in both cases. Conclusions: Our MRI-based CT artifact correction method can improve CT image quality and proton range calculation accuracy for patients with severe CT artifacts.

  8. SIMPLIFIED METHOD FOR CALCULATING CLOSING IN OF SWITCH-GEAR FLEXIBLE BUSES AT SHORT CIRCUIT BY IMPULSE OF ELECTRODYNAMIC FORCES

    OpenAIRE

    I. I. Sergey; E. G. Ponomarenko; W. M. Sammur; P. I. Klimkovich

    2005-01-01

    The paper contains description of a simplified method for calculating closing-in of switch-gear flexible buses at short circuit. The developed method is based on integral and energy principles of  mechanics. In order to increase accuracy of the calculation corrections factors are introduced in an explicit formula for calculation of maximum horizontal deviations. These factors have been obtained with the help of a computer program that realized numerical method for calculating closing-in of wi...

  9. The use of Coulomb-attenuated methods for the calculation of electronic circular dichroism spectra

    Science.gov (United States)

    Shcherbin, Dmitry; Ruud, Kenneth

    2008-06-01

    We explore different parametrizations of the Coulomb-attenuated method B3LYP functional (CAM-B3LYP) for the calculation of circular dichroism spectra. In order to assess the performance of the different parametrizations, the calculated results are compared with high-level coupled-cluster calculations at the CC2 and CCSD levels of theory. We demonstrate that it is not possible to directly obtain good results both for the excitation energies and the rotational strengths simultaneously for any of the parametrizations of the CAM-B3LYP functional that we have tested. However, using the lowest excited state as a reference instead of the ground state—that is, shifting uniformly all excitation energies—leads to one parametrization which performs better than the others and thus can be recommended for studies of circular dichroism using the CAM-B3LYP functional.

  10. The use of Coulomb-attenuated methods for the calculation of electronic circular dichroism spectra

    Energy Technology Data Exchange (ETDEWEB)

    Shcherbin, Dmitry [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromso, N-9037 Tromso (Norway); Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromso, N-9037 Tromso (Norway)], E-mail: kenneth.ruud@chem.uit.no

    2008-06-16

    We explore different parametrizations of the Coulomb-attenuated method B3LYP functional (CAM-B3LYP) for the calculation of circular dichroism spectra. In order to assess the performance of the different parametrizations, the calculated results are compared with high-level coupled-cluster calculations at the CC2 and CCSD levels of theory. We demonstrate that it is not possible to directly obtain good results both for the excitation energies and the rotational strengths simultaneously for any of the parametrizations of the CAM-B3LYP functional that we have tested. However, using the lowest excited state as a reference instead of the ground state-that is, shifting uniformly all excitation energies-leads to one parametrization which performs better than the others and thus can be recommended for studies of circular dichroism using the CAM-B3LYP functional.

  11. Calculation of Expectation Values of Operators in the Complex Scaling Method

    Science.gov (United States)

    Papadimitriou, G.

    2016-09-01

    The complex scaling method (CSM) provides with a way to obtain resonance parameters of particle unstable states by rotating the coordinates and momenta of the original Hamiltonian. It is convenient to use an L^2 integrable basis to resolve the complex rotated or complex scaled Hamiltonian H_{θ }, with θ being the angle of rotation in the complex energy plane. Within the CSM, resonance and scattering solutions have fall-off asymptotics. One of the consequences is that, expectation values of operators in a resonance or scattering complex scaled solution are calculated by complex rotating the operators. In this work we are exploring applications of the CSM on calculations of expectation values of quantum mechanical operators by using the regularized backrotation technique and calculating hence the expectation value using the unrotated operator. The test cases involve a schematic two-body Gaussian model and also applications using realistic interactions.

  12. Calculation of leaky Lamb waves with a semi-analytical finite element method.

    Science.gov (United States)

    Hayashi, Takahiro; Inoue, Daisuke

    2014-08-01

    A semi-analytical finite element method (SAFE) has been widely used for calculating dispersion curves and mode shapes of guided waves as well as transient waves in a bar like structures. Although guided wave inspection is often conducted for water-loaded plates and pipes, most of the SAFE techniques have not been extended to a plate with leaky media. This study describes leaky Lamb wave calculation with the SAFE. We formulated a new solution using a feature that a single Lamb wave mode generates a harmonic plane wave in leaky media. Dispersion curves obtained with the SAFE agreed well with the previous theoretical studies, which represents that the SAFE calculation was conducted with sufficient accuracy. Moreover, we discussed dispersion curves, attenuation curves, and displacement distributions for total transmission modes and leaky plate modes in a single side and both two side water-loaded plate.

  13. A Novel Method for Calculating Demand Not Served for Transmission Expansion Planning

    CERN Document Server

    Gupta, Neeraj; Kalra, Prem Kumar

    2011-01-01

    Restructuring of the power market introduced demand uncertainty in transmission expansion planning (TEP), which in turn also requires an accurate estimation of demand not served (DNS). Unfortunately, the graph theory based minimum-cut maximum-flow (MCMF) approach does not ensure that electrical laws are followed. Nor can it be used for calculating DNS at individual buses. In this letter, we propose a generalized load flow based methodology for calculating DNS. This procedure is able to calculate simultaneously generation not served (GNS) and wheeling loss (WL). Importantly, the procedure is able to incorporate the effect of I2R losses, excluded in MCMF approach. Case study on a 5-bus IEEE system shows the effectiveness of the proposed approach over existing method.

  14. Methodes de calcul des forces aerodynamiques pour les etudes des interactions aeroservoelastiques

    Science.gov (United States)

    Biskri, Djallel Eddine

    L'aeroservoelasticite est un domaine ou interagissent la structure flexible d'un avion, l'aerodynamique et la commande de vol. De son cote, la commande du vol considere l'avion comme une structure rigide et etudie l'influence du systeme de commande sur la dynamique de vol. Dans cette these, nous avons code trois nouvelles methodes d'approximation de forces aerodynamiques: Moindres carres corriges, Etat minimal corrige et Etats combines. Dans les deux premieres methodes, les erreurs d'approximation entre les forces aerodynamiques approximees par les methodes classiques et celles obtenues par les nouvelles methodes ont les memes formes analytiques que celles des forces aerodynamiques calculees par LS ou MS. Quant a la troisieme methode, celle-ci combine les formulations des forces approximees avec les methodes standards LS et MS. Les vitesses et frequences de battement et les temps d'executions calcules par les nouvelles methodes versus ceux calcules par les methodes classiques ont ete analyses.

  15. Calculation method of reflectance distributions for computer-generated holograms using the finite-difference time-domain method.

    Science.gov (United States)

    Ichikawa, Tsubasa; Sakamoto, Yuji; Subagyo, Agus; Sueoka, Kazuhisa

    2011-12-01

    The research on reflectance distributions in computer-generated holograms (CGHs) is particularly sparse, and the textures of materials are not expressed. Thus, we propose a method for calculating reflectance distributions in CGHs that uses the finite-difference time-domain method. In this method, reflected light from an uneven surface made on a computer is analyzed by finite-difference time-domain simulation, and the reflected light distribution is applied to the CGH as an object light. We report the relations between the surface roughness of the objects and the reflectance distributions, and show that the reflectance distributions are given to CGHs by imaging simulation.

  16. Validation of PM6 & PM7 semiempirical methods on polarizability calculations

    Energy Technology Data Exchange (ETDEWEB)

    Praveen, P. A.; Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Crystal Growth and Thin film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli-620024, Tamilnadu (India); Ramamurthi, K. [Department of Physics and Nanotechnology, Faculty of Engineering and Technology, SRM University, Kattankulathur – 603 203, Tamil Nadu (India)

    2015-06-24

    Modern semiempirical methods such as PM6 and PM7 are often used to explore the electronic structure dependent properties of molecules. In this work we report the evaluation of PM6 and PM7 methods towards linear and nonlinear optical polarizability calculations for different molecules and solid nanoclusters. The results are compared with reported experimental results as well as theoretical results from other high level theories for the same systems. It is found that both methods produce accurate results for small molecules and the accuracy increases with the increase in asymmetry of the medium sized organic molecules and accuracy reduces for solid nanoclusters.

  17. Calculation method for particle mean diameter and particle size distribution function under dependent model algorithm

    Institute of Scientific and Technical Information of China (English)

    Hong Tang; Xiaogang Sun; Guibin Yuan

    2007-01-01

    In total light scattering particle sizing technique, the relationship among Sauter mean diameter D32, mean extinction efficiency Q, and particle size distribution function is studied in order to inverse the mean diameter and particle size distribution simply. We propose a method which utilizes the mean extinction efficiency ratio at only two selected wavelengths to solve D32 and then to inverse the particle size distribution associated with (Q) and D32. Numerical simulation results show that the particle size distribution is inversed accurately with this method, and the number of wavelengths used is reduced to the greatest extent in the measurement range. The calculation method has the advantages of simplicity and rapidness.

  18. Seismic pattern treatment method through calculation of seismic density at grid nodes

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Analysis of seismic data and seismicity characteristics in China, we gave a method to deal with seismic patterns by calculating density at grid nodes. Number of earthquakes and epicenter distribution are considered comprehen-sively in this method. Effect of datum accuracy is stressed on parameter confirmation. Seismic patterns from this method are stable and can reflect seismic characteristics reliably. These seismic patterns are the base of quantita-tive analysis of seismicity. It can be applied in seismic tendency analysis and medium-long term earthquake pre-diction, earthquake countermeasure and risk mitigation.

  19. A Linear Scaling Three Dimensional Fragment Method for Large ScaleElectronic Structure Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Lin-Wang; Zhao, Zhengji; Meza, Juan

    2007-07-26

    We present a novel linear scaling ab initio total energyelectronic structure calculation method, which is simple to implement,easily to parallelize, and produces essentially thesame results as thedirect ab initio method, while it could be thousands of times faster.Using this method, we have studied the dipole moments of CdSe quantumdots, and found both significant bulk and surface contributions. The bulkdipole contribution cannot simply be estimated from the bulk spontaneouspolarization value by a proportional volume factor. Instead it has ageometry dependent screening effect. The dipole moment also produces astrong internal electric field which induces a strong electron holeseparation.

  20. Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Pitzner-Frydendahl, Henrik Frank; Buse, Mogens;

    2015-01-01

    methods, the original SOPPA method as well as SOPPA(CCSD) and RPA(D) in the calculation of vertical electronic excitation energies and oscillator strengths is investigated for a large benchmark set of 28 medium-size molecules with 139 singlet and 71 triplet excited states. The results are compared...... with corresponding CC3 and CASPT2 results from the literature for both the TZVP and the larger and more diffuse aug-cc-pVTZ basis set. In addition the results with the aug-cc-pVTZ basis set are compared to the theoretical best estimates for this benchmark set. We find that the original SOPPA method gives overall...

  1. Development of a software package for solid-angle calculations using the Monte Carlo method

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jie, E-mail: zhangjie_scu@163.com [Key Laboratory for Neutron Physics of Chinese Academy of Engineering Physics, Institute of Nuclear Physics and Chemistry, Mianyang 621900 (China); College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Chen, Xiulian [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Zhang, Changsheng [Key Laboratory for Neutron Physics of Chinese Academy of Engineering Physics, Institute of Nuclear Physics and Chemistry, Mianyang 621900 (China); Li, Gang [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Xu, Jiayun, E-mail: xjy@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Sun, Guangai [Key Laboratory for Neutron Physics of Chinese Academy of Engineering Physics, Institute of Nuclear Physics and Chemistry, Mianyang 621900 (China)

    2014-02-01

    Solid-angle calculations play an important role in the absolute calibration of radioactivity measurement systems and in the determination of the activity of radioactive sources, which are often complicated. In the present paper, a software package is developed to provide a convenient tool for solid-angle calculations in nuclear physics. The proposed software calculates solid angles using the Monte Carlo method, in which a new type of variance reduction technique was integrated. The package, developed under the environment of Microsoft Foundation Classes (MFC) in Microsoft Visual C{sup ++}, has a graphical user interface, in which, the visualization function is integrated in conjunction with OpenGL. One advantage of the proposed software package is that it can calculate the solid angle subtended by a detector with different geometric shapes (e.g., cylinder, square prism, regular triangular prism or regular hexagonal prism) to a point, circular or cylindrical source without any difficulty. The results obtained from the proposed software package were compared with those obtained from previous studies and calculated using Geant4. It shows that the proposed software package can produce accurate solid-angle values with a greater computation speed than Geant4. -- Highlights: • This software package (SAC) can give accurate solid-angle values. • SAC calculate solid angles using the Monte Carlo method and it has higher computation speed than Geant4. • A simple but effective variance reduction technique which was put forward by the authors has been applied in SAC. • A visualization function and a graphical user interface are also integrated in SAC.

  2. Intermolecular Interaction Potentials of CH4-Ne Complex Calculated with Local Density Approximation Methods

    Institute of Scientific and Technical Information of China (English)

    BAI Yu-Lin; CHENG Xiao-Hong; CHEN Xiang-Rong; YANG Xiang-Dong; ZHU Jun

    2004-01-01

    @@ The intermolecular interactions potentials for two configurations of CH4-Ne complex are calculated with local density approximation methods in the frame of density functional theory. It is found that the calculated potentials have two minima when the distance between the carbon atom of CH4 and the Ne atom takes R = 5.80 a.u.and 6.20a. u. for both the two configurations. For the edge configuration, the corresponding depth of the potential is 0.0669536 eV and 0.0671416 eV. For the face configuration, the corresponding depth of the potential is 0.0737956 eV and 0.0645506 eV. The global minimum occurs at R = 5.80 a.u. for the face configuration with a depth of the potential 0.0737956 eV. The depths of our calculation are in better agreement with the experimental data than the quantum chemical calculation approach, while the position of minimum potential for our calculation is underestimated.

  3. Nonlinear Optimization Method of Ship Floating Condition Calculation in Wave Based on Vector

    Institute of Scientific and Technical Information of China (English)

    丁宁; 余建星

    2014-01-01

    Ship-floating-condition-in-regular-waves-is-calculated.-New-equations-controlling-any-ship’s-floating-condition-are-proposed-by-use-of-the-vector-operation.-This-form-is-a-nonlinear-optimization-problem-which-can-be-solved-using-the-penalty-function-method-with-constant-coefficients.-And-the-solving-process-is-accelerated-by-dichotomy.-During-the-solving-process,-the-ship’s-displacement-and-buoyant-centre-have-been-calculated-by-the-integration-of-the-ship-surface-according-to-the-waterline.-The-ship-surface-is-described-using-an-accumulative-chord-length-theory-in-order-to-determine-the-displacement,-the-buoyancy-center-and-the-waterline.-The-draught-forming-the-waterline-at-each-station-can-be-found-out-by-calculating-the-intersection-of-the-ship-surface-and-the-wave-surface.-The-results-of-an-example-indicate-that-this-method-is-exact-and-efficient.-It-can-calculate-the-ship-floating-condition-in-regular-waves-as-well-as-simplify-the-calculation-and-improve-the-computational-efficiency-and-the-precision-of-results.

  4. Development of a software package for solid-angle calculations using the Monte Carlo method

    Science.gov (United States)

    Zhang, Jie; Chen, Xiulian; Zhang, Changsheng; Li, Gang; Xu, Jiayun; Sun, Guangai

    2014-02-01

    Solid-angle calculations play an important role in the absolute calibration of radioactivity measurement systems and in the determination of the activity of radioactive sources, which are often complicated. In the present paper, a software package is developed to provide a convenient tool for solid-angle calculations in nuclear physics. The proposed software calculates solid angles using the Monte Carlo method, in which a new type of variance reduction technique was integrated. The package, developed under the environment of Microsoft Foundation Classes (MFC) in Microsoft Visual C++, has a graphical user interface, in which, the visualization function is integrated in conjunction with OpenGL. One advantage of the proposed software package is that it can calculate the solid angle subtended by a detector with different geometric shapes (e.g., cylinder, square prism, regular triangular prism or regular hexagonal prism) to a point, circular or cylindrical source without any difficulty. The results obtained from the proposed software package were compared with those obtained from previous studies and calculated using Geant4. It shows that the proposed software package can produce accurate solid-angle values with a greater computation speed than Geant4.

  5. GPGCD, an Iterative Method for Calculating Approximate GCD of Univariate Polynomials, with the Complex Coefficients

    CERN Document Server

    Terui, Akira

    2010-01-01

    We present an extension of our GPGCD method, an iterative method for calculating approximate greatest common divisor (GCD) of univariate polynomials, to polynomials with the complex coefficients. For a given pair of polynomials and a degree, our algorithm finds a pair of polynomials which has a GCD of the given degree and whose coefficients are perturbed from those in the original inputs, making the perturbations as small as possible, along with the GCD. In our GPGCD method, the problem of approximate GCD is transfered to a constrained minimization problem, then solved with a so-called modified Newton method, which is a generalization of the gradient-projection method, by searching the solution iteratively. While our original method is designed for polynomials with the real coefficients, we extend it to accept polynomials with the complex coefficients in this paper.

  6. GPGCD, an Iterative Method for Calculating Approximate GCD, for Multiple Univariate Polynomials

    CERN Document Server

    Terui, Akira

    2010-01-01

    We present an extension of our GPGCD method, an iterative method for calculating approximate greatest common divisor (GCD) of univariate polynomials, to multiple polynomial inputs. For a given pair of polynomials and a degree, our algorithm finds a pair of polynomials which has a GCD of the given degree and whose coefficients are perturbed from those in the original inputs, making the perturbations as small as possible, along with the GCD. In our GPGCD method, the problem of approximate GCD is transferred to a constrained minimization problem, then solved with the so-called modified Newton method, which is a generalization of the gradient-projection method, by searching the solution iteratively. In this paper, we extend our method to accept more than two polynomials with the real coefficients as an input.

  7. GPGCD, an Iterative Method for Calculating Approximate GCD, for Multiple Univariate Polynomials

    Science.gov (United States)

    Terui, Akira

    We present an extension of our GPGCD method, an iterative method for calculating approximate greatest common divisor (GCD) of univariate polynomials, to multiple polynomial inputs. For a given pair of polynomials and a degree, our algorithm finds a pair of polynomials which has a GCD of the given degree and whose coefficients are perturbed from those in the original inputs, making the perturbations as small as possible, along with the GCD. In our GPGCD method, the problem of approximate GCD is transferred to a constrained minimization problem, then solved with the so-called modified Newton method, which is a generalization of the gradient-projection method, by searching the solution iteratively. In this paper, we extend our method to accept more than two polynomials with the real coefficients as an input.

  8. A User Differential Range Error Calculating Algorithm Based on Analytic Method

    Institute of Scientific and Technical Information of China (English)

    SHAO Bo; LIU Jiansheng; ZHAO Ruibin; HUANG Zhigang; LI Rui

    2011-01-01

    To enhance the integrity,an analytic method (AM) which has less execution time is proposed to calculate the user differential range error (UDRE) used by the user to detect the potential risk.An ephemeris and clock correction calculation method is introduced first.It shows that the most important thing of computing UDRE is to find the worst user location (WUL) in the service volume.Then,a UDRE algorithm using AM is described to solve this problem.By using the covariance matrix of the error vector,the searching of WUL is converted to an analytic geometry problem.The location of WUL can be obtained directly by mathematical derivation.Experiments are conducted to compare the performance between the proposed AM algorithm and the exhaustive grid search (EGS) method used in the master station.The results show that the correctness of the AM algorithm can be proved by the EGS method and the AM algorithm can reduce the calculation time by more than 90%.The computational complexity of this proposed algorithm is better than that of EGS.Thereby this algorithm is more suitable for computing UDRE at the master station.

  9. Method for Calculating CO2 Emissions from the Power Sector at the Provincial Level in China

    Institute of Scientific and Technical Information of China (English)

    MA Cui-Mei; GE Quan-Sheng

    2014-01-01

    Based on the detailed origins of each province’s electricity consumption, a new method for calculating CO2 emissions from the power sector at the provincial level in China is proposed. With this so-called consumer responsibility method, the emissions embodied in imported electricity are calculated with source-specific emission factors. Using the new method, we estimate CO2 emissions in 2005 and 2010. Compared with those derived from the producer responsibility method, the power exporters’ emissions decreased sharply. The emissions from the power sector in Inner Mongolia, the largest power exporter of China, decreased by 109 Mt in 2010. The value is equivalent to those from Shaanxi’s power production and Canada’s power and heat production. In contrast, the importers’ emissions increased substantially. The emissions from the power sector in Hebei, the largest power importer of China, increased by 74 Mt. Emissions of Beijing, increased by 60 Mt (320%), in 2010. Thus, we suggest that the Chinese government should take the emissions, as calculated from the consumption perspective, into account when formulating and assessing local CO2 emission reduction targets.

  10. Calculation of the Local Free Energy Landscape in the Restricted Region by the Modified Tomographic Method.

    Science.gov (United States)

    Chen, Changjun

    2016-03-31

    The free energy landscape is the most important information in the study of the reaction mechanisms of the molecules. However, it is difficult to calculate. In a large collective variable space, a molecule must take a long time to obtain the sufficient sampling during the simulation. To save the calculation quantity, decreasing the sampling region and constructing the local free energy landscape is required in practice. However, the restricted region in the collective variable space may have an irregular shape. Simply restricting one or more collective variables of the molecule cannot satisfy the requirement. In this paper, we propose a modified tomographic method to perform the simulation. First, it divides the restricted region by some hyperplanes and connects the centers of hyperplanes together by a curve. Second, it forces the molecule to sample on the curve and the hyperplanes in the simulation and calculates the free energy data on them. Finally, all the free energy data are combined together to form the local free energy landscape. Without consideration of the area outside the restricted region, this free energy calculation can be more efficient. By this method, one can further optimize the path quickly in the collective variable space.

  11. Analysis for the Effect of Spatial Discretization Method on AP1000 Reactor Pressure Vessel Fluence Calculation

    Directory of Open Access Journals (Sweden)

    Junxiao Zheng

    2016-01-01

    Full Text Available Maintaining the structural integrity of the reactor pressure vessel (RPV is a critical concern related to the safe operation of nuclear power plants. To estimate the structural integrity over the designed lifetime and to support analyses for a potential plant life extension, an accurate calculation of the fast neutron fluence (E>1.0 MeV or E>0.1 MeV at the RPV is significant. The discrete ordinates method is one of the main methods to solve such problems. During the calculation process, many factors will affect the results. In this paper, the deviations introduced by different differencing schemes and mesh sizes on the AP1000 RPV fast neutron fluence have been studied, which are based on new discrete ordinates code ARES. The analysis shows that the differencing scheme (diamond difference with or without linear zero fix-up, theta weighted, directional theta weighted, and exponential directional weighted introduces a deviation within 4%. The coarse mesh (4 × 4 cm meshes in XY plane leads to approximately 23.7% calculation deviation compared to those of refined mesh (1 × 1 cm meshes in XY plane. Comprehensive study on the deviation introduced by differencing scheme and mesh size has great significance for reasoned evaluation of RPV fast neutron fluence calculation results.

  12. Dose calculation method with 60-cobalt gamma rays in total body irradiation

    CERN Document Server

    Scaff, L A M

    2001-01-01

    Physical factors associated to total body irradiation using sup 6 sup 0 Co gamma rays beams, were studied in order to develop a calculation method of the dose distribution that could be reproduced in any radiotherapy center with good precision. The method is based on considering total body irradiation as a large and irregular field with heterogeneities. To calculate doses, or doses rates, of each area of interest (head, thorax, thigh, etc.), scattered radiation is determined. It was observed that if dismagnified fields were considered to calculate the scattered radiation, the resulting values could be applied on a projection to the real size to obtain the values for dose rate calculations. In a parallel work it was determined the variation of the dose rate in the air, for the distance of treatment, and for points out of the central axis. This confirm that the use of the inverse square law is not valid. An attenuation curve for a broad beam was also determined in order to allow the use of absorbers. In this wo...

  13. New data-driven method from 3D confocal microscopy for calculating phytoplankton cell biovolume.

    Science.gov (United States)

    Roselli, L; Paparella, F; Stanca, E; Basset, A

    2015-06-01

    Confocal laser scanner microscopy coupled with an image analysis system was used to directly determine the shape and calculate the biovolume of phytoplankton organisms by constructing 3D models of cells. The study was performed on Biceratium furca (Ehrenberg) Vanhoeffen, which is one of the most complex-shaped phytoplankton. Traditionally, biovolume is obtained from a standardized set of geometric models based on linear dimensions measured by light microscopy. However, especially in the case of complex-shaped cells, biovolume is affected by very large errors associated with the numerous manual measurements that this entails. We evaluate the accuracy of these traditional methods by comparing the results obtained using geometric models with direct biovolume measurement by image analysis. Our results show cell biovolume measurement based on decomposition into simple geometrical shapes can be highly inaccurate. Although we assume that the most accurate cell shape is obtained by 3D direct biovolume measurement, which is based on voxel counting, the intrinsic uncertainty of this method is explored and assessed. Finally, we implement a data-driven formula-based approach to the calculation of biovolume of this complex-shaped organism. On one hand, the model is obtained from 3D direct calculation. On the other hand, it is based on just two linear dimensions which can easily be measured by hand. This approach has already been used for investigating the complexities of morphology and for determining the 3D structure of cells. It could also represent a novel way to generalize scaling laws for biovolume calculation.

  14. WAKE GEOMETRY CALCULATIONS FOR TILT-ROTOR USING VISCOUS VORTEX METHOD

    Institute of Scientific and Technical Information of China (English)

    魏鹏; 史勇杰; 徐国华

    2013-01-01

    A tilt-rotor unsteady flow analytical method has been developed based upon viscous vortex-particle meth-od .In this method ,the vorticity field is divided into small assembled vortex particles .Vortex motion and diffusion are obtained by solving the velocity-vorticity-formed incompressible Navier-Stokes equations using a grid-free La-grangian simulation method .Generation of the newly vortex particles is calculated by using the Weissinger-L lifting surface model .Furthermore ,in order to significantly improve computational efficiency ,a fast multiple method (FMM) is introduced into the calculation of induced velocity and its gradient .Finally ,the joint vertical experimen-tal (JVX) tilt-rotor is taken as numerical examples to analyze .The wake geometry and downwash are investigated for both hover and airplane modes .The proposed method for tilt-rotor flow analysis is verified by comparing its re-sults with those available measured data .Comparison indicates that the current method can accurately capture the complicated tilt-rotor wake variation and be suitable for aerodynamic interaction simulation in complex environ-ments .Additionally ,the aerodynamic interactional characteristics of dual-rotor wake are discussed in different ro-tor distance .Results show that there are significant differences on interactional characteristics between hover mode and airplane mode .

  15. On Calculation Methods and Results for Straight Cylindrical Roller Bearing Deflection, Stiffness, and Stress

    Science.gov (United States)

    Krantz, Timothy L.

    2011-01-01

    The purpose of this study was to assess some calculation methods for quantifying the relationships of bearing geometry, material properties, load, deflection, stiffness, and stress. The scope of the work was limited to two-dimensional modeling of straight cylindrical roller bearings. Preparations for studies of dynamic response of bearings with damaged surfaces motivated this work. Studies were selected to exercise and build confidence in the numerical tools. Three calculation methods were used in this work. Two of the methods were numerical solutions of the Hertz contact approach. The third method used was a combined finite element surface integral method. Example calculations were done for a single roller loaded between an inner and outer raceway for code verification. Next, a bearing with 13 rollers and all-steel construction was used as an example to do additional code verification, including an assessment of the leading order of accuracy of the finite element and surface integral method. Results from that study show that the method is at least first-order accurate. Those results also show that the contact grid refinement has a more significant influence on precision as compared to the finite element grid refinement. To explore the influence of material properties, the 13-roller bearing was modeled as made from Nitinol 60, a material with very different properties from steel and showing some potential for bearing applications. The codes were exercised to compare contact areas and stress levels for steel and Nitinol 60 bearings operating at equivalent power density. As a step toward modeling the dynamic response of bearings having surface damage, static analyses were completed to simulate a bearing with a spall or similar damage.

  16. Method to calculate fatigue fracture life of control fissure in perilous rock

    Institute of Scientific and Technical Information of China (English)

    CHEN Hong-kai; TANG Hong-mei

    2007-01-01

    Rupture and safety of perilous rock are dominated by control fissure behind perilous rock block. Based on model-Ⅰ and model-Ⅱ stress strength factors of control fissure under acting of weight of perilous rock, water pressure in control fissure and earthquake forces, method to calculate critical linking length of control fissure is established. Take water pressure in control fissure as a variable periodic load, and abide by P-M criterion, when control fissure is filled with water, establish the method to calculate fatigue fracture life of control fissure in critical status by contributing value of stress strength factor stemming from water pressure of control fissure in Paris's fatigue equation. Further, parameters(C and m)of sandstone with quartz and feldspar in the area of the Three Gorges Reservoir of China are obtained by fatigue fracture testing.

  17. High order aberrations calculation of a hexapole corrector using a differential algebra method

    Science.gov (United States)

    Kang, Yongfeng; Liu, Xing; Zhao, Jingyi; Tang, Tiantong

    2017-02-01

    A differential algebraic (DA) method is proved as an unusual and effective tool in numerical analysis. It implements conveniently differentiation up to arbitrary high order, based on the nonstandard analysis. In this paper, the differential algebra (DA) method has been employed to compute the high order aberrations up to the fifth order of a practical hexapole corrector including round lenses and hexapole lenses. The program has been developed and tested as well. The electro-magnetic fields of arbitrary point are obtained by local analytic expressions, then field potentials are transformed into new forms which can be operated in the DA calculation. In this paper, the geometric and chromatic aberrations up to fifth order of a practical hexapole corrector system are calculated by the developed program.

  18. Calculation of the Gluon Distribution Function Using Alternative Method for the Proton Structure Function

    Institute of Scientific and Technical Information of China (English)

    N. Ghahramany; G.R. Boroun

    2003-01-01

    A calculation of the proton structure function F2(x,Q2) is reported with an approximation method that relates the reduced cross section derivative and the F2(x, Q2) scaling violation at low x by using quadratic form for the structure function. This quadratic form approximation method can be used to determine the structure function F2 (x, Q2)from the HERA reduced cross section data taken at low x. This new approach can determine the structure functions F2(x,Q2) with reasonable precision even for low x values which have not been investigated. We observe that the Q2 dependence is quadratic over the full kinematic covered range. To test the validity of our new determined structure functions, wefind the gluon distribution function in the leading order approximation with our new calculation for the structure functions and compare them with the QCD parton distribution functions.

  19. Calculation of the Gluon Distribution Function Using Alternative Method for the Proton Structure Function

    Institute of Scientific and Technical Information of China (English)

    N.Ghahramany; G.R.Boroun

    2003-01-01

    A calculation of the proton structure function F2(x,Q2) is reported with an approximation method that relates the reduced cross section derivative and the F2(x, Q2) scaling violation at low x by using quadratic form for the structure function. This quadratic form approximation method can be used to determine the structure function F2 (x, Q2) from the HERA reduced cross section data taken at low x. This new approach can determine the structure functions F2(x,Q2) with reasonable precision even for low x values which have not been investigated. We observe that the Q2 dependence is quadratic over the full kinematic covered range. To test the validity of our new determined structure functions, we find the gluon distribution function in the leading order approximation with our new calculation for the structure functions and compare them with the QCD parton distribution functions.

  20. Modified Bean Model and FEM Method Combined for Persistent Current Calculation in Superconducting Coils

    CERN Document Server

    Völlinger, Christine; Russenschuck, Stephan

    2001-01-01

    Field variations in the LHC superconducting magnets, e. g. during the ramping of the magnets, induce magnetization currents in the superconducting material, the so-called persistent currents that do not decay but persist due to the lack of resistivity. This paper describes a semi-analytical hysteresis model for hard superconductors, which has been developed for the computation of the total field errors arising from persistent currents. Since the superconducting coil is surrounded by a ferromagnetic yoke structure, the persistent current model is combined with the finite element method (FEM), as the non-linear yoke can only be calculated numerically. The used finite element method is based on a reduced vector potential formulation that avoids the meshing of the coil while calculating the part of the field arising from the source currents by means of the Biot-Savart Law. The combination allows to determine persistent current induced field errors as function of the excitation and for arbitrarily shaped iron yoke...

  1. Probabilistic Requirements (Partial) Verification Methods Best Practices Improvement. Variables Acceptance Sampling Calculators: Empirical Testing. Volume 2

    Science.gov (United States)

    Johnson, Kenneth L.; White, K. Preston, Jr.

    2012-01-01

    The NASA Engineering and Safety Center was requested to improve on the Best Practices document produced for the NESC assessment, Verification of Probabilistic Requirements for the Constellation Program, by giving a recommended procedure for using acceptance sampling by variables techniques as an alternative to the potentially resource-intensive acceptance sampling by attributes method given in the document. In this paper, the results of empirical tests intended to assess the accuracy of acceptance sampling plan calculators implemented for six variable distributions are presented.

  2. MATHEMATICAL METHODS USED FOR CALCULATE INSURANCE PREMIUM TO THE PROPERTY INSURANCE

    Directory of Open Access Journals (Sweden)

    MARIAN-LUCIAN ACHIM

    2012-01-01

    Full Text Available The most important task of the actuarial department is to provide well grounded charges for specialized departments and sales departments subsequently. For the stringency of these calculations will depend in future the economic performance of an insurer, by a mathematical estimate as close to reality existence.The method presented in this work is a quantitative one, later charges will support certain adjustments in terms of quality.

  3. The Second—Order Imaginary Plane Method and Its Calculation Accuracy

    Institute of Scientific and Technical Information of China (English)

    DongPeng; ChenXiaodong; 等

    1997-01-01

    In this paper,the basic principles and mathematical process of the Second-order Imaginary Plane Method(IPM) for modeling the radiative haet transfer are analysed and proved in detail.Through the numerical computation for the real process of the radiative heat transfer using the Second-order IPM,the previous IPM(the first-order),the Analytic Method and the Zone Method,it was shown that the calculation accuracy of the Second-order IPM is much higher than that of the first-order IPM,and its demand to computer capacity and time consuming is much lower than that of of the Zone Method.It is verified that the method is more effective and has a higher accuracy for modeling radiative heat transfer in engineering.

  4. Efficient Method for Calculating the Composite Stiffness of Parabolic Leaf Springs with Variable Stiffness for Vehicle Rear Suspension

    OpenAIRE

    Wen-ku Shi; Cheng Liu; Zhi-yong Chen; Wei He; Qing-hua Zu

    2016-01-01

    The composite stiffness of parabolic leaf springs with variable stiffness is difficult to calculate using traditional integral equations. Numerical integration or FEA may be used but will require computer-aided software and long calculation times. An efficient method for calculating the composite stiffness of parabolic leaf springs with variable stiffness is developed and evaluated to reduce the complexity of calculation and shorten the calculation time. A simplified model for double-leaf spr...

  5. Weather data for simplified energy calculation methods. Volume IV. United States: WYEC data

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 23 cities using Weather Year for Energy Calculations (WYEC) source weather data. Considerable overlap is present in cities (21) covered by both the TRY and WYEC data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  6. Improvement of Cost Calculation in Constructions – Application of the Standard Cost Method

    Directory of Open Access Journals (Sweden)

    Adela Breuer

    2010-12-01

    Full Text Available Grace to the analysis of several commercial companies effectively performed “on the field”, we could remark the necessity to change the method of cost calculation, our motivation being related to the simplification of calculations and the reduction of the labour volume, but especially the necessity to know in due time the deviations occurred as well as the causes having led to their apparition. The importance of knowing the deviations in due time results from the very basic characteristics of the constructions execution, i.e. the performance of works during several budgetary years, which leads to the modifications of prices and materials, the introduction of new technologies, and to the performance of open air activities, making the execution of constructions works be influenced by the atmospheric condition. But the most important aspect of knowing the deviations is the correct determination of expenses and their inscribing in the corresponding period, in view of determining the result of the budgetary year. Our proposal for the enhancement of the method of cost calculation in constructions is the application of the standard cost method in the variant “single standard cost”.

  7. Practical methods for a direct calculation of Delta I=1/2 K to pipi Decay

    Science.gov (United States)

    Liu, Q.

    A direct calculation of the complex $\\Delta I=1/2$ kaon decay amplitude is notoriously difficult because of the presence of disconnected graphs. Here we describe and demonstrate two practical methods to defeat this problem: the EigCG algorithm and the use of time-separated $\\pi-\\pi$ sources. With a fine tuned EigCG implementation for domain wall fermions, the calculation of light quark propagators is accelerated by a factor of 5-10 on a variety of lattices from small ($16^3\\times32\\times16$) to large ($32^3\\times64\\times32$). In addition, a substantial reduction in noise is achieved by separating each of the sources for the two pions in the time direction by 2-5 lattice spacings. These methods are combined in a calculation of $K$ to $\\pi\\pi$ threshold decay using a $24^3\\times64\\times16$ volume and 329 MeV pions. These methods result in non-zero signals for both Re($A_0$) and Im($A_0$) from 138 gauge configurations.

  8. Efficient method for calculating electronic bound states in arbitrary one-dimensional quantum wells

    Science.gov (United States)

    de Aquino, V. M.; Iwamoto, H.; Dias, I. F. L.; Laureto, E.; da Silva, M. A. T.; da Silva, E. C. F.; Quivy, A. A.

    2017-01-01

    In the present paper it is demonstrated that the bound electronic states of multiple quantum wells structures may be calculated very efficiently by expanding their eigenstates in terms of the eigenfunctions of a particle in a box. The bound states of single and multiple symmetric or nonsymmetric wells are calculated within the single-band effective mass approximation. A comparison is then made between the results obtained for simple cases with exact calculations. We also apply our approach to a GaAs/AlGaAs multiple quantum well structure composed of forty periods each one with seven quantum wells. The method may be very useful to design narrow band quantum cascade photodetectors to work without applied bias in a photovoltaic mode. With the presented method the effects of a electric field may also be easily included which is very important if one desires study quantum well structures for application to the development of quantum cascade lasers. The advantages of the method are also presented.

  9. RESEARCH ON THE METHOD AND CALCULATION OF THE NEW SLENDER-SHIP WAVE RESISTANCE THEORY

    Institute of Scientific and Technical Information of China (English)

    Han Duan-feng

    2003-01-01

    Analyses of the new slender-ship theory of wave resistance were made and corresponding calculation methods were proposed. Based on these theoretical methods, the calculations of wave resistance of near surface submersible, Wigley hull and vertical/canted strut SWATHs were conducted.In the single and double integral parts of Green's function, the method of special function expansion and Chebyshev polynomial approach were adopted respectively. The formulas for zeroth-first-and second-order wave-making resistance were derived. In a towing tank, the calm water resistance experiment of SWATH model ASW-2 with canted strut was conducted and researched.The influences of waterline integral term, the surface mesh number, element node number, range of the integration and truncation of special function expansions on velocity potential and numerical results of resistance were investigated, and the difference between the zeroth-order and first-order wave resistance was analyzed. The theoretical calculation results agree well with the well-found model experimental results.

  10. Theories and calculation methods for regional objective ET(evapotranspiration):Applications

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The regional objective ET(evapotranspiration) is defined as the quantity of water that could be con-sumed in a particular region.It varies with the water conditions and economic development stages in the region.It is also constrained by the requirement of benign environment cycle.At the same time,it must meet the demands of sustainable economic growth and the construction of harmony society.Objective ET based water resources distribution will replace the conventional method,which empha-sizes the balance between the water demand and the water supply.It puts focus on the reasonable water consumption instead of the forecasted water demand,which is usually greater than the actual one.In this paper,we calculated the objective ET of 2010 year level in Tianjin by an analysis-integra-tion-assessment method.Objective ET can be classified into two parts:controllable ET and uncontrol-lable ET.Controllable ET includes the ET from irrigation land and the ET from resident land,among which the former can be calculated with soil moisture model and evapotranspiration model,while the latter can be calculated by water use ration and water consumption rate.The uncontrollable ET can be calculated with the distributed hydrological model and the remote sensing monitoring model.The two models can be mutually calibrated.In this paper,eight schemes are put forward based on different portfolios of water resources.The objective ET of each scheme was calculated and the results were assessed and analyzed.Finally,an optimal scheme was recommended.

  11. Calculation of chemical potentials of chain molecules by the incremental gauge cell method

    Science.gov (United States)

    Rasmussen, Christopher J.; Vishnyakov, Aleksey; Neimark, Alexander V.

    2011-12-01

    The gauge cell Monte Carlo method is extended to calculations of the incremental chemical potentials and free energies of linear chain molecules. The method was applied to chains of Lennard-Jones beads with stiff harmonic bonds up to 500 monomers in length. We show that the suggested method quantitatively reproduces the modified Widom particle insertion method of Kumar et al. [S. K. Kumar, I. Szleifer, and A. Z. Panagiotopoulos, Phys. Rev. Lett. 66(22), 2935 (1991)], 10.1103/PhysRevLett.66.2935, and is by an order of magnitude more efficient for long chains in terms of the computational time required for the same accuracy of chemical potential calculations. The chain increment ansatz, which suggests that the incremental chemical potential is independent of the chain length, was tested at different temperatures. We confirmed that the ansatz holds only for coils above the θ temperature. Special attention is paid to the effects of the magnitude of adsorption potential and temperature on the behavior of single chains in confinements that are comparable in size with the free chain radius of gyration. At sufficiently low temperatures, the dependence of the incremental chemical potential on the chain length in wetting pores is superficially similar to a capillary condensation isotherm, reflecting monolayer formation following by pore volume filling, as the chain length increases. We find that the incremental gauge cell method is an accurate and efficient technique for calculations of the free energies of chain molecules in bulk systems and nanoconfinements alike. The suggested method may find practical applications, such as modeling polymer partitioning on porous substrates and dynamics of chain translocation into nanopores.

  12. Band structure calculation of GaSe-based nanostructures using empirical pseudopotential method

    Science.gov (United States)

    Osadchy, A. V.; Volotovskiy, S. G.; Obraztsova, E. D.; Savin, V. V.; Golovashkin, D. L.

    2016-08-01

    In this paper we present the results of band structure computer simulation of GaSe- based nanostructures using the empirical pseudopotential method. Calculations were performed using a specially developed software that allows performing simulations using cluster computing. Application of this method significantly reduces the demands on computing resources compared to traditional approaches based on ab-initio techniques and provides receiving the adequate comparable results. The use of cluster computing allows to obtain information for structures that require an explicit account of a significant number of atoms, such as quantum dots and quantum pillars.

  13. Dynamic mathematical model and numerical calculation method on spontaneous combustion of loose coal

    Institute of Scientific and Technical Information of China (English)

    WEN Hu(文虎)

    2003-01-01

    Through the experiment of coal spontaneous combustion and relationship particle size with oxidation character of loose coal, some calculation formula of characteristic parameters is got in the process of coal spontaneous combustion. According to these theories of porous medium hydrodynamics, mass transfer and heat transfer, mathematical models of air leak field, oxygen concentration field and temperature field are set up. Through experimental and theoretical analysis, 3-D dynamic mathematical model of coal spontaneous combustion is set up. The method of ascertaining boundary condition of model is analyzed, and finite difference method is adopted to solve 2-D mathematical model.

  14. Dynamic circuit and Fourier series methods for moment calculation in electrodynamic repulsive magnetic levitation systems

    Science.gov (United States)

    Knowles, R.

    1982-07-01

    A general theory of moments for electrodynamic magnetic levitation systems has been developed using double Fourier series and dynamic circuit principles. Both employ Parseval's theorem using either wave constant derivatives or the polar waveconstant principle of the Fourier-Bessel/double Fourier series equivalence. A method for calculating angular derivatives of moments and forces is explained, and for all of these methods comparisons are made with experimental results obtained for single and split rail configurations. Extensions of dynamic circuit theory for tilted nonflat and circular magnets are also explained.

  15. Evaluation of single-sided natural ventilation using a simplified and fair calculation method

    DEFF Research Database (Denmark)

    Plesner, Christoffer; Larsen, Tine Steen; Leprince, Valérie

    2016-01-01

    The overall objective of this paper is to evaluate design expressions for single-sided ventilation and find the most suitable that would in average perform well, while reducing the risk of overestimating air flows in individual cases. The design expression needs to be both simple and fair to fit...... the scope of standards and regulations in the best way. This has been done by comparing design expressions using parameter variations, comparison to wind-tunnel experiments and full-scale outdoor measurements. A modified De Gids & Phaff method showed to be a simplified and fair calculation method that would...

  16. Practical methods of calculating the autoclaves’ thermal stresses at building industry

    Directory of Open Access Journals (Sweden)

    A. A. Kozhukhar

    2015-06-01

    Full Text Available The study is devoted to elaboration of a simplified method for calculation of stresses arising in the autoclaves’ casing in the case of nonlinear distribution of temperature field on its cross section height. The piece-nonlinear function is applied to the temperature field of autoclaves as maximally corresponding to experimental results. On the basis of flat sections hypothesis an expression for temperature stresses is obtained. The analysis of their distribution by the autoclave casing height is made. The control test confirmed a sufficient efficiency of the offered method for engineering needs.

  17. Calculation of nuclear reactivity using the generalised Adams-Bashforth-Moulton predictor corrector method

    Energy Technology Data Exchange (ETDEWEB)

    Suescun-Diaz, Daniel [Surcolombiana Univ., Neiva (Colombia). Groupo de Fisica Teorica; Narvaez-Paredes, Mauricio [Javeriana Univ., Cali (Colombia). Groupo de Matematica y Estadistica Aplicada Pontificia; Lozano-Parada, Jamie H. [Univ. del Valle, Cali (Colombia). Dept. de Ingenieria

    2016-03-15

    In this paper, the generalisation of the 4th-order Adams-Bashforth-Moulton predictor-corrector method is proposed to numerically solve the point kinetic equations of the nuclear reactivity calculations without using the nuclear power history. Due to the nature of the point kinetic equations, different predictor modifiers are used in order improve the precision of the approximations obtained. The results obtained with the prediction formulas and generalised corrections improve the precision when compared with previous methods and are valid for various forms of nuclear power and different time steps.

  18. Integral method for the calculation of Hawking radiation in dispersive media. II. Asymmetric asymptotics.

    Science.gov (United States)

    Robertson, Scott

    2014-11-01

    Analog gravity experiments make feasible the realization of black hole space-times in a laboratory setting and the observational verification of Hawking radiation. Since such analog systems are typically dominated by dispersion, efficient techniques for calculating the predicted Hawking spectrum in the presence of strong dispersion are required. In the preceding paper, an integral method in Fourier space is proposed for stationary 1+1-dimensional backgrounds which are asymptotically symmetric. Here, this method is generalized to backgrounds which are different in the asymptotic regions to the left and right of the scattering region.

  19. Use of photoelectron laser phase determination method for attosecond measurements with quantum-mechanical calculations

    Institute of Scientific and Technical Information of China (English)

    Ge Yu-Cheng

    2008-01-01

    This paper calculates quantum-mechanically the photoelectron energy spectra excited by attosecond x-rays in the presence of a few-cycle laser. A photoelectron laser phase determination method is used for precise measurements of the pulse natural properties of x-ray intensity and the instantaneous frequency profiles. As a direct procedure without any previous pulse profile assumptions and time-resolved measurements as well as data fitting analysis, this method can be used to improve the time resolutions of attosecond timing and measurements with metrological precision. The measurement range is half of a laser optical cycle.

  20. Calculation method of ship collision force on bridge using artificial neural network

    Institute of Scientific and Technical Information of China (English)

    Wei FAN; Wan-cheng YUAN; Qi-wu FAN

    2008-01-01

    Ship collision on bridge is a dynamic process featured by high nonlinearity and instantaneity. Calculating ship-bridge collision force typically involves either the use of design-specification-stipulated equivalent static load, or the use of finite element method (FEM) which is more time-consuming and requires supercomputing resources. In this paper, we proposed an alternative approach that combines FEM with artificial neural network (ANN). The radial basis function neural network (RBFNN) employed for calculating the impact force in consideration of ship-bridge collision mechanics. With ship velocity and mass as the input vectors and ship collision force as the output vector, the neural networks for different network parameters are trained by the learning samples obtained from finite element simulation results. The error analyses of the learning and testing samples show that the proposed RBFNN is accurate enough to calculate ship-bridge collision force. The input-output relationship obtained by the RBFNN is essentially consistent with the typical empirical formulae. Finally, a special toolbox is developed for calculation efficiency in application using MATLAB software.

  1. METHODS OF CALCULATING DISCOUNT AND CAPITALIZATION RATES TO VALUATING REAL ESTATE IN ACCORDANCE WITH MARKETS CONDITIONS

    Directory of Open Access Journals (Sweden)

    L. Chubuk

    2013-09-01

    Full Text Available The existent methods of determination of the discount and capitalization rates for the valuation of the profitable real estate are analyzed from point of their prevalence, advantages and lacks of application. The alternative methods for setting the discount rates are selected (Galasyuk’s method. There are resulted recommendations in relation to approaching calculated size of the discount and capitalization rates to the real market information. In particular, expansion of the use of actually attained level of the expected return on the invested capital is offered. The actual values of capitalization rates on the office, commercial, ware-house real estate market in the capital of Ukraine are examined for period from 2008 to 2013, which evidence of considerable changeability of investment return indexes. There is confirmed the necessity of increasing the size of corrections in supply price to the level 18-20% for calculation of the capitalization rates after the method of market extraction. There is also propagates the account of additional market factors at the construction of recapitalization rates after the Invud’s method: annual growth (decline of leasing rates that are obtained from the profit real estate object; annual growth (decline of cost of the real property object; a percent of diminishing of cost of the real estate object in result of all kinds of depreciation (when residual value differ from a zero.

  2. An analytical method for calculating torsional constants for arbitrary complicated thin-walled cross-sections

    Institute of Scientific and Technical Information of China (English)

    DU Baisong; GE Yaojun; ZHOU Zheng

    2007-01-01

    In this paper,an analytical method is proposed for calculating torsional constants for complicated thin-walled cross-sections with arbitrary closed or open rib stiffeners.This method uses the free torsional theory and the principle of virtual work to build goveming equilibrium equations involving unknown shear flows and twisting rate.After changing the form of the equations and combining these two unknowns into one,torsional function,which is a function of shear flow,shear modulus,and twisting rate,is included in the governing equations as only one of the unknowns.All the torsional functions can be easily obtained from these homogeneous linear equations,and torsional constants can be easily obtained from the torsional functions.The advantage of this method is that we can easily and directly obtain torsional constants from the torsional functions,rather than the more sophisticated shear flow and twisting rate calculations.Finally,a complicated thin-walled cross-section is given as a valid numerical example to verify the analytical method,which is much more accurate and simpler than the traditional finite element method.

  3. A new solution method for the inverse kinematic joint velocity calculations of redundant manipulators

    Energy Technology Data Exchange (ETDEWEB)

    Pin, F.G.; Belmans, P.F.R.; Culioli, J.C.; Carlson, D.D.; Tulloch, F.A.

    1994-12-31

    A new analytical method to resolve underspecified systems of algebraic equations is presented. The method is referred to as the Full Space Parameterization (FSP) method and utilizes easily- calculated projected solution vectors to generate the entire space of solutions of the underspecified system. Analytic parameterizations for both the space of solutions and the null space of the system reduce the determination of a task-requirement-based single solution to a m {minus} n dimensional problem, where m {minus} n is the degree of underspecification, or degree of redundancy, of the system. An analytical solution is presented to directly calculate the least-norm solution from the parameterized space and the results are compared to solutions of the standard pseudo-inverse algorithm which embodies the (least-norm) Moore-Penrose generalized inverse. Application of the new solution method to a variety of systems and task requirements are discussed and sample results using four-link planar manipulators with one or two degrees of redundancy and a seven degree-of-freedom manipulator with one or four degrees of redundancy are presented to illustrate the efficiency of the new FSP method and algorithm.

  4. An efficient method for calculation of dynamic logarithmic gains in biochemical systems theory.

    Science.gov (United States)

    Shiraishi, Fumihide; Hatoh, Yuji; Irie, Toshinori

    2005-05-07

    Biochemical systems theory (BST) characterizes a given biochemical system based on the logarithmic gains, rate-constant sensitivities and kinetic-order sensitivities defined at a steady state. This paper describes an efficient method for calculation of the time courses of logarithmic gains, i.e. dynamic logarithmic gains L(Xi, Xj; t), which expresses the percentage change in the value of a dependent variable Xi at a time t in response to an infinitesimal percentage change in the value of an independent variable Xj at t=0. In this method, one first recasts the ordinary differential equations for the dependent variables into an exact canonical nonlinear representation (GMA system) through appropriate transformations of variables. Owing to the structured mathematical form of this representation, the recast system can be fully described by a set of numeric parameters, and the differential equations for the dynamic logarithmic gains can be set up automatically without resource to computer algebra. A simple general-purpose computer program can thus be written that requires only the relevant numeric parameters as input to calculate the time courses of the variables and of the dynamic logarithmic gains for both concentrations and fluxes. Unlike other methods, the proposed method does not require to derive any expression for the partial differentiation of flux expressions with respect to each independent variable. The proposed method has been applied to two kinds of reaction models to elucidate its usefulness.

  5. A new method for calculating the scattered field by an arbitrary cross-sectional conducting cylinder

    Science.gov (United States)

    Ragheb, Hassan A.

    2011-04-01

    Scattering of a plane electromagnetic wave by an arbitrary cross-sectional perfectly conducting cylinder must be performed numerically. This article aims to present a new approach for addressing this problem, which is based on simulating the arbitrary cross-sectional perfectly conducting cylinder by perfectly conducting strips of narrow width. The problem is then turned out to calculate the scattered electromagnetic field from N conducting strips. The technique of solving such a problem uses an asymptotic method. This method is based on an approximate technique introduced by Karp and Russek (Karp, S.N., and Russek, A. (1956), 'Diffraction by a Wide Slit', Journal of Applied Physics, 27, 886-894.) for solving scattering by wide slit. The method is applied here for calculating the scattered field in the far zone for E-polarised incident waves (transverse magnetic (TM) with respect to z-axis) on a perfectly conducting cylinder with arbitrary cross-section. Numerical examples are introduced first for comparison to show the accuracy of the method. Other examples for well-known scattering by conducting cylinders are then introduced followed by new examples which can only be solved by numerical methods.

  6. Benchmarking DFT methods with small basis sets for the calculation of halogen-bond strengths.

    Science.gov (United States)

    Siiskonen, Antti; Priimagi, Arri

    2017-02-01

    In recent years, halogen bonding has become an important design tool in crystal engineering, supramolecular chemistry and biosciences. The fundamentals of halogen bonding have been studied extensively with high-accuracy computational methods. Due to its non-covalency, the use of triple-zeta (or larger) basis sets is often recommended when studying halogen bonding. However, in the large systems often encountered in supramolecular chemistry and biosciences, large basis sets can make the calculations far too slow. Therefore, small basis sets, which would combine high computational speed and high accuracy, are in great demand. This study focuses on comparing how well density functional theory (DFT) methods employing small, double-zeta basis sets can estimate halogen-bond strengths. Several methods with triple-zeta basis sets are included for comparison. Altogether, 46 DFT methods were tested using two data sets of 18 and 33 halogen-bonded complexes for which the complexation energies have been previously calculated with the high-accuracy CCSD(T)/CBS method. The DGDZVP basis set performed far better than other double-zeta basis sets, and it even outperformed the triple-zeta basis sets. Due to its small size, it is well-suited to studying halogen bonding in large systems.

  7. Improvement of Power Flow Calculation with Optimization Factor Based on Current Injection Method

    Directory of Open Access Journals (Sweden)

    Lei Wang

    2014-01-01

    Full Text Available This paper presents an improvement in power flow calculation based on current injection method by introducing optimization factor. In the method proposed by this paper, the PQ buses are represented by current mismatches while the PV buses are represented by power mismatches. It is different from the representations in conventional current injection power flow equations. By using the combined power and current injection mismatches method, the number of the equations required can be decreased to only one for each PV bus. The optimization factor is used to improve the iteration process and to ensure the effectiveness of the improved method proposed when the system is ill-conditioned. To verify the effectiveness of the method, the IEEE test systems are tested by conventional current injection method and the improved method proposed separately. Then the results are compared. The comparisons show that the optimization factor improves the convergence character effectively, especially that when the system is at high loading level and R/X ratio, the iteration number is one or two times less than the conventional current injection method. When the overloading condition of the system is serious, the iteration number in this paper appears 4 times less than the conventional current injection method.

  8. Numerical-analytical method of calculating insulated double-glazed units deflection under climatic (internal load

    Directory of Open Access Journals (Sweden)

    Plotnikov Aleksandr Aleksandrovich

    Full Text Available Glass unit consists of glasses hermetically-united together. The cavity of an insulating glass unit contains a fixed volume of air (gas. In the process of production regular air with atmospheric pressure and temperature is sealed inside a glass unit. During operation the atmospheric pressure is constantly changing, but the pressure inside remains constant (at a constant temperature. A change of temperature or of the external air pressure results in a pressure difference and therefore in a load on the glass panes. The action may exceed the usual load considerably. This pressure effects the glasses of the unit, deforms them, lowers the thermotechnical properties of glass units and can lead to their destruction. The action of the inside pressure can be seen all around as convex and concaved glasses, which destroys the architectural look of buildings. It is obvious that it is incorrect to calculate thin glass plates on such a load only by classical methods of strength of materials theory. In this case we need a special calculation method. The effects of a change in temperature, altitude or meteorological pressure are easily covered by the definition of an isochore pressure. This is necessary, to determine the change of pressure due to the temperature induced gas expansion in the cavity of the insulating glass according to the ideal gas law. After the integration of the analytical plate solution and the ideal gas law, the final pressure states can easily be calculated by coupling the change of volume and the change of pressure.

  9. Calculation method for the seasonal performance of heat pump compact units and validation. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Wemhoener, C.; Dott, R.; Afjei, Th. [University of Applied Sciences Northwestern Switzerland, Institute of Energy in Buildings, Muttenz (Switzerland); Huber, H.; Helfenfinger, D.; Keller, P.; Furter, R. [University of Applied Sciences Lucerne (HTA), Test center HLKS, Horw (Switzerland)

    2007-02-15

    This comprehensive final report for the Swiss Federal Office of Energy (SFOE) takes a look at compact heat pump units that have been developed for the heating of low energy consumption houses built to MINERGIE or MINERGIE-P standards. These units, which combine the functions of space heating, domestic hot water preparation and ventilation in one unit are described. A testing procedure developed at the University of Applied Science in Lucerne, Switzerland, using a test rig for the measurement of the seasonal performance factor (SPF) is described. A calculation method based on temperature classes for the calculation of the SPF of combined heat pump systems for space heating and domestic hot water preparation that was developed by the Institute of Energy in Buildings at the University of Applied Sciences Northwestern Switzerland is examined. Two pilot plants allowing detailed field monitoring of two compact units are described. One pilot plant installed in a single-family house built to MINERGIE standard in Gelterkinden, Switzerland, provided data on a compact unit. These results of measurements made on this and a further installation in a MINERGIE-P ultra-low energy consumption house in Zeiningen, Switzerland, are presented and discussed. Calculation methods, including exergy considerations are reviewed and their validation is discussed.

  10. A variational method for density functional theory calculations on metallic systems with thousands of atoms.

    Science.gov (United States)

    Ruiz-Serrano, Álvaro; Skylaris, Chris-Kriton

    2013-08-07

    A new method for finite-temperature density functional theory calculations which significantly increases the number of atoms that can be simulated in metallic systems is presented. A self-consistent, direct minimization technique is used to obtain the Helmholtz free energy of the electronic system, described in terms of a set of non-orthogonal, localized functions which are optimized in situ using a periodic-sinc basis set, equivalent to plane waves. Most parts of the calculation, including the demanding operation of building the Hamiltonian matrix, have a computational cost that scales linearly with the number of atoms in the system. Also, this approach ensures that the Hamiltonian matrix has a minimal size, which reduces the computational overhead due to diagonalization, a cubic-scaling operation that is still required. Large basis set accuracy is retained via the optimization of the localized functions. This method allows accurate simulations of entire metallic nanostructures, demonstrated with calculations on a supercell of bulk copper with 500 atoms and on gold nanoparticles with up to 2057 atoms.

  11. Raw material consumption of the European Union--concept, calculation method, and results.

    Science.gov (United States)

    Schoer, Karl; Weinzettel, Jan; Kovanda, Jan; Giegrich, Jürgen; Lauwigi, Christoph

    2012-08-21

    This article presents the concept, calculation method, and first results of the "Raw Material Consumption" (RMC) economy-wide material flow indicator for the European Union (EU). The RMC measures the final domestic consumption of products in terms of raw material equivalents (RME), i.e. raw materials used in the complete production chain of consumed products. We employed the hybrid input-output life cycle assessment method to calculate RMC. We first developed a highly disaggregated environmentally extended mixed unit input output table and then applied life cycle inventory data for imported products without appropriate representation of production within the domestic economy. Lastly, we treated capital formation as intermediate consumption. Our results show that services, often considered as a solution for dematerialization, account for a significant part of EU raw material consumption, which emphasizes the need to focus on the full production chains and dematerialization of services. Comparison of the EU's RMC with its domestic extraction shows that the EU is nearly self-sufficient in biomass and nonmetallic minerals but extremely dependent on direct and indirect imports of fossil energy carriers and metal ores. This implies an export of environmental burden related to extraction and primary processing of these materials to the rest of the world. Our results demonstrate that internalizing capital formation has significant influence on the calculated RMC.

  12. Calculation method of composite foundation sedimentation of grouting pile with cover plate under embankment load

    Institute of Scientific and Technical Information of China (English)

    顾长存; 洪昌地; 马文彬; 李雪平

    2008-01-01

    Grouting pile is a new soft soil foundation treatment method with characteristics such as no vibration, no noise, no soil compaction, light construction machines and quick construction velocity and so on. At present, study on reinforcement mechanism and design calculation method of composite foundation of grouting pile is initially started without design specifications, so it is usually required to draw on design specifications of stump pile when designing composite foundation of grouting pile while grouting pile has its characteristics and difference although reinforcement mechanisms and construction processes of two types of piles are similar. Sedimentation formula of composite foundation of grouting pile with cover plate is educed and a suitable deformation mode is proposed by aiming to deformation characteristics of composite foundation of grouting pile with cover plate under embankment load on basis of relevant sedimentation theories of composite foundation by combination of characteristics of composite foundation of grouting pile. The sedimentation calculation formula of grouting pile with cover plate under embankment load is educed according to balance relation of force and displacement coordination conditions by elastic theory and sedimentation calculation model established is validated by sedimentation monitoring documents of one expressway in China.

  13. A New Calculation Method of Dynamic Kill Fluid Density Variation during Deep Water Drilling

    Directory of Open Access Journals (Sweden)

    Honghai Fan

    2017-01-01

    Full Text Available There are plenty of uncertainties and enormous challenges in deep water drilling due to complicated shallow flow and deep strata of high temperature and pressure. This paper investigates density of dynamic kill fluid and optimum density during the kill operation process in which dynamic kill process can be divided into two stages, that is, dynamic stable stage and static stable stage. The dynamic kill fluid consists of a single liquid phase and different solid phases. In addition, liquid phase is a mixture of water and oil. Therefore, a new method in calculating the temperature and pressure field of deep water wellbore is proposed. The paper calculates the changing trend of kill fluid density under different temperature and pressure by means of superposition method, nonlinear regression, and segment processing technique. By employing the improved model of kill fluid density, deep water kill operation in a well is investigated. By comparison, the calculated density results are in line with the field data. The model proposed in this paper proves to be satisfactory in optimizing dynamic kill operations to ensure the safety in deep water.

  14. Examples of the effects of different averaging methods on carbon dioxide fluxes calculated using the eddy correlation method

    Directory of Open Access Journals (Sweden)

    A. D. Culf

    2000-01-01

    Full Text Available Three hours of high frequency vertical windspeed and carbon dioxide concentration data recorded over tropical forest in Brazil are presented and discussed in relation to various detrending techniques used in eddy correlation analysis. Running means with time constants 100, 1000 and 1875s and a 30 minute linear detrend, as commonly used to determine fluxes, have been calculated for each case study and are presented. It is shown that, for different trends in the background concentration of carbon dioxide, the different methods can lead to the calculation of radically different fluxes over an hourly period. The examples emphasise the need for caution when interpreting eddy correlation derived fluxes especially for short term process studies. Keywords: Eddy covariance; detrending; running mean; carbon dioxide; tropical forest

  15. Calculation Method and Distribution Characteristics of Fracture Hydraulic Aperture from Field Experiments in Fractured Granite Area

    Science.gov (United States)

    Cao, Yang-Bing; Feng, Xia-Ting; Yan, E.-Chuan; Chen, Gang; Lü, Fei-fei; Ji, Hui-bin; Song, Kuang-Yin

    2016-05-01

    Knowledge of the fracture hydraulic aperture and its relation to the mechanical aperture and normal stress is urgently needed in engineering construction and analytical research at the engineering field scale. A new method based on the in situ borehole camera measurement and borehole water-pressure test is proposed for the calculation of the fracture hydraulic aperture. This method comprises six steps. The first step is to obtain the equivalent hydraulic conductivity of the test section from borehole water-pressure tests. The second step is a tentative calculation to obtain the qualitative relation between the reduction coefficient and the mechanical aperture obtained from borehole camera measurements. The third step is to choose the preliminary reduction coefficient for obtaining the initial hydraulic aperture. The remaining three steps are to optimize, using the genetic algorithm, the hydraulic apertures of fractures with high uncertainty. The method is then applied to a fractured granite engineering area whose purpose is the construction of an underground water-sealed storage cavern for liquefied petroleum gas. The probability distribution characteristics of the hydraulic aperture, the relationship between the hydraulic aperture and the mechanical aperture, the hydraulic aperture and the normal stress, and the differences between altered fractures and fresh fractures are all analyzed. Based on the effects of the engineering applications, the method is proved to be feasible and reliable. More importantly, the results of the hydraulic aperture obtained in this paper are different from those results elicited from laboratory tests, and the reasons are discussed in the paper.

  16. A Modified Method for Calculating Notch-Root Stresses and Strains under Multiaxial Loading

    Directory of Open Access Journals (Sweden)

    Liu Jianhui

    2014-04-01

    Full Text Available Based on the analysis of notch-root stresses and strains in bodies subjected to multiaxial loading, a quantitative relationship between Neuber rule and the equivalent strain energy density method is found. In the case of elastic range, both Neuber rule and the equivalent strain energy density method get the same estimation of the local stresses and strains. Whereas in the case of elastic-plastic range, Neuber rule generally overestimates the notch-root stresses and strains and the equivalent strain energy density method tends to underestimate the notch-root stresses and strains. A modified method is presented considering the material constants of elastic-plastic Poisson's ratio, elastic modulus, shear elastic modulus, and yield stress. The essence of the modified model is to add a modified coefficient to Neuber rule, which makes the calculated results tend to be more precise and reveals its energy meaning. This approach considers the elastic-plastic properties of the material itself and avoids the blindness of selecting coefficient values. Finally the calculation results using the modified model are validated with the experimental data.

  17. Proper orthogonal decomposition and wavelet methods for noise reduction in particle-based transport calculations

    Science.gov (United States)

    Nguyen van Ye, Romain; Del-Castillo-Negrete, Diego; Spong, D.; Hirshman, S.; Farge, M.

    2008-11-01

    A limitation of particle-based transport calculations is the noise due to limited statistical sampling. Thus, a key element for the success of these calculations is the development of efficient denoising methods. Here we discuss denoising techniques based on Proper Orthogonal Decomposition (POD) and Wavelet Decomposition (WD). The goal is the reconstruction of smooth (denoised) particle distribution functions from discrete particle data obtained from Monte Carlo simulations. In 2-D, the POD method is based on low rank truncations of the singular value decomposition of the data. For 3-D we propose the use of a generalized low rank approximation of matrices technique. The WD denoising is based on the thresholding of empirical wavelet coefficients [Donoho et al., 1996]. The methods are illustrated and tested with Monte-Carlo particle simulation data of plasma collisional relaxation including pitch angle and energy scattering. As an application we consider guiding-center transport with collisions in a magnetically confined plasma in toroidal geometry. The proposed noise reduction methods allow to achieve high levels of smoothness in the particle distribution function using significantly less particles in the computations.

  18. Monte Carlo Method for Determining Earthquake Recurrence Parameters from Short Paleoseismic Catalogs: Example Calculations for California

    Science.gov (United States)

    Parsons, Tom

    2008-01-01

    Paleoearthquake observations often lack enough events at a given site to directly define a probability density function (PDF) for earthquake recurrence. Sites with fewer than 10-15 intervals do not provide enough information to reliably determine the shape of the PDF using standard maximum-likelihood techniques [e.g., Ellsworth et al., 1999]. In this paper I present a method that attempts to fit wide ranges of distribution parameters to short paleoseismic series. From repeated Monte Carlo draws, it becomes possible to quantitatively estimate most likely recurrence PDF parameters, and a ranked distribution of parameters is returned that can be used to assess uncertainties in hazard calculations. In tests on short synthetic earthquake series, the method gives results that cluster around the mean of the input distribution, whereas maximum likelihood methods return the sample means [e.g., NIST/SEMATECH, 2006]. For short series (fewer than 10 intervals), sample means tend to reflect the median of an asymmetric recurrence distribution, possibly leading to an overestimate of the hazard should they be used in probability calculations. Therefore a Monte Carlo approach may be useful for assessing recurrence from limited paleoearthquake records. Further, the degree of functional dependence among parameters like mean recurrence interval and coefficient of variation can be established. The method is described for use with time-independent and time-dependent PDF?s, and results from 19 paleoseismic sequences on strike-slip faults throughout the state of California are given.

  19. RESEARCH ON METHOD TO CALCULATE VELOCITIES OF SOLID PHASE AND LIQUID PHASE IN DEBRIS FLOW

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Velocities of solid phase and liquid phase in debris flow are one key problem to research on impact and abrasion mechanism of banks and control structures under action of debris flow. Debris flow was simplified as two-phase liquid composed of solid phase with the same diameter particles and liquid phase with the same mechanical features. Assume debris flow was one-dimension two-phase liquid moving to one direction,then general equations of velocities of solid phase and liquid phase were founded in twophase theory. Methods to calculate average pressures, volume forces and surface forces of debris flow control volume were established. Specially, surface forces were ascertained using Bingham's rheology equation of liquid phase and Bagnold's testing results about interaction between particles of solid phase. Proportional coefficient of velocities between liquid phase and solid phase was put forward, meanwhile, divergent coefficient between theoretical velocity and real velocity of solid phase was provided too. To state succinctly before, method to calculate velocities of solid phase and liquid phase was obtained through solution to general equations. The method is suitable for both viscous debris flow and thin debris flow. Additionally, velocities every phase can be identified through analyzing deposits in-situ after occurring of debris flow. It is obvious from engineering case the result in the method is consistent to that in real-time field observation.

  20. The enhanced volume source boundary point method for the calculation of acoustic radiation problem

    Institute of Scientific and Technical Information of China (English)

    WANG Xiufeng; CHEN Xinzhao; WANG Youcheng

    2003-01-01

    The Volume Source Boundary Point Method (VSBPM) is greatly improved so that it will speed up the VSBPM's solution of the acoustic radiation problem caused by the vibrating body. The fundamental solution provided by Helmholtz equation is enforced in a weighted residual sense over a tetrahedron located on the normal line of the boundary node to replace the coefficient matrices of the system equation. Through the enhanced volume source boundary point analysis of various examples and the sound field of a vibrating rectangular box in a semi-anechoic chamber, it has revealed that the calculating speed of the EVSBPM is more than 10 times faster than that of the VSBPM while it works on the aspects of its calculating precision and stability, adaptation to geometric shape of vibrating body as well as its ability to overcome the non-uniqueness problem.

  1. Calculation method and operation optimization of water supply and distribution systems equipped with water wells

    Directory of Open Access Journals (Sweden)

    O.Y. Pobereznichenko

    2014-04-01

    Full Text Available In the paper, there has been proposed a method of hydraulic and feasibility studies for water systems equipped with water wells which allows determining the optimal set of system structures and the most efficient regimes of their joint performance during operation. Some of the most difficult for hydraulic and feasibility calculations are water supply and distribution systems (hereinafter - SPRV, which contain water wells with borehole pumps. When designing new systems, setting up newly built ones and reconstructing the existing systems, it is necessary to choose the optimal set of structures, their optimal sizes and the most efficient regime of their joint performance. Currently, such systems are the most common for the underground water intake, and the complexity of the optimization calculations of their interacting structures joint performance, is accounted for with the need to specify the characteristics of all wells, their mutual interdependence, and the changes of their characteristics during operation.

  2. Numerical Calculation of Marine Propeller Hydrodynamic Characteristics in Unsteady Flow by Boundary Element Method

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In this paper,a low-order potential based on surface panel method is used for the analysis of marine propellers in unsteady flow.A linear propeller wake model is employed and its geometry is assumed to be independent of the time.The calculation in time domain is carried out from a moment when the rotation of the propeller becomes steady instead of from the moment when the rotation starts from stationary condition.At every time step a linear algebraic equation established on a key blade is solved numerically combined with the Kutta pressure condition.The calculated results by developed code indicate good convergency and effectiveness of present algorithm for conventional propellers and highly skewed propellers.

  3. A new method to calculate Berry phase in one-dimensional quantum anomalous Hall insulator

    Science.gov (United States)

    Liao, Yi

    2016-08-01

    Based on the residue theorem and degenerate perturbation theory, we derive a new, simple and general formula for Berry phase calculation in a two-level system for which the Hamiltonian is a real symmetric matrix. The special torus topology possessed by the first Brillouin zone (1 BZ) of this kind of systems ensures the existence of a nonzero Berry phase. We verify the correctness of our formula on the Su-Schrieffer-Heeger (SSH) model. Then the Berry phase of one-dimensional quantum anomalous Hall insulator (1DQAHI) is calculated analytically by applying our method, the result being -π/2 -π/4 sgn (B) [ sgn (Δ - 4 B) + sgn (Δ) ]. Finally, illuminated by this idea, we investigate the Chern number in the two-dimensional case, and find a very simple way to determine the parameter range of the non-trivial Chern number in the phase diagram.

  4. A general end point free energy calculation method based on microscopic configurational space coarse-graining

    CERN Document Server

    Tian, Pu

    2015-01-01

    Free energy is arguably the most important thermodynamic property for physical systems. Despite the fact that free energy is a state function, presently available rigorous methodologies, such as those based on thermodynamic integration (TI) or non-equilibrium work (NEW) analysis, involve energetic calculations on path(s) connecting the starting and the end macrostates. Meanwhile, presently widely utilized approximate end-point free energy methods lack rigorous treatment of conformational variation within end macrostates, and are consequently not sufficiently reliable. Here we present an alternative and rigorous end point free energy calculation formulation based on microscopic configurational space coarse graining, where the configurational space of a high dimensional system is divided into a large number of sufficiently fine and uniform elements, which were termed conformers. It was found that change of free energy is essentially decided by change of the number of conformers, with an error term that accounts...

  5. Verification and Calculation of Negative Refractive Indices of a Meta-Material by Numerical Method

    Institute of Scientific and Technical Information of China (English)

    SUI Qiang; LIU Ci-Xiang; LI Chao; LI Fang

    2005-01-01

    @@ The verification and calculation of the negative refractive index of a meta-material is carried out by the finite difference time-domain method. A slab and a prism of the meta-material are simulated. A genuine plane wave is generated by a two-direction periodic boundary condition (PBC) in the slab model Based on an advanced phase extraction technique, the negative refractive index of the meta-material is verified by phase velocity measurement in the slab and prism measurement. From our results, not only the phenomenon of backward phase propagation but also the negative refraction is clearly observed. The index is also calculated precisely. The results from the two models are consistent.

  6. Selecting an economically justifiable method of calculating ameliorant application rates for solonetzes with different sodium contents

    Science.gov (United States)

    Voropaeva, Z. I.

    2010-01-01

    The comparative assessment of methods for the calculation of the gypsum application rates based on the exchangeable sodium (Gedroits, Schollenberger), the estimated sodium (Schoonover), and the soil’s requirement for calcium (the version of the Omsk State Agrarian University) showed that, for the chemical amelioration of solonetzes with different contents of exchangeable sodium in Western Siberia, it is economically and ecologically advisable to calculate the ameliorant application rates from the estimated sodium. It was experimentally shown that the content of displaced magnesium used by Schoonover is a more efficient unified criterion than the value of the calcium adsorption by zonal soils. For improving the method’s accuracy, it was proposed to change the conditions of the soil preparation by regulating the concentration of the displacing solution, the interaction time, and the temperature.

  7. Calculating the reflected radiation error between turbine blades and vanes based on double contour integral method

    Science.gov (United States)

    Feng, Chi; Li, Dong; Gao, Shan; Daniel, Ketui

    2016-11-01

    This paper presents a CFD (Computation Fluid Dynamic) simulation and experimental results for the reflected radiation error from turbine vanes when measuring turbine blade's temperature using a pyrometer. In the paper, an accurate reflection model based on discrete irregular surfaces is established. Double contour integral method is used to calculate view factor between the irregular surfaces. Calculated reflected radiation error was found to change with relative position between blades and vanes as temperature distribution of vanes and blades was simulated using CFD. Simulation results indicated that when the vanes suction surface temperature ranged from 860 K to 1060 K and the blades pressure surface average temperature is 805 K, pyrometer measurement error can reach up to 6.35%. Experimental results show that the maximum pyrometer absolute error of three different targets on the blade decreases from 6.52%, 4.15% and 1.35% to 0.89%, 0.82% and 0.69% respectively after error correction.

  8. Methods, algorithms and computer codes for calculation of electron-impact excitation parameters

    CERN Document Server

    Bogdanovich, P; Stonys, D

    2015-01-01

    We describe the computer codes, developed at Vilnius University, for the calculation of electron-impact excitation cross sections, collision strengths, and excitation rates in the plane-wave Born approximation. These codes utilize the multireference atomic wavefunctions which are also adopted to calculate radiative transition parameters of complex many-electron ions. This leads to consistent data sets suitable in plasma modelling codes. Two versions of electron scattering codes are considered in the present work, both of them employing configuration interaction method for inclusion of correlation effects and Breit-Pauli approximation to account for relativistic effects. These versions differ only by one-electron radial orbitals, where the first one employs the non-relativistic numerical radial orbitals, while another version uses the quasirelativistic radial orbitals. The accuracy of produced results is assessed by comparing radiative transition and electron-impact excitation data for neutral hydrogen, helium...

  9. A proposal to first principles electronic structure calculation: Symbolic-Numeric method

    CERN Document Server

    Kikuchi, Akihito

    2012-01-01

    This study proposes an approach toward the first principles electronic structure calculation with the aid of symbolic-numeric solving. The symbolic computation enables us to express the Hartree-Fock-Roothaan equation in an analytic form and approximate it as a set of polynomial equations. By use of the Grobner basis technique, the polynomial equations are transformed into other ones which have identical roots. The converted equations take more convenient forms which will simplify numerical procedures, from which we can derive necessary physical properties in order, in an a la carte way. This method enables us to solve the electronic structure calculation, the optimization of any kind, or the inverse problem as a forward problem in a unified way, in which there is no need for iterative self-consistent procedures with trials and errors.

  10. Application of dose kernel calculation using a simplified Monte Carlo method to treatment plan for scanned proton beams.

    Science.gov (United States)

    Mizutani, Shohei; Takada, Yoshihisa; Kohno, Ryosuke; Hotta, Kenji; Tansho, Ryohei; Akimoto, Tetsuo

    2016-03-01

    Full Monte Carlo (FMC) calculation of dose distribution has been recognized to have superior accuracy, compared with the pencil beam algorithm (PBA). However, since the FMC methods require long calculation time, it is difficult to apply them to routine treatment planning at present. In order to improve the situation, a simplified Monte Carlo (SMC) method has been introduced to the dose kernel calculation applicable to dose optimization procedure for the proton pencil beam scanning. We have evaluated accuracy of the SMC calculation by comparing a result of the dose kernel calculation using the SMC method with that using the FMC method in an inhomogeneous phantom. The dose distribution obtained by the SMC method was in good agreement with that obtained by the FMC method. To assess the usefulness of SMC calculation in clinical situations, we have compared results of the dose calculation using the SMC with those using the PBA method for three clinical cases of tumor treatment. The dose distributions calculated with the PBA dose kernels appear to be homogeneous in the planning target volumes (PTVs). In practice, the dose distributions calculated with the SMC dose kernels with the spot weights optimized with the PBA method show largely inhomogeneous dose distributions in the PTVs, while those with the spot weights optimized with the SMC method have moderately homogeneous distributions in the PTVs. Calculation using the SMC method is faster than that using the GEANT4 by three orders of magnitude. In addition, the graphic processing unit (GPU) boosts the calculation speed by 13 times for the treatment planning using the SMC method. Thence, the SMC method will be applicable to routine clinical treatment planning for reproduction of the complex dose distribution more accurately than the PBA method in a reasonably short time by use of the GPU-based calculation engine. PACS number(s): 87.55.Gh.

  11. Three methods for calculating Moore's loudness%Moore响度的三种计算方法

    Institute of Scientific and Technical Information of China (English)

    焦中兴; 刘威; 何岭松

    2012-01-01

    The procedure of Moore's loudness model was briefly introduced using the spectrum parameters of the sound signal as the input of the model. Three methods were proposed to calculate Moore's loudness. They are the FFT spectrum method, the correcting FFT spectrum method and the one-third octave band spectrum method. By calculating loudness of standard signals, the accurate and the efficiency of three methods were analyzed and compared. The implications of the results were discussed. For pure tones and complex tones, the correcting FFT spectrum method or the FFT spectrum method with a FFT length of 4096 sample points are recommended and for broadband noise, the one-third octave band spectrum is recommended.%简单介绍了Moore响度模型的计算过程,针对该模型以参数化方式输入信号频谱的特点,提出了直接FFT(快速傅里叶变换)频谱算法、FFT校正频谱算法和1/3倍频程谱算法等3条Moore响度计算路线,分析对比了3种不同算法对典型信号响度计算精度的影响.分析结果表明:对纯音或复合音信号,可采用FFT校正频谱算法或点数为4096的直接FFT频谱算法计算响度;对带宽较宽的噪声信号,建议采用1/3倍频程谱计算响度.

  12. DEVELOPMENT OF METHODS OF CALCULATION OF TRACTION POWER SUPPLY SYSTEMS AND ENERGY SYSTEMS FEEDING THEM

    Directory of Open Access Journals (Sweden)

    I.V. Domanskyi

    2015-08-01

    Full Text Available Currently, the cause deterioration of quality rating of electricity on tire traction substations AC can be either how mode of operation of power systems, industrial loads so and the impact of electric traction. The experience of energy surveys show that the loss from flow potential equalization currents in each the third plot between traction substations AC is amount to not less than 250 thousand kW∙h per year. To select the optimum power and places location of the device longitudinal capacitive of compensation and decision other tasks it is necessary methodology of systems of calculation that takes into account the complex nature of the mutual influence of the quality of the electricity coming from the energy system of and the transportation process. In the paper proposed three options for calculation algorithms modes work of existing and perspective systems, traction power supply AC jointly with power supply their by energy systems, including the algorithm for calculating networks of different nominal voltages using the transformations; decomposition and synthesis of networks with different voltage levels; the iterations and probabilistic assessment of the impact of power mains. Developed the schemes formalization of graphs and the matrices of portions of the outer and traction power supply and method of selecting parameters and places location of the devices longitudinal capacitive of compensation, which are based on direct methods solving systems of linear algebraic equations with a dense banded and profile-sparse the matrix. Are generalized ways of formation and transformation of graphs of schemes traction power supply and feeding them energy systems and proposed the method of calculation the complex the moment of schemes, which increases the accuracy of calculating of flows power on traction networks to 1-2 % and allows you to select the optimal parameters and places location of the devices longitudinal capacitive of compensation

  13. Monomer Basis Representation Method For Calculating The Spectra Of Molecular Clusters I. The Method And Qualitative Models

    CERN Document Server

    Ocak, Mahir E

    2012-01-01

    Firstly, a sequential symmetry adaptation procedure is derived for semidirect product groups. Then, this sequential symmetry adaptation procedure is used in the development of new method named Monomer Basis Representation (MBR) for calculating the vibration-rotation-tunneling (VRT) spectra of molecular clusters. The method is based on generation of optimized bases for each monomer in the cluster as a linear combination of some primitive basis functions and then using the sequential symmetry adaptation procedure for generating a small symmetry adapted basis for the solution of the full problem. It is seen that given an optimized basis for each monomer the application of the sequential symmetry adaptation procedure leads to a generalized eigenvalue problem instead of a standard eigenvalue problem if the procedure is used as it is. In this paper, MBR method will be developed as a solution of that problem such that it leads to generation of an orthogonal optimized basis for the cluster being studied regardless of...

  14. ACRES: An Efficient Method for First-Principles Electronic Structure Calculations of Complex Systems

    Energy Technology Data Exchange (ETDEWEB)

    WAGHMARE,R.V.; KIM,HANCHUL; PARK,I.J.; MODINE,NORMAND A.; MARAGAKIS,P.; KAXIRAS,EFTHIMIOS

    2000-08-29

    The authors discuss their new implementation of the Adaptive Coordinate Real-space Electronic Structure (ACRES) method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version aims at making the method widely applicable and efficient, using high performance Fortran on parallel architectures. The scaling of various parts of an ACRES calculation is analyzed and compared to that of plane-wave based methods. The new developments that lead to enhanced performance, and their parallel implementation, are presented in detail. They illustrate the application of ACRES to the study of elemental crystalline solids, molecules and complex crystalline materials, such as blue bronze and zeolites.

  15. Development of a Monte-Carlo based method for calculating the effect of stationary fluctuations

    DEFF Research Database (Denmark)

    Pettersen, E. E.; Demazire, C.; Jareteg, K.;

    2015-01-01

    This paper deals with the development of a novel method for performing Monte Carlo calculations of the effect, on the neutron flux, of stationary fluctuations in macroscopic cross-sections. The basic principle relies on the formulation of two equivalent problems in the frequency domain: one...... equivalent problems nevertheless requires the possibility to modify the macroscopic cross-sections, and we use the work of Kuijper, van der Marck and Hogenbirk to define group-wise macroscopic cross-sections in MCNP [1]. The method is illustrated in this paper at a frequency of 1 Hz, for which only the real...... part of the neutron balance plays a significant role and for driving fluctuations leading to neutron sources having the same sign in the two equivalent sub-critical problems. A semi-analytical diffusion-based solution is used to verily the implementation of the method on a test case representative...

  16. Efficient partial element calculation and the extension to cylindrical elements for the PEEC method

    Energy Technology Data Exchange (ETDEWEB)

    Muesing, A.; Kolar, J. W.

    2008-07-01

    For various electrical interconnect and electromagnetic compatibility (EMC) problems, the Partial Element Equivalent Circuit (PEEC) method has proven to be a valid and fast solution method of the electrical field integral equation in the time as well as the frequency domain. Therefore, PEEC has become a multipurpose full-wave simulation method, especially suited for the solution of combined circuit and EM problems, as found on printed circuit board layouts, power electronics devices or EMC filters. Recent research introduced various extensions to the basic PEEC approach, for example a non-orthogonal cell geometry formulation. This work presents a fast, flexible and accurate computational method for determining the matrix entries of partial inductances and the coefficients of potential for general non-orthogonal PEEC cell geometries. The presented computation method utilizes analytical filament formulas to reduce the integration order and therefore to reduce computation time. The validity, accuracy and speed of the proposed method is compared with a standard integration routine on example cell geometries where the numeric results of the new method show improved accuracy, coming along with reduced computation time. Furthermore, this work shows an extension to cylindrical elements which is consistent with classical PEEC models, using the proposed integration routines for the partial element calculations. (author)

  17. Comparative Assessment of Models and Methods To Calculate Grid Electricity Emissions.

    Science.gov (United States)

    Ryan, Nicole A; Johnson, Jeremiah X; Keoleian, Gregory A

    2016-09-01

    Due to the complexity of power systems, tracking emissions attributable to a specific electrical load is a daunting challenge but essential for many environmental impact studies. Currently, no consensus exists on appropriate methods for quantifying emissions from particular electricity loads. This paper reviews a wide range of the existing methods, detailing their functionality, tractability, and appropriate use. We identified and reviewed 32 methods and models and classified them into two distinct categories: empirical data and relationship models and power system optimization models. To illustrate the impact of method selection, we calculate the CO2 combustion emissions factors associated with electric-vehicle charging using 10 methods at nine charging station locations around the United States. Across the methods, we found an up to 68% difference from the mean CO2 emissions factor for a given charging site among both marginal and average emissions factors and up to a 63% difference from the average across average emissions factors. Our results underscore the importance of method selection and the need for a consensus on approaches appropriate for particular loads and research questions being addressed in order to achieve results that are more consistent across studies and allow for soundly supported policy decisions. The paper addresses this issue by offering a set of recommendations for determining an appropriate model type on the basis of the load characteristics and study objectives.

  18. Weather data for simplified energy calculation methods. Volume I. Eastern United States: TRY data

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 23 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  19. The behavior of compression and degradation for municipal solid waste and combined settlement calculation method.

    Science.gov (United States)

    Shi, Jianyong; Qian, Xuede; Liu, Xiaodong; Sun, Long; Liao, Zhiqiang

    2016-09-01

    The total compression of municipal solid waste (MSW) consists of primary, secondary, and decomposition compressions. It is usually difficult to distinguish between the three parts of compressions. In this study, the odeometer test was used to distinguish between the primary and secondary compressions to determine the primary and secondary compression coefficient. In addition, the ending time of the primary compressions were proposed based on municipal solid waste compression tests in a degradation-inhibited condition by adding vinegar. The amount of the secondary compression occurring in the primary compression stage has a relatively high percentage to either the total compression or the total secondary compression. The relationship between the degradation ratio and time was obtained from the tests independently. Furthermore, a combined compression calculation method of municipal solid waste for all three parts of compressions including considering organics degradation is proposed based on a one-dimensional compression method. The relationship between the methane generation potential L0 of LandGEM model and degradation compression index was also discussed in the paper. A special column compression apparatus system, which can be used to simulate the whole compression process of municipal solid waste in China, was designed. According to the results obtained from 197-day column compression test, the new combined calculation method for municipal solid waste compression was analyzed. The degradation compression is the main part of the compression of MSW in the medium test period.

  20. Local Correlation Calculations Using Standard and Renormalized Coupled-Cluster Methods

    Science.gov (United States)

    Piecuch, Piotr; Li, Wei; Gour, Jeffrey

    2009-03-01

    Local correlation variants of the coupled-cluster (CC) theory with singles and doubles (CCSD) and CC methods with singles, doubles, and non-iterative triples, including CCSD(T) and the completely renormalized CR-CC(2,3) approach, are developed. The main idea of the resulting CIM-CCSD, CIM-CCSD(T), and CIM-CR-CC(2,3) methods is the realization of the fact that the total correlation energy of a large system can be obtained as a sum of contributions from the occupied orthonormal localized molecular orbitals and their respective occupied and unoccupied orbital domains. The CIM-CCSD, CIM-CCSD(T), and CIM-CR-CC(2,3) algorithms are characterized by the linear scaling of the total CPU time with the system size and embarrassing parallelism. By comparing the results of the canonical and CIM-CC calculations for normal alkanes and water clusters, it is demonstrated that the CIM-CCSD, CIM-CCSD(T), and CIM-CR-CC(2,3) approaches recover the corresponding canonical CC correlation energies to within 0.1 % or so, while offering savings in the computer effort by orders of magnitude. By examining the dissociation of dodecane into C11H23 and CH3 and several lowest-energy structures of the (H2O)n clusters, it is shown that the CIM-CC methods accurately reproduce the relative energetics of the corresponding canonical CC calculations.

  1. Weather data for simplified energy calculation methods. Volume II. Middle United States: TRY data

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 22 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  2. Digital image correlation method for calculating coefficients of Williams expansion in compact tension specimen

    Science.gov (United States)

    Ayatollahi, Majid R.; Moazzami, Mostafa

    2017-03-01

    The digital image correlation (DIC) method is used to obtain the coefficients of higher-order terms in the Williams expansion in a compact tension (CT) specimens made of polymethyl methacrylate (PMMA). The displacement field is determined by the correlation between reference image (i.e., before deformation) and deformed image. The part of displacements resulting from rigid body motion and rotation is eliminated from the displacement field. For a large number of points in the vicinity of the crack tip, an over-determined set of simultaneous linear equations is collected, and by using the fundamental concepts of the least-squares method, the coefficients of the Williams expansion are calculated for pure mode I conditions. The experimental results are then compared with the numerical results calculated by finite element method (FEM). Very good agreement is shown to exist between the DIC and FE results confirming the effectiveness of the DIC technique in obtaining the coefficients of higher order terms of Williams series expansion from the displacement field around the crack tip.

  3. Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC); Bluemlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, Fabian [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC)

    2014-02-15

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a{sup N}, a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.

  4. Discussion and calculation on welding residual longitudinal stress and plastic strain by finite element method

    Institute of Scientific and Technical Information of China (English)

    Hong-yuan FANG; Xue-qiu ZHANG; Jian-guo WANG; Xue-song LIU; Shen QU

    2009-01-01

    In recent years, some researchers have put forward the new viewpoint that the weld is merely formed during the cooling process, not concerned with the heating process. According to this view, it can be concluded that it is not the compressive but the tensile plastic strain that may remain in the weld. To analyze the formation mechanism of the longitudinal residual stress and plastic strain, finite element method (FEM) is employed in this paper to model the welding longitudinal residual stress and plastic strain. The calculation results show that both the residual compressive plastic strain and the tensile stress in the longitudinal direction can be found in the weld.

  5. Improving method for calculating integral index of personnel security of company

    Directory of Open Access Journals (Sweden)

    Chjan Khao Yui

    2016-06-01

    Full Text Available The paper improves the method of calculating the integral index of personnel security of a company. The author has identified four components of personnel security (social and motivational safety, occupational safety, not confliction security, life safety which are characterized by certain indicators. Integral index of personnel security is designed for the enterprises of machine-building sector in Kharkov region, taking into account theweight coefficients j-th component of bj, and weighting factors that determine the degree of contribution of the ith parameter in the integral index aіj as defined by experts.

  6. Analytical Method to Calculate the DC Link Current Stress in Voltage Source Converters

    DEFF Research Database (Denmark)

    Gohil, Ghanshyamsinh Vijaysinh; Bede, Lorand; Teodorescu, Remus;

    2014-01-01

    The dc-link capacitor is one of the critical components, which influences the lifetime of the whole voltage source converter unit. For reliable design, the operating temperature of the dc-link capacitor should be known, which is primarily determined by the ambient temperature and the rms value...... of the current flowing through the dc-link capacitor. A simple analytical method to calculate the rms value of the dc-link capacitor current is presented in this paper. The effect of the line current ripple on the rms value of the dc-link capacitor current is considered. This yields accurate results, especially...

  7. Calculation of the surface energy of fcc metals with modified embedded-atom method

    Institute of Scientific and Technical Information of China (English)

    Zhang Jian-Min; Ma Fei; Xu Ke-Wei

    2004-01-01

    The surface energies for 38 surfaces of fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Rh and Ir have been calculated by using the modified embedded-atom method. The results show that, for Cu, Ag, Ni, Al, Pb and Ir, the average values of the surface energies are very close to the polycrystalline experimental data. For all fcc metals, as predicted, the close-packed (111) surface has the lowest surface energy. The surface energies for the other surfaces increase linearly with increasing angle between the surfaces (hkl) and (111). This can be used to estimate the relative values of the surface energy.

  8. New Regularization-Renormalization Method in Quantum Electrodynamics and Qualitative Calculation on Lamb Shift

    CERN Document Server

    Ni, G; Ni, Guang-jiong; Wang, Haibin

    1997-01-01

    A simple but effective method for regularization-renormalization (R-R) is proposed for handling the Feynman diagram integral (FDI) at one loop level in quantum electrodynamics (QED). The divergence is substituted by some constants to be fixed via experiments. So no counter term, no bare parameter and no arbitrary running mass scale is involved. Then the Lamb Shift in Hydrogen atom can be calculated qualitatively and simply as $\\Delta E(2S_{1/2})- \\Delta E(2P_{1/2})=996.7 MHz$ versus the experimental value $1057.85 MHz$.

  9. Re-examining the Dissolution of Spent Fuel: A Comparison of Different Methods for Calculating Rates

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, B D; Stout, R B

    2004-04-09

    Dissolution rates for spent fuel have typically been reported in terms of a rate normalized to the surface area of the specimen. Recent evidence has shown that neither the geometric surface area nor that measured with BET accurately predicts the effective surface area of spent fuel. Dissolution rates calculated from results obtained by flowthrough tests were reexamined comparing the cumulative releases and surface area normalized rates. While initial surface area is important for comparison of different rates, it appears that normalizing to the surface area introduces unnecessary uncertainty compared to using cumulative or fractional release rates. Discrepancies in past data analyses are mitigated using this alternative method.

  10. Assessment of uncertainty in full core reactor physics calculations using statistical methods

    Energy Technology Data Exchange (ETDEWEB)

    McEwan, C., E-mail: mcewac2@mcmaster.ca [McMaster Univ., Hamilton, Ontario (Canada)

    2012-07-01

    The best estimate method of safety analysis involves choosing a realistic set of input parameters for a proposed safety case and evaluating the uncertainty in the results. Determining the uncertainty in code outputs remains a challenge and is the subject of a benchmarking exercise proposed by the Organization for Economic Cooperation and Development. The work proposed in this paper will contribute to this benchmark by assessing the uncertainty in a depletion calculation of the final nuclide concentrations for an experiment performed in the Fukushima-2 reactor. This will be done using lattice transport code DRAGON and a tool known as DINOSAUR. (author)

  11. Method to calculate interior sound field of arbitrary-shaped closed thin shell

    Institute of Scientific and Technical Information of China (English)

    WU Jiuhui; CHEN Hualing; HU Xuanli

    2001-01-01

    The concept of covering-domain means that an arbitrary-shaped closed shell can be approached by a series of closed spherical shells. Based on it, the interior scattering sound field of the arbitrary-shaped closed shell is given. According to the reciprocity theory, the radiating sound field of the elastic surface due to the action of external force is presented. The method presented can also be used to calculate the interior sound fields of arbitraryshaped closed thin shells of which the thickness are either equal or unequal. It is verified to be correct by corresponding test.

  12. Shielding properties of a conducting bar calculated with a boundary integral method

    Directory of Open Access Journals (Sweden)

    L. O. Fichte

    2005-01-01

    Full Text Available A plane rectangular bar of conducting and permeable material is placed in an external low-frequency magnetic field. The shielding properties of this object are investigated by solving the given plane eddy current problem for the vector potential with the boundary integral equation method. The vector potential inside the rectangle is governed by Helmholtz' equation, which in our case is solved by separation. The solution is inserted into the remaining boundary integral equation for the exterior vector potential in the domain surrounding the bar. By expressing its logarithmic kernel as a Fourier integral the overall solution inside and outside the bar is calculated using analytical means only.

  13. Integral method for the calculation of Hawking radiation in dispersive media. I. Symmetric asymptotics.

    Science.gov (United States)

    Robertson, Scott; Leonhardt, Ulf

    2014-11-01

    Hawking radiation has become experimentally testable thanks to the many analog systems which mimic the effects of the event horizon on wave propagation. These systems are typically dominated by dispersion and give rise to a numerically soluble and stable ordinary differential equation only if the rest-frame dispersion relation Ω^{2}(k) is a polynomial of relatively low degree. Here we present a new method for the calculation of wave scattering in a one-dimensional medium of arbitrary dispersion. It views the wave equation as an integral equation in Fourier space, which can be solved using standard and efficient numerical techniques.

  14. Highly Parallel Demagnetization Field Calculation Using the Fast Multipole Method on Tetrahedral Meshes with Continuous Sources

    CERN Document Server

    Palmesi, Pietro; Bruckner, Florian; Abert, Claas; Suess, Dieter

    2016-01-01

    The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Improvements both on a numerical and computational basis can relief problems related to this bottleneck. This work presents an efficient implementation of the Fast Multipole Method [FMM] for the magnetic scalar potential as used in micromagnetics. We assume linearly magnetized tetrahedral sources, treat the near field directly and use analytical integration on the multipole expansion in the far field. This approach tackles important issues like the vectorial and continuous nature of the magnetic field. By using FMM the calculations scale linearly in time and memory.

  15. A new method to calculate monthly CO emissions using MOPITT satellite data

    Institute of Scientific and Technical Information of China (English)

    LIN YunPing; ZHAO ChunSheng; PENG Li; FANG YuanYuan

    2007-01-01

    A new method is developed to calculate monthly CO emission data using MOZART modeled and MOPITT observed CO data in 2004. New CO emission data were obtained with budget analysis of the processes controlling CO concentration such as surface emission, transport, chemical transform and dry deposition. MOPITT data were used to constrain the model simulation. New CO emission data agree well with Horowitz's emissions in the spatial distributions. Horowitz's emissions are found to underestimate CO emissions significantly in the industrial areas of Asia and North America, where high CO emissions are mainly due to the anthropogenic activities. New CO emissions can better reflect the more recent CO actual emissions than Horowitz's.

  16. Application de la methode des sous-groupes au calcul Monte-Carlo multigroupe

    Science.gov (United States)

    Martin, Nicolas

    This thesis is dedicated to the development of a Monte Carlo neutron transport solver based on the subgroup (or multiband) method. In this formalism, cross sections for resonant isotopes are represented in the form of probability tables on the whole energy spectrum. This study is intended in order to test and validate this approach in lattice physics and criticality-safety applications. The probability table method seems promising since it introduces an alternative computational way between the legacy continuous-energy representation and the multigroup method. In the first case, the amount of data invoked in continuous-energy Monte Carlo calculations can be very important and tend to slow down the overall computational time. In addition, this model preserves the quality of the physical laws present in the ENDF format. Due to its cheap computational cost, the multigroup Monte Carlo way is usually at the basis of production codes in criticality-safety studies. However, the use of a multigroup representation of the cross sections implies a preliminary calculation to take into account self-shielding effects for resonant isotopes. This is generally performed by deterministic lattice codes relying on the collision probability method. Using cross-section probability tables on the whole energy range permits to directly take into account self-shielding effects and can be employed in both lattice physics and criticality-safety calculations. Several aspects have been thoroughly studied: (1) The consistent computation of probability tables with a energy grid comprising only 295 or 361 groups. The CALENDF moment approach conducted to probability tables suitable for a Monte Carlo code. (2) The combination of the probability table sampling for the energy variable with the delta-tracking rejection technique for the space variable, and its impact on the overall efficiency of the proposed Monte Carlo algorithm. (3) The derivation of a model for taking into account anisotropic

  17. Methodologies and Comparisons for Lund's Two Methods for Calculating Probability of Cloud-Free Line-of-Sight.

    Science.gov (United States)

    Yu, Shawn; Case, Kenneth E.; Chernick, Julian

    1986-03-01

    To help in the implementation of Lund's probability of cloud-free line-of-sight (PCFLOS) calculations (method A and method B) for limited altitudes, a methodology for cumulative cloud cover calculation (required for both methods) is introduced and a methodology for cumulative cloud form determination (required for method B) is developed. To study the PCFLOS differences between the two methods, Lund's master matrices are investigated and the derived PCFLOS results of Hamburg, Germany, are compared and analyzed for variations in selected environmental parameters. Based upon numerical studies performed in this research effort, it is strongly recommended that Lund's method B should always be adopted for general purpose worldwide PCFLOS calculations.

  18. 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.

  19. A selection method for the calculation of preliminary risk-based remediation goals

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, L.A.; Batey, J.C.; Pintenich, J.L. [Eckenfelder Inc., Nashville, TN (United States)

    1995-12-31

    In the process of deriving acceptable concentrations of chemical constituents (or preliminary risk-based remediation goals, PRGs) for hazardous and other waste sites based on the site risk assessment results, it may be necessary or desirable to select a subset of constituents to focus the remainder of the site activities including the feasibility study and possibly, remedial design and verification sampling. Use of a focused set of action or clean-up goals offers the benefits of targeting those site areas where efforts should be concentrated, and reducing the cost and complexity of clean-up and verification sampling. Although the federal Superfund risk assessment guidance provides methods by which to calculate PRGs, no information is given on how to select which chemicals PRGs should be generated for. A method for this selection is presented which establishes: the media of interest; the populations for which PRGs should be generated; the relevant exposure route(s) for a given population to be used in calculating PRGs; and the individual constituents for which PRGs should be estimated. To illustrate this selection process, remedial investigation (RI) data and a baseline risk assessment for a hazardous waste site in Mississippi were used. The media of interest were identified as surface water and sediment from a creek that is adjacent to the site, on-site surface water, and groundwater from the uppermost aquifer. Of the 45 constituents detected in site-related waters, this selection process resulted in 16 for which PRGs were calculated, which served to focus the subsequent feasibility study efforts.

  20. Calculation of pole profiles for the design of particle accelerators magnets. Equivalent current and conformal representation methods; Calcul de profils polaires destines a des aimants d'accelerateurs de particules. Methode des courants et methode des transformations conformes

    Energy Technology Data Exchange (ETDEWEB)

    Jaidane, S. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-04-01

    These two methods allow the determination of the shape of the poles in magnets, for a given field distribution in the air-gap. First method: The principle of the method consists to create the desired law of field by means of current sheets in which one can adjust the density given in a polynomial form. For the right distribution of these currents, the equipotential corresponding to the magnetic potential of the excitation coils is calculated. The pole profile of the H or C magnet identified with this equipotential line will finally take the place of the distribution of the current sheets used in the calculation. Steel permeability is assumed to be infinite and Foucault current effects are neglected in the case of variable fields. Second method: It consists to find a conformal representation that maps the pole profile plane upon the upper half of another plane where the equipotentials are two half straight lines, and where the field problems are easier to solve. Steel permeability is also considered to be infinite and the coils far from the pole faces. This known method has been applied to be compared with the first one. (author) [French] Ces deux methodes consistent a determiner la forme des pieces polaires d'aimants pour une distribution de champ determinee a l'avance dans l'entrefer. Premiere methode: Le principe de la methode consiste a creer la loi de champ desiree par l'intermediaire de nappes de courant dont on peut ajuster la densite exprimee sous une forme polynominale. Pour une distribution convenable de ces courants, on calcule l'equipotentielle correspondant au potentiel magnetique des bobines d'excitation. Le profil polaire d'un aimant en H ou C identifie a l'equipotentielle se substitue finalement a la repartition des nappes de courant utilisee dans la methode de calcul. La permeabilite de l'acier est supposee infinie et les courants de Foucault sont negliges dans le cas des champs variables. Seconde methode

  1. A New Method for Calculation of Single Seismic Phase of Cylindrically Multilayered Media Including Liquid Interlayer

    Institute of Scientific and Technical Information of China (English)

    SONG Ruo-Long; WANG Ke-Xie; ZHANG Hong-Bing; HAN Wei

    2007-01-01

    A new method based on generalized reflection and transmission (R/T) coefficients method is proposed to calculate the single seismic phase (SSP) of cylindrically multilayered media including liquid interlayer. The use of normalization factors and normalized Lame coefficients makes the algorithm stable numerically. Using the modified R/T matrices, we derive the iterative expressions of generalized R/T matrices, and by using the iterative relation we determine the SSP of each interface and the full waveforms. To show the superiority of this new approach for investigating of reflection and transmission properties of cylindrically multilayered media, we simulate the full waveforms and SSPs of cased hole model with annulus Ⅰ (casing-cement interface) channelling (or,cross-flow). The generalized reflection coefficient spectra and SSPs of interfaces obtained show the propagation mechanism of each component of full waveform clearly.

  2. A coordinate transformation method for calculating the 3D light intensity distribution in ICF hohlraum

    Science.gov (United States)

    Lin, Zhili; Li, Xiaoyan; Zhao, Kuixia; Chen, Xudong; Chen, Mingyu; Pu, Jixiong

    2016-06-01

    For an inertial confinement fusion (ICF) system, the light intensity distribution in the hohlraum is key to the initial plasma excitation and later laser-plasma interaction process. Based on the concept of coordinate transformation of spatial points and vector, we present a robust method with a detailed procedure that makes the calculation of the three dimensional (3D) light intensity distribution in hohlraum easily. The method is intuitive but powerful enough to solve the complex cases of random number of laser beams with arbitrary polarization states and incidence angles. Its application is exemplified in the Shenguang III Facility (SG-III) that verifies its effectiveness and it is useful for guiding the design of hohlraum structure parameter.

  3. A direct hybrid S{sub N} method for slab-geometry lattice calculations

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Davi J.M.; Barros, Ricardo C., E-mail: rcbarros@pq.cnpq.b [Universidade do Estado do Rio de Janeiro (IPRJ/UERJ), Nova Friburgo, RJ (Brazil). Programa de Pos-graduacao em Modelagem Computacional; Zani, Jose H. [Fundacao Educacional Serra dos Orgaos, Teresopolis, RJ (Brazil). Ciencia da Computacao

    2011-07-01

    In this work we describe a hybrid direct method for calculating the thermal disadvantage factor and the neutron flux distribution in fuel-moderator lattices. For the mathematical model, we use the one-speed slab-geometry discrete ordinates (S{sub N}) transport equation with linearly anisotropic scattering. The basic idea is to use higher order angular quadrature set in the highly absorbing fuel region (S{sub NF}) and lower order angular quadrature set in the diffusive moderator region (S{sub NM}) , i.e., N{sub F} > N{sub M}. We apply special continuity conditions based on the equivalence of the S{sub N} and P{sub N-1} equations, which characterize the hybrid model. Numerical results to a typical model problem are given to illustrate the accuracy and the efficiency of the offered hybrid method. (author)

  4. An efficient and accurate method for calculating nonlinear diffraction beam fields

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Hyun Jo; Cho, Sung Jong; Nam, Ki Woong; Lee, Jang Hyun [Division of Mechanical and Automotive Engineering, Wonkwang University, Iksan (Korea, Republic of)

    2016-04-15

    This study develops an efficient and accurate method for calculating nonlinear diffraction beam fields propagating in fluids or solids. The Westervelt equation and quasilinear theory, from which the integral solutions for the fundamental and second harmonics can be obtained, are first considered. A computationally efficient method is then developed using a multi-Gaussian beam (MGB) model that easily separates the diffraction effects from the plane wave solution. The MGB models provide accurate beam fields when compared with the integral solutions for a number of transmitter-receiver geometries. These models can also serve as fast, powerful modeling tools for many nonlinear acoustics applications, especially in making diffraction corrections for the nonlinearity parameter determination, because of their computational efficiency and accuracy.

  5. Calculating Massive 3-loop Graphs for Operator Matrix Elements by the Method of Hyperlogarithms

    CERN Document Server

    Ablinger, Jakob; Raab, Clemens; Schneider, Carsten; Wißbrock, Fabian

    2014-01-01

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist $\\tau =2$ local operator insertions corresponding to spin $N$. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and $V$-type graphs, belonging to the genuine 3-loop topologies. In case of the $V$-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of $\\sim 30$ square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for $N \\in...

  6. Large difference between two methods of calculating the integrated Fermi function in superallowed. beta. -decays

    Energy Technology Data Exchange (ETDEWEB)

    Szybisz, L. (Koeln Univ. (Germany, F.R.). Inst. fuer Theoretische Kernphysik); Silbergleit, V.M. (Buenos Aires Univ. Nacional (Argentina). Dept. de Fisica); Sidelnik, J.I. (Comision Nacional de Energia Atomica, Buenos Aires (Argentina). Dept. de Reactores)

    1983-03-03

    The integrated statistical rates for superallowed O/sup +/ - O/sup +/ ..beta..-transitions evaluated according to the most widely used methods proposed by Behrens-Jaenecke-Buehring and Towner-Hardy are compared. It is shown that both calculations are in essential agreement up to mass A=38. However, for heavier nuclei there is a discrepancy. The disagreement, which increases with increasing Z, ranges from 0.07% for /sup 42/Sc to as much as 0.13% for /sup 54/Co and is larger than the errors attached for f-values due to uncertainties in W/sub 0/ (these being about 0.03-0.04%). Moreover, such differences are either comparable to or even larger than the uncertainties in t and deltasub(c). The disagreement is attributed to the different evaluations of the second-forbidden nuclear matrix elements. The choice of the parameters used in both methods is also discussed.

  7. Large difference between two methods of calculating the integrated fermi function in superallowed β-decays

    Science.gov (United States)

    Szybisz, L.; Silbergleit, V. M.; Sidelnik, J. I.

    1983-03-01

    The integrated statistical rates for superallowed 0 +-0 + β-transitions evaluated according to the most widely used methods proposed by Behrens-Jänecke-Bühring and Towner-Hardy are compared. It is shown that both calculations are in essential agreement up to mass A=38. However, for heavier nuclei there is a discrepancy. The disagreement, which increases with increasing Z, ranges from 0.07% for 42Sc to as much as 0.13% for 54Co and is larger than the errors attached to f-values due to uncertainties in W0 (these being about 0.03-0.04%). Moreover, such differences are either comparable to or even larger than the uncertainties in t and δc. The disagreement is attributed to the different evaluations of the second-forbidden nuclear matrix elements. The choice of the parameters used in both methods is also discussed.

  8. Method for calculating ionic and electronic defect concentrations in y-stabilised zirconia

    Energy Technology Data Exchange (ETDEWEB)

    Poulsen, F.W. [Risoe National Lab., Materials Research Dept., Roskilde (Denmark)

    1997-10-01

    A numerical (trial and error) method for calculation of concentration of ions, vacancies and ionic and electronic defects in solids (Brouwer-type diagrams) is presented. No approximations or truncations of the set of equations describing the chemistry for the various defect regions are used. Doped zirconia and doped thoria with simultaneous presence of protonic and electronic defects are taken as examples: 7 concentrations as function of oxygen partial pressure and/or water vapour partial pressure are determined. Realistic values for the equilibrium constants for equilibration with oxygen gas and water vapour, as well as for the internal equilibrium between holes and electrons were taken from the literature. The present mathematical method is versatile - it has also been employed by the author to treat more complex systems, such as perovskite structure oxides with over- and under-stoichiometry in oxygen, cation vacancies and simultaneous presence of protons. (au) 6 refs.

  9. DSMC calculations for the double ellipse. [direct simulation Monte Carlo method

    Science.gov (United States)

    Moss, James N.; Price, Joseph M.; Celenligil, M. Cevdet

    1990-01-01

    The direct simulation Monte Carlo (DSMC) method involves the simultaneous computation of the trajectories of thousands of simulated molecules in simulated physical space. Rarefied flow about the double ellipse for test case 6.4.1 has been calculated with the DSMC method of Bird. The gas is assumed to be nonreacting nitrogen flowing at a 30 degree incidence with respect to the body axis, and for the surface boundary conditions, the wall is assumed to be diffuse with full thermal accommodation and at a constant wall temperature of 620 K. A parametric study is presented that considers the effect of variations of computational domain, gas model, cell size, and freestream density on surface quantities.

  10. An improved mixed numerical-experimental method for stress field calculation

    Science.gov (United States)

    Lopes, H. M. R.; Guedes, R. M.; Vaz, M. A.

    2007-07-01

    In this work a numerical-experimental method is used to study the dynamic behavior of an aluminum plate subjected to a small mass impact. The out-of-plane displacements, due to transient bending wave propagation, were assessed for successive time instants, using double pulse TV-holography, also known as pulsed ESPI. The experimental setup and the image processing methods were improved to allow the calculation of the plate transient stress field. Integral transforms are used to obtain the strain fields from spatial derivatives of displacements noisy data. A numerical simulation of the plate transient response was carried out with FEM Ansys ®. For this purpose a PZT transducer was used to record the impact force history, which was inputted in the numerical model. Finally, the comparisons between numerical and experimental results are presented in order to validate the present methodology.

  11. Comparing Methods of Calculating Expected Annual Damage in Urban Pluvial Flood Risk Assessments

    DEFF Research Database (Denmark)

    Skovgård Olsen, Anders; Zhou, Qianqian; Linde, Jens Jørgen;

    2015-01-01

    Estimating the expected annual damage (EAD) due to flooding in an urban area is of great interest for urban water managers and other stakeholders. It is a strong indicator for a given area showing how vulnerable it is to flood risk and how much can be gained by implementing e.g., climate change...... adaptation measures. This study identifies and compares three different methods for estimating the EAD based on unit costs of flooding of urban assets. One of these methods was used in previous studies and calculates the EAD based on a few extreme events by assuming a log-linear relationship between cost...... in the damage costs as a function of the return period. The shift occurs approximately at the 10 year return period and can perhaps be related to the design criteria for sewer systems. Further, it was tested if the EAD estimation could be simplified by assuming a single unit cost per flooded area. The results...

  12. A finite-volume numerical method to calculate fluid forces and rotordynamic coefficients in seals

    Science.gov (United States)

    Athavale, M. M.; Przekwas, A. J.; Hendricks, R. C.

    1992-01-01

    A numerical method to calculate rotordynamic coefficients of seals is presented. The flow in a seal is solved by using a finite-volume formulation of the full Navier-Stokes equations with appropriate turbulence models. The seal rotor is perturbed along a diameter such that the position of the rotor is a sinusoidal function of time. The resulting flow domain changes with time, and the time-dependent flow in the seal is solved using a space conserving moving grid formulation. The time-varying fluid pressure reaction forces are then linked with the rotor center displacement, velocity and acceleration to yield the rotordynamic coefficients. Results for an annular seal are presented, and compared with experimental data and other more simplified numerical methods.

  13. A Quantitative Calculation Method of Composite Spatial Direction Similarity Concerning Scale Differences

    Directory of Open Access Journals (Sweden)

    CHEN Zhanlong

    2016-03-01

    Full Text Available This article introduces a new model for direction relations between multiple spatial objects at multiple scales and a corresponding similarity assessment method. The model is an improvement of direction relation matrix, which quantitatively models direction relations on object scale, and by the idea of decomposition and means of the optimum solution of the transportation problem to solve the minimum conversion cost between multiple direction matrices, namely distance between a pair of matrices, thus quantified the difference between a pair of directions, finally obtain the similarity values between arbitrary pairs of multiple spatial objects and compare the results. Experiments on calculating similarity between objects at different scales show that the presented method is efficient, accurate, and capable of obtaining results consistent with human cognition.

  14. Molecular dynamics simulation method for calculating fluence-dependent range profiles

    CERN Document Server

    Peltola, J; Keinonen, J

    2003-01-01

    Molecular dynamics has proven to be successful in calculating range profiles for low energy (keV) ions implanted into crystalline materials. However, for high fluences the structure of the material changes during the implantation process. The crystalline material becomes amorphized, which changes the range profiles. This damage build-up process has usually been taken into account with probabilities for changing the crystal structure during the simulation, and typically only BCA methods have been used. We present a fast MD method that simulates the damage build-up process in silicon, without bringing any free parameters to the simulation. Damage accumulation during the implantation is simulated by changing the material structure in front of path of the incoming ion. The amorphization level at each depth is proportional to the nuclear deposited energy in that depth region. The amorphization states are obtained from MD simulations of cascade damage. Silicon was used as a target material because of the large amou...

  15. Improved Accuracy of the Inherent Shrinkage Method for Fast and More Reliable Welding Distortion Calculations

    Science.gov (United States)

    Mendizabal, A.; González-Díaz, J. B.; San Sebastián, M.; Echeverría, A.

    2016-07-01

    This paper describes the implementation of a simple strategy adopted for the inherent shrinkage method (ISM) to predict welding-induced distortion. This strategy not only makes it possible for the ISM to reach accuracy levels similar to the detailed transient analysis method (considered the most reliable technique for calculating welding distortion) but also significantly reduces the time required for these types of calculations. This strategy is based on the sequential activation of welding blocks to account for welding direction and transient movement of the heat source. As a result, a significant improvement in distortion prediction is achieved. This is demonstrated by experimentally measuring and numerically analyzing distortions in two case studies: a vane segment subassembly of an aero-engine, represented with 3D-solid elements, and a car body component, represented with 3D-shell elements. The proposed strategy proves to be a good alternative for quickly estimating the correct behaviors of large welded components and may have important practical applications in the manufacturing industry.

  16. A practical example of uncertainty calculation for a metering station - conventional and new methods

    Energy Technology Data Exchange (ETDEWEB)

    Midttveit, Oe.; Nilsson, J. [Christian Michelsen Research, Bergen (Norway)

    1997-07-01

    The principles and results of a ''conventional'' uncertainty analysis provided by a major supplier of metering systems, are briefly presented. Temperature, pressure, density and gross observed volume are considered. The basis of the results are real data and instrument specifications of a metering package delivery to a field development in the North Sea. Thereafter, the Guide procedure which is referred to as the ''new'' method, has been applied for calculating the uncertainty of the same quantities based on the same vendor specified instrument uncertainties and process condition at the oil export station. The results indicate that different uncertainty estimates are achieved by a conventional approach and an alternative one rested on the principles of the ISO Guide. The main reason for the difference is that the conventional method does not take the sensitivity coefficients of the different variables sufficiently into account, in addition to some inconsistent calculations of the relative uncertainty of some of the input quantities. (author)

  17. Calculation of Credit Valuation Adjustment Based on Least Square Monte Carlo Methods

    Directory of Open Access Journals (Sweden)

    Qian Liu

    2015-01-01

    Full Text Available Counterparty credit risk has become one of the highest-profile risks facing participants in the financial markets. Despite this, relatively little is known about how counterparty credit risk is actually priced mathematically. We examine this issue using interest rate swaps. This largely traded financial product allows us to well identify the risk profiles of both institutions and their counterparties. Concretely, Hull-White model for rate and mean-reverting model for default intensity have proven to be in correspondence with the reality and to be well suited for financial institutions. Besides, we find that least square Monte Carlo method is quite efficient in the calculation of credit valuation adjustment (CVA, for short as it avoids the redundant step to generate inner scenarios. As a result, it accelerates the convergence speed of the CVA estimators. In the second part, we propose a new method to calculate bilateral CVA to avoid double counting in the existing bibliographies, where several copula functions are adopted to describe the dependence of two first to default times.

  18. Calculation method of sliding ratios for conjugate-curve gear pair and its application

    Institute of Scientific and Technical Information of China (English)

    梁栋; 陈兵奎; 高艳娥

    2015-01-01

    The calculation method of sliding ratios for conjugate-curve gear pair, generated based on the theory of conjugate curves, is proposed. The theoretical model of conjugate-curve gear drive is briefly introduced. The general calculation formulas of sliding ratios are developed according to the conjugate curves. The applications to the circular arc gears based on conjugate curves and the novel involute-helix gears are studied. A comparison on the sliding coefficient with the conventional corresponding gear drive is also carried out. The influences of gear parameters such as spiral parameter, gear ratio and modulus on the sliding ratios of gear drive are discussed. Brief description of manufacturing method for conjugate-curve gear pair is given. The research results show that the sliding ratios of gear pair become smaller with the increase of spiral parameter and gear ratio, respectively. And it will be greater with the increase of modulus for the tooth profiles. The meshing characteristics of conjugate-curve gears are further reflected and the optimization design of tooth profiles with high performance may be obtained.

  19. An approach of sensitivity and uncertainty analyses methods installation in a safety calculation

    Energy Technology Data Exchange (ETDEWEB)

    Pepin, G.; Sallaberry, C. [Agence nationale pour la gestion des dechets radioactifs (Andra), DS/CS, 92 - Chatenay-Malabry (France)

    2003-07-01

    Simulation of the migration in deep geological formations leads to solve convection-diffusion equations in porous media, associated with the computation of hydrogeologic flow. Different time-scales (simulation during 1 million years), scales of space, contrasts of properties in the calculation domain, are taken into account. This document deals more particularly with uncertainties on the input data of the model. These uncertainties are taken into account in total analysis with the use of uncertainty and sensitivity analysis. ANDRA (French national agency for the management of radioactive wastes) carries out studies on the treatment of input data uncertainties and their propagation in the models of safety, in order to be able to quantify the influence of input data uncertainties of the models on the various indicators of safety selected. The step taken by ANDRA consists initially of 2 studies undertaken in parallel: - the first consists of an international review of the choices retained by ANDRA foreign counterparts to carry out their uncertainty and sensitivity analysis, - the second relates to a review of the various methods being able to be used in sensitivity and uncertainty analysis in the context of ANDRA's safety calculations. Then, these studies are supplemented by a comparison of the principal methods on a test case which gathers all the specific constraints (physical, numerical and data-processing) of the problem studied by ANDRA.

  20. Hybrid parallel code acceleration methods in full-core reactor physics calculations

    Energy Technology Data Exchange (ETDEWEB)

    Courau, T.; Plagne, L.; Ponicot, A. [EDF R and D, 1, Avenue du General de Gaulle, 92141 Clamart Cedex (France); Sjoden, G. [Nuclear and Radiological Engineering, Georgia Inst. of Technology, Atlanta, GA 30332 (United States)

    2012-07-01

    When dealing with nuclear reactor calculation schemes, the need for three dimensional (3D) transport-based reference solutions is essential for both validation and optimization purposes. Considering a benchmark problem, this work investigates the potential of discrete ordinates (Sn) transport methods applied to 3D pressurized water reactor (PWR) full-core calculations. First, the benchmark problem is described. It involves a pin-by-pin description of a 3D PWR first core, and uses a 8-group cross-section library prepared with the DRAGON cell code. Then, a convergence analysis is performed using the PENTRAN parallel Sn Cartesian code. It discusses the spatial refinement and the associated angular quadrature required to properly describe the problem physics. It also shows that initializing the Sn solution with the EDF SPN solver COCAGNE reduces the number of iterations required to converge by nearly a factor of 6. Using a best estimate model, PENTRAN results are then compared to multigroup Monte Carlo results obtained with the MCNP5 code. Good consistency is observed between the two methods (Sn and Monte Carlo), with discrepancies that are less than 25 pcm for the k{sub eff}, and less than 2.1% and 1.6% for the flux at the pin-cell level and for the pin-power distribution, respectively. (authors)

  1. Total molecular photoionization cross-sections by algebraic diagrammatic construction-Stieltjes-Lanczos method: Benchmark calculations

    Science.gov (United States)

    Ruberti, M.; Yun, R.; Gokhberg, K.; Kopelke, S.; Cederbaum, L. S.; Tarantelli, F.; Averbukh, V.

    2013-10-01

    In [K. Gokhberg, V. Vysotskiy, L. S. Cederbaum, L. Storchi, F. Tarantelli, and V. Averbukh, J. Chem. Phys. 130, 064104 (2009)] we introduced a new {L}2ab initio method for the calculation of total molecular photoionization cross-sections. The method is based on the ab initio description of discretized photoionized molecular states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. Here we establish the accuracy of the new technique by comparing the ADC-Lanczos-Stieltjes cross-sections in the valence ionization region to the experimental ones for a series of eight molecules of first row elements: HF, NH3, H2O, CO2, H2CO, CH4, C2H2, and C2H4. We find that the use of the second-order ADC technique [ADC(2)] that includes double electronic excitations leads to a substantial systematic improvement over the first-order method [ADC(1)] and to a good agreement with experiment for photon energies below 80 eV. The use of extended second-order ADC theory [ADC(2)x] leads to a smaller further improvement. Above 80 eV photon energy all three methods lead to significant deviations from the experimental values which we attribute to the use of Gaussian single-electron bases. Our calculations show that the ADC(2)-Lanczos-Stieltjes technique is a reliable and efficient ab initio tool for theoretical prediction of total molecular photo-ionization cross-sections in the valence region.

  2. Partition of unity finite element method for quantum mechanical materials calculations

    CERN Document Server

    Pask, John E

    2016-01-01

    The current state of the art for large-scale quantum-mechanical simulations is the planewave (PW) pseudopotential method, as implemented in codes such as VASP, ABINIT, and many others. However, since the PW method uses a global Fourier basis, with strictly uniform resolution at all points in space, it suffers from substantial inefficiencies in calculations involving atoms with localized states, such as first-row and transition-metal atoms, and requires significant nonlocal communications, which limit parallel efficiency. Real-space methods such as finite-differences and finite-elements have partially addressed both resolution and parallel-communications issues but have been plagued by one key disadvantage relative to PW: excessive number of degrees of freedom needed to achieve the required accuracies. We present a real-space partition of unity finite element (PUFE) method to solve the Kohn-Sham equations of density functional theory. In the PUFE method, we build the known atomic physics into the solution proc...

  3. Application of the first collision source method to CSNS target station shielding calculation

    Science.gov (United States)

    Zheng, Ying; Zhang, Bin; Chen, Meng-Teng; Zhang, Liang; Cao, Bo; Chen, Yi-Xue; Yin, Wen; Liang, Tian-Jiao

    2016-04-01

    Ray effects are an inherent problem of the discrete ordinates method. RAY3D, a functional module of ARES, which is a discrete ordinates code system, employs a semi-analytic first collision source method to mitigate ray effects. This method decomposes the flux into uncollided and collided components, and then calculates them with an analytical method and discrete ordinates method respectively. In this article, RAY3D is validated by the Kobayashi benchmarks and applied to the neutron beamline shielding problem of China Spallation Neutron Source (CSNS) target station. The numerical results of the Kobayashi benchmarks indicate that the solutions of DONTRAN3D with RAY3D agree well with the Monte Carlo solutions. The dose rate at the end of the neutron beamline is less than 10.83 μSv/h in the CSNS target station neutron beamline shutter model. RAY3D can effectively mitigate the ray effects and obtain relatively reasonable results. Supported by Major National S&T Specific Program of Large Advanced Pressurized Water Reactor Nuclear Power Plant (2011ZX06004-007), National Natural Science Foundation of China (11505059, 11575061), and the Fundamental Research Funds for the Central Universities (13QN34).

  4. Calculation of the piezoelectric and flexoelectric effects in nanowires using a decoupled finite element analysis method

    Science.gov (United States)

    Zhang, Zhiqiang; Geng, Dalong; Wang, Xudong

    2016-04-01

    A simple and effective decoupled finite element analysis method was developed for simulating both the piezoelectric and flexoelectric effects of zinc oxide (ZnO) and barium titanate (BTO) nanowires (NWs). The piezoelectric potential distribution on a ZnO NW was calculated under three deformation conditions (cantilever, three-point, and four-point bending) and compared to the conventional fully coupled method. The discrepancies of the electric potential maximums from these two methods were found very small, validating the accuracy and effectiveness of the decoupled method. Both ZnO and BTO NWs yielded very similar potential distributions. Comparing the potential distributions induced by the piezoelectric and flexoelectric effects, we identified that the middle segment of a four-point bending NW beam is the ideal place for measuring the flexoelectric coefficient, because the uniform parallel plate capacitor-like potential distribution in this region is exclusively induced by the flexoelectric effect. This decoupled method could provide a valuable guideline for experimental measurements of the piezoelectric effects and flexoelectric effects in the nanometer scale.

  5. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane

    Energy Technology Data Exchange (ETDEWEB)

    Mielke, Steven L., E-mail: slmielke@gmail.com, E-mail: truhlar@umn.edu; Truhlar, Donald G., E-mail: slmielke@gmail.com, E-mail: truhlar@umn.edu [Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. S.E., Minneapolis, Minnesota 55455-0431 (United States)

    2015-01-28

    We present an improved version of our “path-by-path” enhanced same path extrapolation scheme for Feynman path integral (FPI) calculations that permits rapid convergence with discretization errors ranging from O(P{sup −6}) to O(P{sup −12}), where P is the number of path discretization points. We also present two extensions of our importance sampling and stratified sampling schemes for calculating vibrational–rotational partition functions by the FPI method. The first is the use of importance functions for dihedral angles between sets of generalized Jacobi coordinate vectors. The second is an extension of our stratification scheme to allow some strata to be defined based only on coordinate information while other strata are defined based on both the geometry and the energy of the centroid of the Feynman path. These enhanced methods are applied to calculate converged partition functions by FPI methods, and these results are compared to ones obtained earlier by vibrational configuration interaction (VCI) calculations, both calculations being for the Jordan–Gilbert potential energy surface. The earlier VCI calculations are found to agree well (within ∼1.5%) with the new benchmarks. The FPI partition functions presented here are estimated to be converged to within a 2σ statistical uncertainty of between 0.04% and 0.07% for the given potential energy surface for temperatures in the range 300–3000 K and are the most accurately converged partition functions for a given potential energy surface for any molecule with five or more atoms. We also tabulate free energies, enthalpies, entropies, and heat capacities.

  6. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational-rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane.

    Science.gov (United States)

    Mielke, Steven L; Truhlar, Donald G

    2015-01-28

    We present an improved version of our "path-by-path" enhanced same path extrapolation scheme for Feynman path integral (FPI) calculations that permits rapid convergence with discretization errors ranging from O(P(-6)) to O(P(-12)), where P is the number of path discretization points. We also present two extensions of our importance sampling and stratified sampling schemes for calculating vibrational-rotational partition functions by the FPI method. The first is the use of importance functions for dihedral angles between sets of generalized Jacobi coordinate vectors. The second is an extension of our stratification scheme to allow some strata to be defined based only on coordinate information while other strata are defined based on both the geometry and the energy of the centroid of the Feynman path. These enhanced methods are applied to calculate converged partition functions by FPI methods, and these results are compared to ones obtained earlier by vibrational configuration interaction (VCI) calculations, both calculations being for the Jordan-Gilbert potential energy surface. The earlier VCI calculations are found to agree well (within ∼1.5%) with the new benchmarks. The FPI partition functions presented here are estimated to be converged to within a 2σ statistical uncertainty of between 0.04% and 0.07% for the given potential energy surface for temperatures in the range 300-3000 K and are the most accurately converged partition functions for a given potential energy surface for any molecule with five or more atoms. We also tabulate free energies, enthalpies, entropies, and heat capacities.

  7. Large uncertainty in soil carbon modelling related to carbon input calculation method

    Science.gov (United States)

    Keel, Sonja G.; Leifeld, Jens; Taghizadeh-Toosi, Arezoo; Oleson, Jørgen E.

    2016-04-01

    A model-based inventory for carbon (C) sinks and sources in agricultural soils is being established for Switzerland. As part of this project, five frequently used allometric equations that estimate soil C inputs based on measured yields are compared. To evaluate the different methods, we calculate soil C inputs for a long-term field trial in Switzerland. This DOK experiment (bio-Dynamic, bio-Organic, and conventional (German: Konventionell)) compares five different management systems, that are applied to identical crop rotations. Average calculated soil C inputs vary largely between allometric equations and range from 1.6 t C ha-1 yr-1 to 2.6 t C ha-1 yr-1. Among the most important crops in Switzerland, the uncertainty is largest for barley (difference between highest and lowest estimate: 3.0 t C ha-1 yr-1). For the unfertilized control treatment, the estimated soil C inputs vary less between allometric equations than for the treatment that received mineral fertilizer and farmyard manure. Most likely, this is due to the higher yields in the latter treatment, i.e. the difference between methods might be amplified because yields differ more. To evaluate the influence of these allometric equations on soil C dynamics we simulate the DOK trial for the years 1977-2004 using the model C-TOOL (Taghizadeh-Toosi et al. 2014) and the five different soil C input calculation methods. Across all treatments, C-TOOL simulates a decrease in soil C in line with the experimental data. This decline, however, varies between allometric equations (-2.4 t C ha-1 to -6.3 t C ha-1 for the years 1977-2004) and has the same order of magnitude as the difference between treatments. In summary, the method to estimate soil C inputs is identified as a significant source of uncertainty in soil C modelling. Choosing an appropriate allometric equation to derive the input data is thus a critical step when setting up a model-based national soil C inventory. References Taghizadeh-Toosi A et al. (2014) C

  8. A divide-and-conquer linear scaling three dimensional fragment method for large scale electronic structure calculations

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Lin-Wang; Zhao, Zhengji; Meza, Juan; Wang, Lin-Wang

    2008-07-11

    We present a new linear scaling ab initio total energy electronic structure calculation method based on the divide-and-conquer strategy. This method is simple to implement, easily to parallelize, and produces very accurate results when compared with the direct ab initio method. The method has been tested using up to 8,000 processors, and has been used to calculate nanosystems up to 15,000 atoms.

  9. Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.

    Science.gov (United States)

    Wang, Changhao; Nguyen, Peter H; Pham, Kevin; Huynh, Danielle; Le, Thanh-Binh Nancy; Wang, Hongli; Ren, Pengyu; Luo, Ray

    2016-10-15

    Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) methods have become widely adopted in estimating protein-ligand binding affinities due to their efficiency and high correlation with experiment. Here different computational alternatives were investigated to assess their impact to the agreement of MMPBSA calculations with experiment. Seven receptor families with both high-quality crystal structures and binding affinities were selected. First the performance of nonpolar solvation models was studied and it was found that the modern approach that separately models hydrophobic and dispersion interactions dramatically reduces RMSD's of computed relative binding affinities. The numerical setup of the Poisson-Boltzmann methods was analyzed next. The data shows that the impact of grid spacing to the quality of MMPBSA calculations is small: the numerical error at the grid spacing of 0.5 Å is already small enough to be negligible. The impact of different atomic radius sets and different molecular surface definitions was further analyzed and weak influences were found on the agreement with experiment. The influence of solute dielectric constant was also analyzed: a higher dielectric constant generally improves the overall agreement with experiment, especially for highly charged binding pockets. The data also showed that the converged simulations caused slight reduction in the agreement with experiment. Finally the direction of estimating absolute binding free energies was briefly explored. Upon correction of the binding-induced rearrangement free energy and the binding entropy lost, the errors in absolute binding affinities were also reduced dramatically when the modern nonpolar solvent model was used, although further developments were apparently necessary to further improve the MMPBSA methods. © 2016 Wiley Periodicals, Inc.

  10. Qualification of a Method to Calculate the Irrecoverable Pressure Loss in High Reynolds Number Piping Systems

    Energy Technology Data Exchange (ETDEWEB)

    Sigg, K. C.; Coffield, R. D.

    2002-09-01

    High Reynolds number test data has recently been reported for both single and multiple piping elbow design configurations at earlier ASME Fluid Engineering Division conferences. The data of these studies ranged up to a Reynolds number of 42 x 10[sup]6 which is significantly greater than that used to establish design correlations before the data was available. Many of the accepted design correlations, based on the lower Reynolds number data, date back as much as fifty years. The new data shows that these earlier correlations are extremely conservative for high Reynolds number applications. Based on the recent high Reynolds number information a new recommended method has been developed for calculating irrecoverable pressure loses in piping systems for design considerations such as establishing pump sizing requirements. This paper describes the recommended design approach and additional testing that has been performed as part of the qualification of the method. This qualification testing determined the irrecoverable pressure loss of a piping configuration that would typify a limiting piping section in a complicated piping network, i.e., multiple, tightly coupled, out-of-plane elbows in series under high Reynolds number flow conditions. The overall pressure loss measurements were then compared to predictions, which used the new methodology to assure that conservative estimates for the pressure loss (of the type used for pump sizing) were obtained. The recommended design methodology, the qualification testing and the comparison between the predictions and the test data are presented. A major conclusion of this study is that the recommended method for calculating irrecoverable pressure loss in piping systems is conservative yet significantly lower than predicted by early design correlations that were based on the extrapolation of low Reynolds number test data.

  11. Manual method for dose calculation in gynecologic brachytherapy; Metodo manual para o calculo de doses em braquiterapia ginecologica

    Energy Technology Data Exchange (ETDEWEB)

    Vianello, Elizabeth A.; Almeida, Carlos E. de [Instituto Nacional do Cancer, Rio de Janeiro, RJ (Brazil); Biaggio, Maria F. de [Universidade do Estado, Rio de Janeiro, RJ (Brazil)

    1998-09-01

    This paper describes a manual method for dose calculation in brachytherapy of gynecological tumors, which allows the calculation of the doses at any plane or point of clinical interest. This method uses basic principles of vectorial algebra and the simulating orthogonal films taken from the patient with the applicators and dummy sources in place. The results obtained with method were compared with the values calculated with the values calculated with the treatment planning system model Theraplan and the agreement was better than 5% in most cases. The critical points associated with the final accuracy of the proposed method is related to the quality of the image and the appropriate selection of the magnification factors. This method is strongly recommended to the radiation oncology centers where are no treatment planning systems available and the dose calculations are manually done. (author) 10 refs., 5 figs.

  12. Radioactivity in food and the environment: calculations of UK radiation doses using integrated assessment methods

    Energy Technology Data Exchange (ETDEWEB)

    Camplin, W C; Brownless, G P; Round, G D; Winpenny, K; Hunt, G J [Centre for Environment, Fisheries and Aquaculture Science, CEFAS Laboratory, Lowestoft (United Kingdom)

    2002-12-01

    A new method for estimating radiation doses to UK critical groups is proposed for discussion. Amongst others, the Food Standards Agency (FSA) and the Scottish Environment Protection Agency (SEPA) undertake surveillance of UK food and the environment as a check on the effect of discharges of radioactive wastes. Discharges in gaseous and liquid form are made under authorisation by the Environment Agency and SEPA under powers in the Radioactive Substance Act. Results of surveillance by the FSA and SEPA are published in the Radioactivity in Food and the Environment (RIFE) report series. In these reports, doses to critical groups are normally estimated separately for gaseous and liquid discharge pathways. Simple summation of these doses would tend to overestimate doses actually received. Three different methods of combining the effects of both types of discharge in an integrated assessment are considered and ranked according to their ease of application, transparency, scientific rigour and presentational issues. A single integrated assessment method is then chosen for further study. Doses are calculated for surveillance data for the calendar year 2000 and compared with those from the existing RIFE method.

  13. The Density Matrix Renormalization Group Method and Large-Scale Nuclear Shell-Model Calculations

    CERN Document Server

    Dimitrova, S S; Pittel, S; Stoitsov, M V

    2002-01-01

    The particle-hole Density Matrix Renormalization Group (p-h DMRG) method is discussed as a possible new approach to large-scale nuclear shell-model calculations. Following a general description of the method, we apply it to a class of problems involving many identical nucleons constrained to move in a single large j-shell and to interact via a pairing plus quadrupole interaction. A single-particle term that splits the shell into degenerate doublets is included so as to accommodate the physics of a Fermi surface in the problem. We apply the p-h DMRG method to this test problem for two $j$ values, one for which the shell model can be solved exactly and one for which the size of the hamiltonian is much too large for exact treatment. In the former case, the method is able to reproduce the exact results for the ground state energy, the energies of low-lying excited states, and other observables with extreme precision. In the latter case, the results exhibit rapid exponential convergence, suggesting the great promi...

  14. Benchmarking the DFT+U method for thermochemical calculations of uranium molecular compounds and solids.

    Science.gov (United States)

    Beridze, George; Kowalski, Piotr M

    2014-12-18

    Ability to perform a feasible and reliable computation of thermochemical properties of chemically complex actinide-bearing materials would be of great importance for nuclear engineering. Unfortunately, density functional theory (DFT), which on many instances is the only affordable ab initio method, often fails for actinides. Among various shortcomings, it leads to the wrong estimate of enthalpies of reactions between actinide-bearing compounds, putting the applicability of the DFT approach to the modeling of thermochemical properties of actinide-bearing materials into question. Here we test the performance of DFT+U method--a computationally affordable extension of DFT that explicitly accounts for the correlations between f-electrons - for prediction of the thermochemical properties of simple uranium-bearing molecular compounds and solids. We demonstrate that the DFT+U approach significantly improves the description of reaction enthalpies for the uranium-bearing gas-phase molecular compounds and solids and the deviations from the experimental values are comparable to those obtained with much more computationally demanding methods. Good results are obtained with the Hubbard U parameter values derived using the linear response method of Cococcioni and de Gironcoli. We found that the value of Coulomb on-site repulsion, represented by the Hubbard U parameter, strongly depends on the oxidation state of uranium atom. Last, but not least, we demonstrate that the thermochemistry data can be successfully used to estimate the value of the Hubbard U parameter needed for DFT+U calculations.

  15. A rapid method for calculating maximal and minimal inter-satellite distances

    Science.gov (United States)

    Zhang, Yulin; Dang, Zhaohui; Fan, Li; Wang, Zhaokui

    2017-01-01

    This paper proposes a method to rapidly and effectively calculate the maximal and minimal distances between a pair of satellites in which the leader is in an elliptic orbit. The principal idea of this method is simplifying the nonlinear squared distance function into a Taylor series with limited orders and further fitting the trigonometric functions in the derivative function of the simplified squared distance by piece-wise quadratic polynomials. By solving the zero-crossing points of the fitted quadratic curve, the critical points of the original nonlinear distance function are approximately determined. It turns out that the accuracy of the obtained solutions of the extreme distances depends on the number of intervals of the polynomial fitting. The bigger the number of intervals is, the better the accuracy. However, it is also noticed that the number of intervals is not necessary too big. For real applications a small value (e.g. 8) may be enough for the number of intervals. Besides, the method is apparently more effective for the small eccentricity cases. Finally, some simulations are further carried out to demonstrate the performances of this new method.

  16. An exploratory study of a finite difference method for calculating unsteady transonic potential flow

    Science.gov (United States)

    Bennett, R. M.; Bland, S. R.

    1979-01-01

    A method for calculating transonic flow over steady and oscillating airfoils was developed by Isogai. The full potential equation is solved with a semi-implicit, time-marching, finite difference technique. Steady flow solutions are obtained from time asymptotic solutions for a steady airfoil. Corresponding oscillatory solutions are obtained by initiating an oscillation and marching in time for several cycles until a converged periodic solution is achieved. The method is described in general terms and results for the case of an airfoil with an oscillating flap are presented for Mach numbers 0.500 and 0.875. Although satisfactory results are obtained for some reduced frequencies, it is found that the numerical technique generates spurious oscillations in the indicial response functions and in the variation of the aerodynamic coefficients with reduced frequency. These oscillations are examined with a dynamic data reduction method to evaluate their effects and trends with reduced frequency and Mach number. Further development of the numerical method is needed to eliminate these oscillations.

  17. LDA + GTB (generalized tight-binding) method for the electronic structure calculations of strongly correlated electron systems: Application for the band structure calculations of p-type cuprates

    Energy Technology Data Exchange (ETDEWEB)

    Korshunov, Maxim M. [L.V. Kirensky Institute of Physics, Siberian Branch of RAS, Akademgorodok, 660036 Krasnoyarsk (Russian Federation); Max-Planck-Institut fuer Physik komplexer Systeme, Noethnitzer Str. 38, D-01187 Dresden (Germany)], E-mail: maxim@mpipks-dresden.mpg.de; Ovchinnikov, Sergey G. [Max-Planck-Institut fuer Physik komplexer Systeme, Noethnitzer Str. 38, D-01187 Dresden (Germany)

    2007-09-01

    Mean-field theory of the non-superconducting phase of the high-T{sub c} cuprates is formulated within the effective t-t'-t''-J model with three-site correlated hoppings. This model with the ab initio calculated parameters results from the LDA + GTB method. The static spin and kinematical correlation functions beyond Hubbard I approximation are calculated self-consistently taking into account hoppings to the first, the second, and the third neighboring sites, as well as the three-site correlated hoppings. The obtained Fermi surface evolves from hole-pockets at low-doping to large hole-type Fermi surface at higher doping concentrations. Calculated doping dependence of the nodal Fermi velocity, the effective mass and the chemical potential shift are in good agreement with experimental data.

  18. Finite-element method for calculation of the effective permittivity of random inhomogeneous media

    Science.gov (United States)

    Myroshnychenko, Viktor; Brosseau, Christian

    2005-01-01

    The challenge of designing new solid-state materials from calculations performed with the help of computers applied to models of spatial randomness has attracted an increasing amount of interest in recent years. In particular, dispersions of particles in a host matrix are scientifically and technologically important for a variety of reasons. Herein, we report our development of an efficient computer code to calculate the effective (bulk) permittivity of two-phase disordered composite media consisting of hard circular disks made of a lossless dielectric (permittivity ɛ2 ) randomly placed in a plane made of a lossless homogeneous dielectric (permittivity ɛ1 ) at different surface fractions. Specifically, the method is based on (i) a finite-element description of composites in which both the host and the randomly distributed inclusions are isotropic phases, and (ii) an ordinary Monte Carlo sampling. Periodic boundary conditions are employed throughout the simulation and various numbers of disks have been considered in the calculations. From this systematic study, we show how the number of Monte Carlo steps needed to achieve equilibrated distributions of disks increases monotonically with the surface fraction. Furthermore, a detailed study is made of the dependence of the results on a minimum separation distance between disks. Numerical examples are presented to connect the macroscopic property such as the effective permittivity to microstructural characteristics such as the mean coordination number and radial distribution function. In addition, several approximate effective medium theories, exact bounds, exact results for two-dimensional regular arrays, and the exact dilute limit are used to test and validate the finite-element algorithm. Numerical results indicate that the fourth-order bounds provide an excellent estimate of the effective permittivity for a wide range of surface fractions, in accordance with the fact that the bounds become progressively narrower as

  19. Methods, software and datasets to verify DVH calculations against analytical values: Twenty years late(r)

    Energy Technology Data Exchange (ETDEWEB)

    Nelms, Benjamin [Canis Lupus LLC, Merrimac, Wisconsin 53561 (United States); Stambaugh, Cassandra [Department of Physics, University of South Florida, Tampa, Florida 33612 (United States); Hunt, Dylan; Tonner, Brian; Zhang, Geoffrey; Feygelman, Vladimir, E-mail: vladimir.feygelman@moffitt.org [Department of Radiation Oncology, Moffitt Cancer Center, Tampa, Florida 33612 (United States)

    2015-08-15

    Purpose: The authors designed data, methods, and metrics that can serve as a standard, independent of any software package, to evaluate dose-volume histogram (DVH) calculation accuracy and detect limitations. The authors use simple geometrical objects at different orientations combined with dose grids of varying spatial resolution with linear 1D dose gradients; when combined, ground truth DVH curves can be calculated analytically in closed form to serve as the absolute standards. Methods: DICOM RT structure sets containing a small sphere, cylinder, and cone were created programmatically with axial plane spacing varying from 0.2 to 3 mm. Cylinders and cones were modeled in two different orientations with respect to the IEC 1217 Y axis. The contours were designed to stringently but methodically test voxelation methods required for DVH. Synthetic RT dose files were generated with 1D linear dose gradient and with grid resolution varying from 0.4 to 3 mm. Two commercial DVH algorithms—PINNACLE (Philips Radiation Oncology Systems) and PlanIQ (Sun Nuclear Corp.)—were tested against analytical values using custom, noncommercial analysis software. In Test 1, axial contour spacing was constant at 0.2 mm while dose grid resolution varied. In Tests 2 and 3, the dose grid resolution was matched to varying subsampled axial contours with spacing of 1, 2, and 3 mm, and difference analysis and metrics were employed: (1) histograms of the accuracy of various DVH parameters (total volume, D{sub max}, D{sub min}, and doses to % volume: D99, D95, D5, D1, D0.03 cm{sup 3}) and (2) volume errors extracted along the DVH curves were generated and summarized in tabular and graphical forms. Results: In Test 1, PINNACLE produced 52 deviations (15%) while PlanIQ produced 5 (1.5%). In Test 2, PINNACLE and PlanIQ differed from analytical by >3% in 93 (36%) and 18 (7%) times, respectively. Excluding D{sub min} and D{sub max} as least clinically relevant would result in 32 (15%) vs 5 (2

  20. Absorbed Dose Calculations Using Mesh-based Human Phantoms And Monte Carlo Methods

    Science.gov (United States)

    Kramer, Richard

    2011-08-01

    Health risks attributable to the exposure to ionizing radiation are considered to be a function of the absorbed or equivalent dose to radiosensitive organs and tissues. However, as human tissue cannot express itself in terms of equivalent dose, exposure models have to be used to determine the distribution of equivalent dose throughout the human body. An exposure model, be it physical or computational, consists of a representation of the human body, called phantom, plus a method for transporting ionizing radiation through the phantom and measuring or calculating the equivalent dose to organ and tissues of interest. The FASH2 (Female Adult meSH) and the MASH2 (Male Adult meSH) computational phantoms have been developed at the University of Pernambuco in Recife/Brazil based on polygon mesh surfaces using open source software tools and anatomical atlases. Representing standing adults, FASH2 and MASH2 have organ and tissue masses, body height and body mass adjusted to the anatomical data published by the International Commission on Radiological Protection for the reference male and female adult. For the purposes of absorbed dose calculations the phantoms have been coupled to the EGSnrc Monte Carlo code, which can transport photons, electrons and positrons through arbitrary media. This paper reviews the development of the FASH2 and the MASH2 phantoms and presents dosimetric applications for X-ray diagnosis and for prostate brachytherapy.

  1. Low-lying electronic states of CuN calculated by MRCI method

    Science.gov (United States)

    Zhang, Shu-Dong; Liu, Chao

    2016-10-01

    The high accuracy ab initio calculation method of multi-reference configuration interaction (MRCI) is used to compute the low-lying eight electronic states of CuN. The potential energy curves (PECs) of the X3Σ-, 13Π, 23Σ-, 13Δ, 11Δ, 11Σ-, 11Π, and 5Σ- in a range of R = 0.1 nm-0.5 nm are obtained and they are goodly asymptotes to the Cu(2Sg) + N(4Su) and Cu(2Sg) + N(2Du) dissociation limits. All the possible vibrational levels, rotational constants, and spectral constants for the six bound states of X3Σ-, 13Π, 23Σ-, 11Δ, 11Σ-, and 11Π are obtained by solving the radial Schrödinger equation of nuclear motion with the Le Roy provided Level8.0 program. Also the transition dipole moments from the ground state X3Σ- to the excited states 13Π and 23Σ- are calculated and the result indicates that the 23Σ--X3Σ- transition has a much higher transition dipole moment than the 13Π-X3Σ- transition even though the 13Π state is much lower in energy than the 23Σ- state.

  2. METHOD TO CALCULATE STRESS INTENSITY FACTOR OF V-NOTCH IN BI-MATERIALS

    Institute of Scientific and Technical Information of China (English)

    Youtang Li; Ming Song

    2008-01-01

    Based on Zak's stress function,the eigen-equation of stress singularity of bi-materials with a Ⅴ-notch was obtained.A new definition of stress intensity factor for a perpendicular inter facial Ⅴ-notch of bi-material was put forward.The effects of shear modulus and Poisson's ratio of the matrix material and attaching material on eigen-values were analyzed.A generalized ex pression for calculating KI of the perpendicular V-notch of bi-materials was obtained by means of stress extrapolation.Effects of notch depth,notch angle and Poisson's ratio of materials on the singular stress field near the tip of the Ⅴ-notch were analyzed systematically with numerical simulations.As an example,a finite plate with double edge notches under uniaxial uniform ten sion was calculated by the method presented and the influence of the notch angle and Poisson's ratio on the stress singularity near the tip of notch was obtained.

  3. Efficient Method for Calculating the Composite Stiffness of Parabolic Leaf Springs with Variable Stiffness for Vehicle Rear Suspension

    Directory of Open Access Journals (Sweden)

    Wen-ku Shi

    2016-01-01

    Full Text Available The composite stiffness of parabolic leaf springs with variable stiffness is difficult to calculate using traditional integral equations. Numerical integration or FEA may be used but will require computer-aided software and long calculation times. An efficient method for calculating the composite stiffness of parabolic leaf springs with variable stiffness is developed and evaluated to reduce the complexity of calculation and shorten the calculation time. A simplified model for double-leaf springs with variable stiffness is built, and a composite stiffness calculation method for the model is derived using displacement superposition and material deformation continuity. The proposed method can be applied on triple-leaf and multileaf springs. The accuracy of the calculation method is verified by the rig test and FEA analysis. Finally, several parameters that should be considered during the design process of springs are discussed. The rig test and FEA analytical results indicate that the calculated results are acceptable. The proposed method can provide guidance for the design and production of parabolic leaf springs with variable stiffness. The composite stiffness of the leaf spring can be calculated quickly and accurately when the basic parameters of the leaf spring are known.

  4. Dose calculation for asymmetric fields and irregular fields with multileaf collimators. Approximation of tissue-maximum ratio and field factor using modified Day`s calculation method

    Energy Technology Data Exchange (ETDEWEB)

    Nakata, Manabu; Okada, Takashi; Komai, Yoshinori; Nohara, Hiroki [Kyoto Univ. (Japan). Hospital

    1996-08-01

    Modern linear accelerators have four independent jaws and multileaf collimators (MLC) of 1 cm width at the isocenter. Asymmetric fields defined by such independent jaws and irregular multileaf collimated fields can be used to match adjacent fields or to spare the spinal cord in external photon beam radiotherapy. We have developed a new approximate algorithm for depth dose calculations at the collimator rotation axis. The program is based on Clarkson`s principle, and uses a more accurate modification of Day`s method for asymmetric fields. Using this method, tissue-maximum ratios (TMR) and field factors of ten kinds of asymmetric fields and ten different irregular multileaf collimated fields were calculated and compared with the measured data for 6 MV and 15 MV photon beams. The dose accuracy with the general A/Pe method was about 3%, however, with the new modified Day`s method, accuracy was within 1.7% for TMR and 1.2% for field factors. The calculated TMR and field factors were found to be in good agreement with measurements for both the 6 MV and 15 MV photon beams. (author)

  5. Cooling load calculation by the radiant time series method - effect of solar radiation models

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Alexandre M.S. [Universidade Estadual de Maringa (UEM), PR (Brazil)], E-mail: amscosta@uem.br

    2010-07-01

    In this work was analyzed numerically the effect of three different models for solar radiation on the cooling load calculated by the radiant time series' method. The solar radiation models implemented were clear sky, isotropic sky and anisotropic sky. The radiant time series' method (RTS) was proposed by ASHRAE (2001) for replacing the classical methods of cooling load calculation, such as TETD/TA. The method is based on computing the effect of space thermal energy storage on the instantaneous cooling load. The computing is carried out by splitting the heat gain components in convective and radiant parts. Following the radiant part is transformed using time series, which coefficients are a function of the construction type and heat gain (solar or non-solar). The transformed result is added to the convective part, giving the instantaneous cooling load. The method was applied for investigate the influence for an example room. The location used was - 23 degree S and 51 degree W and the day was 21 of January, a typical summer day in the southern hemisphere. The room was composed of two vertical walls with windows exposed to outdoors with azimuth angles equals to west and east directions. The output of the different models of solar radiation for the two walls in terms of direct and diffuse components as well heat gains were investigated. It was verified that the clear sky exhibited the less conservative (higher values) for the direct component of solar radiation, with the opposite trend for the diffuse component. For the heat gain, the clear sky gives the higher values, three times higher for the peek hours than the other models. Both isotropic and anisotropic models predicted similar magnitude for the heat gain. The same behavior was also verified for the cooling load. The effect of room thermal inertia was decreasing the cooling load during the peak hours. On the other hand the higher thermal inertia values are the greater for the non peak hours. The effect

  6. Experimental method for calculation of effective doses in interventional radiology; Metodo experimental para calculo de dosis efectivas en radiologia intervencionista

    Energy Technology Data Exchange (ETDEWEB)

    Herraiz Lblanca, M. D.; Diaz Romero, F.; Casares Magaz, O.; Garrido Breton, C.; Catalan Acosta, A.; Hernandez Armas, J.

    2013-07-01

    This paper proposes a method that allows you to calculate the effective dose in any interventional radiology procedure using an anthropomorphic mannequin Alderson RANDO and dosimeters TLD 100 chip. This method has been applied to an angio Radiology procedure: the biliary drainage. The objectives that have been proposed are: to) put together a method that, on an experimental basis, allows to know dosis en organs to calculate effective dose in complex procedures and b) apply the method to the calculation of the effective dose of biliary drainage. (Author)

  7. A Simple Method for the Calculation of Lattice Energies of Inorganic Ionic Crystals Based on the Chemical Hardness.

    Science.gov (United States)

    Kaya, Savaş; Kaya, Cemal

    2015-09-08

    This paper presents a new technique for estimation of lattice energies of inorganic ionic compounds using a simple formula. This new method demonstrates the relationship between chemical hardness and lattice energies of ionic compounds. Here chemical hardness values of ionic compounds are calculated via our molecular hardness equation. The results obtained using the present method and comparisons made by considering experimental data and the results from other theoretical methods in the literature showed that the new method allows easy evaluation of lattice energies of inorganic ionic crystals without the need for ab initio calculations and complex calculations.

  8. Fast calculation method of computer generated hologram animation for viewpoint parallel shift and rotation using Fourier transform optical system.

    Science.gov (United States)

    Watanabe, Ryosuke; Yamaguchi, Kazuhiro; Sakamoto, Yuji

    2016-01-20

    Computer generated hologram (CGH) animations can be made by switching many CGHs on an electronic display. Some fast calculation methods for CGH animations have been proposed, but one for viewpoint movement has not been proposed. Therefore, we designed a fast calculation method of CGH animations for viewpoint parallel shifts and rotation. A Fourier transform optical system was adopted to expand the viewing angle. The results of experiments were that the calculation time of our method was over 6 times faster than that of the conventional method. Furthermore, the degradation in CGH animation quality was found to be sufficiently small.

  9. Applicability of n-vicinity method for calculation of free energy of Ising model

    Science.gov (United States)

    Kryzhanovsky, Boris; Litinskii, Leonid

    2017-02-01

    Here we apply the n-vicinity method of approximate calculation of the partition function to an Ising Model with the nearest neighbor interaction on D-dimensional hypercube lattice. We solve the equation of state for an arbitrary dimension D and analyze the behavior of the free energy. As expected, for large dimensions (D ≥ 3) the system demonstrates a phase transition of the second kind. In this case, we obtain a simple analytical expression for the critical value of the inverse temperature. When 3 ≤ D ≤ 7 this expression is in a very good agreement with the results of computer simulations. In the case of small dimensions (D = 1 , 2), there is a noticeable discrepancy with the known exact results.

  10. Numerical system utilising a Monte Carlo calculation method for accurate dose assessment in radiation accidents.

    Science.gov (United States)

    Takahashi, F; Endo, A

    2007-01-01

    A system utilising radiation transport codes has been developed to derive accurate dose distributions in a human body for radiological accidents. A suitable model is quite essential for a numerical analysis. Therefore, two tools were developed to setup a 'problem-dependent' input file, defining a radiation source and an exposed person to simulate the radiation transport in an accident with the Monte Carlo calculation codes-MCNP and MCNPX. Necessary resources are defined by a dialogue method with a generally used personal computer for both the tools. The tools prepare human body and source models described in the input file format of the employed Monte Carlo codes. The tools were validated for dose assessment in comparison with a past criticality accident and a hypothesized exposure.

  11. Effects of CT based Voxel Phantoms on Dose Distribution Calculated with Monte Carlo Method

    Institute of Scientific and Technical Information of China (English)

    Chen Chaobin; Huang Qunying; Wu Yican

    2005-01-01

    A few CT-based voxel phantoms were produced to investigate the sensitivity of Monte Carlo simulations of X-ray beam and electron beam to the proportions of elements and the mass densities of the materials used to express the patient's anatomical structure. The human body can be well outlined by air, lung, adipose, muscle, soft bone and hard bone to calculate the dose distribution with Monte Carlo method. The effects of the calibration curves established by using various CT scanners are not clinically significant based on our investigation. The deviation from the values of cumulative dose volume histogram derived from CT-based voxel phantoms is less than 1% for the given target.

  12. An hybrid method for the Arabic queries disambiguation to improve the relevance calculation in the IRS

    Directory of Open Access Journals (Sweden)

    Adil ENAANAI, Aziz SDIGUI DOUKKALI, El habib BENLAHMER

    2012-05-01

    Full Text Available In the information systems, the query’s expansion brings more benefices in the relevant documents extraction. However, the current expansion types are focused on the retrieve of the maximum of documents (reduce the silence. In Arabic, the queries are derived in many morphosemantical variants. Hence the diversity of the semantic interpretations that often creates a problem of ambiguity. Our objective is to prepare the Arabic request before its introduction to the document retrieval system. This type of preparation is based on pretreatment which makes morphological changes to the query by separating affixes of the words. Then, present all of morphosemantical derivatives as a first step to the lexical audit agent, and check the consistency between the words by the context parser. Finally we present a new method of semantic similarity based on the equivalence probability calculation between two words.

  13. An hybrid method for the Arabic queries disambiguation to improve the relevance calculation in the IRS

    Directory of Open Access Journals (Sweden)

    Adil Enaanai

    2012-05-01

    Full Text Available In this article, we introduced a new approach to facilitate the calculation of relevance in information research systems in Arabic langage. Our method is to remove the morphosemantic ambiguity due to agglutination, and lack of vocalization of the Arabic words. To do, we have proposed to transform words to semantic gene. The latter represent an accurate realization of the meaning of the word. They contain the type, the context, the definition and vocalized shape of all possible cases may be taken in the Arabic word. In our approach we consider all the possible meanings of the terms by applying a morphosemantic variation based on a recursive algorithm. Obtained variants are filtering by using of the sentence context, the user profile and the synthesis of an Arabic phrase rules. The result is a semantically coherent text ready to be used by an information search system.

  14. Global Trust Value Grading Calculation Method in P2P Network

    Directory of Open Access Journals (Sweden)

    Min Liu

    2014-01-01

    Full Text Available The paper has proposed that the global situation trust value doesn’t depend on any set of high trust nodes in a P2P network environment of grading calculating model. It has given its distributed implementation. This model introduces subtraction clustering method to a large-scale network is logically divided into a number of small networks, and re-organized as overlay network structure of the upper and lower levels, the iterative algorithms in parallel in a small-scale network. Global situation trust value of each node is obtained, the convergence of the iteration level synthesis iterations results. Theoretical analysis and simulation results show that, compared with the existing model, the model has improved greatly reduce the amount of computation and communication overhead, and accelerate the iterative convergence.

  15. Continuum discretization methods in a composite particle scattering off a nucleus: Benchmark calculations

    Science.gov (United States)

    Rubtsova, O. A.; Kukulin, V. I.; Moro, A. M.

    2008-09-01

    The direct comparison of two different continuum discretization methods toward the solution of a composite particle scattering off a nucleus is presented. The first approach—the continuum-discretized coupled-channel method—is based on the differential equation formalism, while the second one—the wave-packet continuum discretization method—uses the integral equation formulation for the composite-particle scattering problem. As benchmark calculations, we have chosen the deuteron off Ni58 target scattering (as a realistic illustrative example) at three different incident energies: high, middle, and low. Clear nonvanishing effects of closed inelastic channels at small and intermediate energies are established. The elastic cross sections found in both approaches are very close to each other for all three considered energies.

  16. A refined method for calculating paleotemperatures from linear correlations in bamboo coral carbon and oxygen isotopes

    Science.gov (United States)

    Saenger, Casey; Watkins, James M.

    2016-06-01

    Bamboo corals represent an emerging paleoclimate archive with the potential to record variability at intermediate depths throughout much of the global ocean. Realizing this potential has been complicated by biologically mediated vital effects, which are evident in linear correlations of skeletal carbon (δ13C) and oxygen (δ18O) isotope composition. Previous efforts to develop a bamboo coral δ18O paleothermometer by accounting for such vital effects have not been completely successful as they still rely on empirical calibrations that are offset from the temperature dependence of abiogenic experiments. Here we describe an approach that better corrects for bamboo coral vital effects and allows paleotemperatures to be calculated directly from the abiogenic temperature dependence. The success of the method lies in calculating apparent equilibrium carbon and oxygen isotope fractionation at the temperature, pH, and growth rate of each coral, as well as in the use of model II regressions. Rigorous propagation of uncertainty suggests typical errors of ±2-3°C, but in select cases errors as low as ±0.65°C can be achieved for densely sampled and strongly correlated data sets. This lower limit approaches the value attributed to uncertainty in pH and growth rate estimates alone, as predicted by a series of pseudoproxy experiments. The incorporation of isotopically light metabolic CO2 appears to be negligible in most Pacific corals, but may be significant in Atlantic specimens, potentially requiring an additional correction. The success of the method therefore hinges on how well complex environmental systems and biomineralization strategies are constrained, with the most reliable temperatures occurring when calcifying fluid pH, growth rate, and incorporation of metabolic carbon into skeletal calcite are constrained using multiple geochemical proxies.

  17. NEW METHOD FOR IMPROVED CALCULATIONS OF UNSTEADY COMPLEX FLOWS IN LARGE ARTERIES

    Institute of Scientific and Technical Information of China (English)

    A. Cheer; Harry A. Dwyer; T. Kim

    2011-01-01

    Using an improved computational fluid dynamics (CFD) method developed for highly unsteady three-dimensional flows,numerical simulations for oscillating flow cycles and detailed unsteady simulations of the flow and forces on the aortic vessels at the iliac bifurcation,for both healthy and diseased patients,are analyzed.Improvements in computational efficiency and acceleration in convergence are achieved by calculating both an unsteady pressure gradient which is due to fluid acceleration and a good global pressure field correction based on mass flow for the pressure Poisson equation.Applications of the enhanced method to oscillatory flow in curved pipes yield an order of magnitude increase in speed and efficiency,thus allowing the study of more complex flow problems such as flow through the mammalian abdominal aorta at the iliac arteries bifurcation.To analyze the large forces which can exist on stent graft of patients with abdominal aortic aneurysm (AAA) disease,a complete derivation of the force equations is presented.The accelerated numerical algorithm and the force equations derived are used to calculate flow and forces for two individuals whose geometry is obtained from CT data and whose respective blood pressure measurements are obtained experimentally.Although the use of endovascular stent grafts in diseased patients can alter vessel geometries,the physical characteristics of stents are still very different when compared to native blood vessels of healthy subjects.The geometry for the AAA stent graph patient studied in this investigation induced flows that resulted in large forces that are primarily caused by the blood pressure.These forces are also directly related to the flow cross-sectional area and the angle of the iliac arteries relative to the main descending aorta.Furthermore,the fluid flow is significantly disturbed in the diseased patient with large flow recirculation and stagnant regions which are not present for healthy subjects.

  18. The nucleonic matter LOCV calculations in a periodic box versus the FHNC method

    Energy Technology Data Exchange (ETDEWEB)

    Modarres, M., E-mail: mmodares@ut.ac.ir; Tafrihi, A.

    2013-10-23

    The lowest order constrained variational (LOCV) method is reformulated for a fixed number of nucleons in a period box (PBLOCV) with the inter-nucleon interactions such as the Bethe homework potential, v{sub B}, and the scalar (v{sub 4}) part of the Argonne interaction (Av{sub 8}{sup ′}){sub c(4)}. The two-body cluster approximation is used in the (PB)LOCV formalism to obtain the energy per particle subjected to the normalization constraint for an infinite (a finite) number of nucleons. It is shown that our (PB)LOCV results are reasonably consistent with those of Fantoni and Schmidt (Periodic-Box) Fermi HyperNetted Chain ((PB)FHNC) calculations. In addition, unlike the thermodynamic limit, it is found that the normalization constraint in the periodic box is not exactly satisfied. However, it is realized that, by increasing the number of particles, the value of normalization constraint in the periodic box improves. Therefore, the two-body cluster approximation in the PBLOCV method becomes more reliable in the larger periodic boxes than the smaller ones. On the other hand, the PBLOCV energy per particle approaches the corresponding LOCV prediction for the large number of particles. The anisotropic behavior of the PB two-body distribution function, which is one of the main point of this report, is discussed. Finally, it is found that the PBLOCV results, i.e. the total (two-body cluster) energy and the normalization constraint, similar to the PBFHNC calculations depend on the number of particles in the periodic box and this dependence principally becomes negligible for the large number of particles.

  19. An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

    Science.gov (United States)

    Yu, Hua-Gen

    2016-08-01

    We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using a multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH4 and H2CO are given, together with a comparison with previous results.

  20. Calculation of Cogging Force in Permanent Magnet Linear Motor Using Analytical and Finite Element Methods

    Directory of Open Access Journals (Sweden)

    MohammadReza Zare

    2010-12-01

    Full Text Available In permanent magnet (PM linear motor, there is force ripple, which is detrimental to positioning. This force ripple is mainly due to cogging force and mutual force ripple. These forces are affected by geometric parameters of brushless PM motor, such as width of magnet, height of magnet, shifted length of magnet pole, length and height of armature and slot width. If flux density distribution can be described by geometric parameters that are related to the force ripple and force ripple is described by the flux density distribution, the optimal design can be done by considering force ripple as cost function and geometric parameters as design variables. In this paper, at first, flux density distribution in the air gap is calculated by analytic solution of Laplace and Possion equations in the function of geometric parameters. Cogging force is obtained by integrating Maxwell stress tensor, which is described by flux density distribution, on slot face and end face of iron core of armature. Secondly, a finite element method is presented in order to compare the previous method with this method.

  1. Calculation of photon pulse height distribution using deterministic and Monte Carlo methods

    Science.gov (United States)

    Akhavan, Azadeh; Vosoughi, Naser

    2015-12-01

    Radiation transport techniques which are used in radiation detection systems comprise one of two categories namely probabilistic and deterministic. However, probabilistic methods are typically used in pulse height distribution simulation by recreating the behavior of each individual particle, the deterministic approach, which approximates the macroscopic behavior of particles by solution of Boltzmann transport equation, is being developed because of its potential advantages in computational efficiency for complex radiation detection problems. In current work linear transport equation is solved using two methods including collided components of the scalar flux algorithm which is applied by iterating on the scattering source and ANISN deterministic computer code. This approach is presented in one dimension with anisotropic scattering orders up to P8 and angular quadrature orders up to S16. Also, multi-group gamma cross-section library required for this numerical transport simulation is generated in a discrete appropriate form. Finally, photon pulse height distributions are indirectly calculated by deterministic methods that approvingly compare with those from Monte Carlo based codes namely MCNPX and FLUKA.

  2. Calculation of renal depth by conjugate-view method using dual-head gamma camera

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyun Mi; Suh, Tae Suk; Choe, Bo Young; Chung, Yong An; Kim, Sung Hoon; Chung, Soo Kyo; Lee, Hyoung Koo [College of Medicine, The Catholic Univ. of Korea, Seoul (Korea, Republic of)

    2001-12-01

    In this study, we developed a new method for the determination of renal depth with anterior and posterior renal scintigrams in a dual-head gamma camera, considering the attenuation factor e{sup -{mu}}{sup x} of the conjugate-view method. We developed abdomen and kidney phantoms to perform experiments using Technetium-99m dimercaptosuccinic acid ({sup 99m}Tc-DMSA). The phantom images were obtained by dual-head gamma camera equipped with low-energy, high-resolution, parallel-hole collimators (ICONf, Siemens). The equation was derived from the linear integration of emission {gamma}-ray considering attenuation from the posterior abdomen to the anterior abdomen phantom surface. The program for measurement was developed by Microsoft Visual C++ 6.0. Renal depths of the phantoms were derived from the derived equations and compared with the exact geometrical values. Differences between the measured and the calculated values were the range of 0.1 to 0.7 cm (0.029{+-} 0.15 cm, mean {+-}S. D.). The present study showed that the use of the derived equations for renal depth measurement, combined with quantitative planar imaging using duel-head gamma camera, could provide more accurate results for individual variation than the conventional method.

  3. A new curvature technique calculation for surface tension contribution in PLIC-VOF method

    Science.gov (United States)

    Martinez, J.-M.; Chesneau, X.; Zeghmati, B.

    2006-01-01

    The volume of fluid (VOF) methods have been used for numerous numerical simulations. Among these techniques used to define the moving interface, the piecewise linear interface reconstruction (PLIC-VOF) is one of the most accurate. A study of the superficial tension impact on two-phase flow with free surface is presented. A new method based on direct staggered grid is developped to include surface tension in PLIC-VOF. The new numerical curvature calculation method doesn't need smoothed colour function and leads to less “spurious current”. This technique is applied to the calculus of surface tension force in the case of the rise of air bubble in viscous liquid and the fall of liquid drop in the same liquid on free surface. Droplets, thin layer and capillarity waves are observed after the free surface rupture for different Bond number. The influence of surface tension calculus is then obvioused and when the drop hit the free surface, wavelets propagate toward the virtual boundaries imposed.

  4. Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus

    Science.gov (United States)

    Lisenko, S. A.; Kugeiko, M. M.

    2016-07-01

    We have developed a method for calculating the optical diffuse reflection coefficient for the ocular fundus, taking into account multiple scattering of light in its layers (retina, epithelium, choroid) and multiple refl ection of light between layers. The method is based on the formulas for optical "combination" of the layers of the medium, in which the optical parameters of the layers (absorption and scattering coefficients) are replaced by some effective values, different for cases of directional and diffuse illumination of the layer. Coefficients relating the effective optical parameters of the layers and the actual values were established based on the results of a Monte Carlo numerical simulation of radiation transport in the medium. We estimate the uncertainties in retrieval of the structural and morphological parameters for the fundus from its diffuse reflectance spectrum using our method. We show that the simulated spectra correspond to the experimental data and that the estimates of the fundus parameters obtained as a result of solving the inverse problem are reasonable.

  5. A Quadrilateral Element-based Method for Calculation of Multi-scale Temperature Field

    Institute of Scientific and Technical Information of China (English)

    Sun Zhigang; Zhou Chaoxian; Gao Xiguang; Song Yingdong

    2010-01-01

    In the analysis of functionally graded materials (FGMs),the uncoupled approach is used broadly,which is based on homogenized material property and ignores the effect of local micro-structural interaction.The higher-order theory for FGMs (HOTFGM) is a coupled approach that explicitly takes the effect of micro-structural gradation and the local interaction of the spatially variable inclusion phase into account.Based on the HOTFGM,this article presents a quadrilateral element-based method for the calculation of multi-scale temperature field (QTF).In this method,the discrete cells are quadrilateral including rectangular while the surface-averaged quantities are the primary variables which replace the coefficients employed in the tem-perature function.In contrast with the HOTFGM,this method improves the efficiency,eliminates the restriction of being rectangular cells and expands the solution scale.The presented results illustrate the efficiency of the QTF and its advantages in analyzing FGMs.

  6. Preliminary study on CAD-based method of characteristics for neutron transport calculation

    CERN Document Server

    Chen, Zhen-Ping; Sun, Guang-Yao; Song, Jing; Hao, Li-Juan; Hu, Li-Qin; Wu, Yi-Can

    2013-01-01

    The method of characteristics (MOC) is widely used for neutron transport calculation in recent decades. However, the key problem determining whether MOC can be applied in highly heterogeneous geometry is how to combine an effective geometry modeling method with it. Most of the existing MOC codes conventionally describe the geometry model just by lines and arcs with extensive input data. Thus they have difficulty in geometry modeling and ray tracing for complicated geometries. In this study, a new method making use of a CAD-based automatic modeling tool MCAM which is a CAD/Image-based Automatic Modeling Program for Neutronics and Radiation Transport developed by FDS Team in China was introduced for geometry modeling and ray tracing of particle transport to remove those limitations. The diamond -difference scheme was applied to MOC to reduce the spatial discretization errors of the flat flux approximation. Based on MCAM and MOC, a new MOC code was developed and integrated into SuperMC system, whic h is a Super ...

  7. A Method Of Calculating Thermal Diffusivity And Conductivity For Irregularly Shaped Specimens In Laser Flash Analysis

    Directory of Open Access Journals (Sweden)

    Szałapak Jerzy

    2015-12-01

    Full Text Available The Low Temperature Joining Technique (LTJT using silver compounds enables to significantly increase the thermal conductivity between joined elements, which is much higher than for soldered joints. However, it also makes difficult to measure the thermal conductivity of the joint. The Laser Flash Analysis (LFA is a non-intrusive method of measuring the temperature rise of one surface of a specimen after excitation with a laser pulse of its other surface. The main limitation of the LFA method is its standard computer software, which assumes the dimensions of a bonded component to be similar to those of the substrate, because it uses the standard Parker’s formula dedicated for one-dimensional heat flow. In the paper a special design of measured specimen was proposed, consisting of two copper plates of different size joined with the sintered silver layer. It was shown that heat properties of these specimens can also be measured after modifying the LFA method. The authors adapted these specimens by masking the false heat signal sourced from the uncovered plate area. Another adaptation was introducing a correcting factor of the heat travel distance, which was calculated with heat-flow simulations and placed into the Parker’s formula. The heat-flow simulated data were compared with the real LFA measurement results, which enabled estimation of the joint properties, e.g. its porosity.

  8. Stiffeners in variational-difference method for calculating shells with complex geometry

    Directory of Open Access Journals (Sweden)

    Ivanov Vyacheslav Nikolaevich

    2014-05-01

    Full Text Available We have already considered an introduction of reinforcements in the variational-difference method (VDM of shells analysis with complex shape. At the moment only ribbed shells of revolution and shallow shells can be calculated with the help of developed analytical and finite-difference methods. Ribbed shells of arbitrary shape can be calculated only using the finite element method (FEM. However there are problems, when using FEM, which are absent in finite- and variational-difference methods: rigid body motion; conforming trial functions; parameterization of a surface; independent stress strain state. In this regard stiffeners are entered in VDM. VDM is based on the Lagrange principle - the principle of minimum total potential energy. Stress-strain state of ribs is described by the Kirchhoff-Clebsch theory of curvilinear bars: tension, bending and torsion of ribs are taken into account. Stress-strain state of shells is described by the Kirchhoff-Love theory of thin elastic shells. A position of points of the middle surface is defined by curvilinear orthogonal coordinates α, β. Curved ribs are situated along coordinate lines. Strain energy of ribs is added into the strain energy to account for ribs. A matrix form of strain energy of ribs is formed similar to a matrix form of the strain energy of the shell. A matrix of geometrical characteristics of a rib is formed from components of matrices of geometric characteristics of a shell. A matrix of mechanical characteristics of a rib contains rib’s eccentricity and geometrical characteristics of a rib’s section. Derivatives of displacements in the strain vector are replaced with finite-difference relations after the middle surface of a shell gets covered with a grid (grid lines coincide with the coordinate lines of principal curvatures. By this case the total potential energy functional becomes a function of strain nodal displacements. Partial derivatives of unknown nodal displacements are

  9. New method to calculate the mechanical properties of unirradiated fuel cladding from ring tensile tests

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Rengel, M.A. [Departamento de Ciencia de Materiales, UPM, E.T.S.I. Caminos, Canales y Puertos, Profesor Aranguren s/n, E-28040 Madrid (Spain); Consejo de Seguridad Nuclear (CSN), Justo Dorado 11, E-28040 Madrid (Spain); Gomez, F.J.; Ruiz-Hervias, J.; Caballero, L.; Valiente, A. [Departamento de Ciencia de Materiales, UPM, E.T.S.I. Caminos, Canales y Puertos, Profesor Aranguren s/n, E-28040 Madrid (Spain)

    2009-06-15

    Nuclear fuel cladding is the first barrier used to confine the fuel and the fission products produced during irradiation. Zirconium alloys are used for this purpose due to their remarkable neutron transparency, together with their good mechanical properties at operational temperatures. Consequently, it is very important to be able to characterize the mechanical response of the irradiated cladding. The mechanical behaviour of the material can be modelled as elastoplastic with different stress-strain curves depending on the direction: radial, hoop or longitudinal direction. The ring tensile test has been proposed to determine the mechanical properties of the cladding along the hoop direction. The initial test consisted of applying a force inside the tube, by means of two half cylinders. Later Arsene and Bai [1,2] modified the experimental device to avoid tube bending at the beginning of the test. The same authors proposed a numerical method to obtain the stress-strain curve in the hoop direction from the experimental load versus displacement results and a given friction coefficient between the loading pieces and the sample [3]. This method has been used by different authors [4] with slight modifications. It is based on the existence of two universal curves under small strain hypothesis: the first correlating the hoop strain and the displacement of the loading piece and the second one correlating the hoop stress and the applied load. In this work, a new method to determine the mechanical properties of the cladding from the ring tensile test results is proposed. Non-linear geometry is considered and an iterative procedure is proposed so universal curves are not needed. A stress-strain curve is determined by combining numerical calculations with experimental results in a convergent loop. The two universal curves proposed by Arsene and Bai [3] are substituted by two relationships, one between the equivalent plastic strain in the centre of the specimen ligament and the

  10. Projection methods for the calculation of incompressible or dilatable flows; Methodes de projection pour le calcul d'ecoulements incompressibles ou dilatables

    Energy Technology Data Exchange (ETDEWEB)

    Jobelin, M

    2006-10-15

    This thesis treats of time resolution methods for the Navier-Stokes equations. Based on the well-known projection method of Chorin and Temam, an original pressure correction method, named 'projection-penalty' is developed. Its specificity concerns the addition of a penalty term in the prediction step, which constrains the predicted velocity to fit with the mass balance. The precision improvements added by this method are demonstrated by some analysis results and by some numerical experiments of incompressible or dilatable flows. Finally, the potentialities offered by the use of the joint finite elements method in this type of fractionary step scheme is studied. Two applications are presented, one for local refinement purpose, the other for the resolution of a multi-physics problem. (J.S.)

  11. Method for stability analysis based on the Floquet theory and Vidyn calculations

    Energy Technology Data Exchange (ETDEWEB)

    Ganander, Hans

    2005-03-01

    This report presents the activity 3.7 of the STEM-project Aerobig and deals with aeroelastic stability of the complete wind turbine structure at operation. As a consequence of the increase of sizes of wind turbines dynamic couplings are being more important for loads and dynamic properties. The steady ambition to increase the cost competitiveness of wind turbine energy by using optimisation methods lowers design margins, which in turn makes questions about stability of the turbines more important. The main objective of the project is to develop a general stability analysis tool, based on the VIDYN methodology regarding the turbine dynamic equations and the Floquet theory for the stability analysis. The reason for selecting the Floquet theory is that it is independent of number of blades, thus can be used for 2 as well as 3 bladed turbines. Although the latter ones are dominating on the market, the former has large potential when talking about offshore large turbines. The fact that cyclic and individual blade pitch controls are being developed as a mean for reduction of fatigue also speaks for general methods as Floquet. The first step of a general system for stability analysis has been developed, the code VIDSTAB. Together with other methods, as the snap shot method, the Coleman transformation and the use of Fourier series, eigenfrequences and modes can be analysed. It is general with no restrictions on the number of blades nor the symmetry of the rotor. The derivatives of the aerodynamic forces are calculated numerically in this first version. Later versions would include state space formulations of these forces. This would also be the case for the controllers of turbine rotation speed, yaw direction and pitch angle.

  12. Comparison between two methods for forward calculation of ambient noise H/V spectral ratios

    Science.gov (United States)

    Garcia-Jerez, A.; Luzón, F.; Sanchez-Sesma, F. J.; Santoyo, M. A.; Albarello, D.; Lunedei, E.; Campillo, M.; Iturrarán-Viveros, U.

    2011-12-01

    The analysis of horizontal-to-vertical spectral ratios of ambient noise (NHVSR) is a valuable tool for seismic prospecting, particularly if both a dense spatial sampling and a low-cost procedure are required. Unfortunately, the computation method still lacks of a unanimously accepted theoretical basis and different approaches are currently being used for inversion of the ground structure from the measured H/V curves. Two major approaches for forward calculation of NHVSRs in a layered medium are compared in this work. The first one was developed by Arai and Tokimatsu (2004) and recently improved by Albarello and Lunedei (2011). It consists of a description of the wavefield as generated by Far Surface point Forces (FSF method). The second one is based on the work of Sánchez-Sesma et al. (2011) who consider ambient noise as a Diffuse WaveField (DWF method), taking advantage of the proportionality between its Fourier-transformed autocorrelation (power spectrum) and the imaginary part of the Green function when source and receiver are the same. In both methods, the NHVSR is written as (PH/PV)1/2, where PH and PV are the horizontal and vertical power spectra. In the FSF method these quantities are given by PV∝⊙m(1+1/2χm2α2)(ARm/kRm)2 PH∝⊙m{(1+1/2χm2α2)(ARm/kRm)2χm2+1/2α2(ALm/kLm)2} where kRm, χm and ARm are wavenumber, ellipticity and medium response of the m-th Rayleigh wave mode; kLm and ALm correspond to the m-th Love wave mode and α is the horizontal-to-vertical load ratio of the ambient noise sources. Some common factors are omitted in the expressions of PV and PH. On the other hand, the DWF method deals with the full wavefield including both surface and body waves. In order to make the comparison easier, and taking into account that surface waves are often the dominant components in wide spectral ranges, body wave contributions are neglected here. In this case, the PH and PV power spectra for the DWF method are reduced to the simple expressions: PV

  13. Dynamic characteristic of amitriptyline in water by ultrasonic relaxation method and molecular orbital calculation.

    Science.gov (United States)

    Nishikawa, Sadakatsu; Kamimura, Eri

    2011-02-03

    Ultrasonic absorption coefficients in the frequency range of 0.8-220 MHz have been measured in aqueous solution of amitriptyline (3-(10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-ylidene)-N,N-dimethyl-1-propanamine) in the concentration range from 0.20 to 0.60 mol dm(-3) at 25 °C. A single relaxational phenomenon has been observed, and the relaxation frequency is independent of the concentration. It has been also observed that the amplitude of the relaxational absorption increases linearly with the analytical concentration. From these ultrasonic relaxation data, it has been concluded that the relaxation is associated with a unimolecular reaction due to a conformational change of the solute molecule, such as a structural change due to a rotational motion of a group in the solute molecule. Molecular orbital semiempirical methods using AM1 (Austin model 1) and PM3 (modified neglect of diatomic overlap parametric method 3) have been applied to obtain the standard enthalpy of formation for amitriptyline molecule at various dihedral angles around one of the bonds in alkylamine side chain. The results have shown the two clear minimum standard enthalpies of formation for amitriptyline. From the difference of the two values, the standard enthalpy change between the two stable conformers has been calculated be 2.9 kJ mol(-1). On a rough assumption that the standard enthalpy change reflects the standard free energy change, the equilibrium constant for the rotational isomers has been estimated to be 0.31. Combining this value with the experimental ultrasonic relaxation frequency, the backward and forward rate constants have been evaluated. The standard enthalpy change of the reaction has been also estimated from the concentration dependence of the maximum absorption per wavelength, and it has been close to that calculated by the semiempirical methods. The ultrasonic absorption measurements have been also carried out in amitriptyline solution in the presence of

  14. A method for calculating damage evolution in adiabatic shear band of titanium alloy

    Institute of Scientific and Technical Information of China (English)

    WANG Xue-bin

    2009-01-01

    A method for calculating the evolution of the local damage variable at the adiabatic shear band (ASB) center was proposed. In the present method, the JOHNSON-COOK model and the nonlocal theory were adopted, and the damage variable formula applicable for the bilinear (linearly elastic and strain-softening) constitutive relation was further generalized to consider the plastic deformation occurring in the strain-hardening stage. Aiming at Ti-6Al-4V, the effect of strain rate on the evolution of the local damage variable at the ASB center was investigated. In addition, a parametric study was carried out, including the effects of strain-hardening exponent, strain rate sensitive coefficient, thermal-softening exponent, static shear strength, strain-hardening modulus, shear elastic modulus, work to heat conversion factor, melting temperature and initial temperature. The damage extent at the ASB center in the radial collapse experiment was assessed. It is found that at higher strain rates the damage in the ASB becomes more serious at the same average plastic shear strain of the ASB.

  15. An improved method for calculating self-motion coordinates for redundant manipulators

    Energy Technology Data Exchange (ETDEWEB)

    Reister, D.B.

    1997-04-01

    For a redundant manipulator, the objective of redundancy resolution is to follow a specified path in Cartesian space and simultaneously perform another task (for example, maximize an objective function or avoid obstacles) at every point along the path. The conventional methods have several drawbacks: a new function must be defined for each task, the extended Jacobian can be singular, closed cycles in Cartesian space may not yield closed cycles in joint space, and the objective is point-wise redundancy resolution (to determine a single point in joint space for each point in Cartesian space). The author divides the redundancy resolution problem into two parts: (1) calculate self-motion coordinates for all possible positions of a manipulator at each point along a Cartesian path and (2) determination of optimal self-motion coordinates that maximize an objective function along the path. This paper will discuss the first part of the problem. The path-wise approach overcomes all of the drawbacks of conventional redundancy resolution methods: no need to define a new function for each task, extended Jacobian cannot be singular, and closed cycles in extended Cartesian space will yield closed cycles in joint space.

  16. Calculating Methods of Inertia Moment of Turbo-Generator Rotor Using Load Rejection Test

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Calculated results of inertia moment of turbo-generator rotor can be quite different by methods used in load rejection tests. In view of fluctuation features of rotor speed rise curve during load rejection tests, the measurement principle of rotor inertia moment was expounded. Based on the measured data in load rejection tests for an imported type of domestic 300-MW generating unit, the rotor speed rise curve was fitted with three kinds of functions to get initial runup rate, but the obtained results differed a lot from each other. According to analysis on the mechanism of rotor speed rise, m=2 consecutive points averaging or FFT (Fast Fourier Transform) smoothing technology was introduced to process test data, and then the initial runup rate was determined by the method of linear fitting of rotor speed in the range of governing valve closing time. Although the obtained curves had a fluctuating shape, the results of rotor inertia moment for 50% and 100% load rejection tests were of good consistency.

  17. A practical method for calculating the corrosion rate of uniformly depassivated reinforcing bars in concrete

    Energy Technology Data Exchange (ETDEWEB)

    Ghods, P.; Isgor, O.B.; Pour-Ghaz, M. [Carleton University, Department of Civil and Environmental Engineering, Mackenzie Engineering Building, Ottawa, K1S 5B6 ON (Canada)

    2007-04-15

    The quantification of active corrosion rate of steel in concrete structures through nondestructive methods is a crucial task for scheduling maintenance/repair operations and for achieving accurate service life predictions. Measuring the polarization resistance of corroding systems and using the Stern-Geary equation to calculate the corrosion current density of active steel is a widely-used method for this purpose. However, these measurements are greatly influenced by environmental factors; therefore, accurate monitoring of corrosion requires integrating the instantaneous corrosion rates over time. Although advanced numerical models are helpful in research settings, they remain to be computationally expensive and complex to be adopted by general engineering community. In this paper, a practical numerical model for predicting corrosion rate of uniformly depassivated steel in concrete is developed. The model is built on Stern's earlier work that an optimum anode-to-cathode ratio exists for which the corrosion current on the metal surface reaches a maximum value. The developed model, which represents the corrosion rate as a function of concrete resistivity and oxygen concentration, is validated using experimental data obtained from the literature. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

  18. Study of plasma equilibrium in toroidal fusion devices using mesh-free numerical calculation method

    Science.gov (United States)

    Rasouli, C.; Abbasi Davani, F.; Rokrok, B.

    2016-08-01

    Plasma confinement using external magnetic field is one of the successful ways leading to the controlled nuclear fusion. Development and validation of the solution process for plasma equilibrium in the experimental toroidal fusion devices is the main subject of this work. Solution of the nonlinear 2D stationary problem as posed by the Grad-Shafranov equation gives quantitative information about plasma equilibrium inside the vacuum chamber of hot fusion devices. This study suggests solving plasma equilibrium equation which is essential in toroidal nuclear fusion devices, using a mesh-free method in a condition that the plasma boundary is unknown. The Grad-Shafranov equation has been solved numerically by the point interpolation collocation mesh-free method. Important features of this approach include truly mesh free, simple mathematical relationships between points and acceptable precision in comparison with the parametric results. The calculation process has been done by using the regular and irregular nodal distribution and support domains with different points. The relative error between numerical and analytical solution is discussed for several test examples such as small size Damavand tokamak, ITER-like equilibrium, NSTX-like equilibrium, and typical Spheromak.

  19. First-principles calculation method for electron transport based on the grid Lippmann-Schwinger equation.

    Science.gov (United States)

    Egami, Yoshiyuki; Iwase, Shigeru; Tsukamoto, Shigeru; Ono, Tomoya; Hirose, Kikuji

    2015-09-01

    We develop a first-principles electron-transport simulator based on the Lippmann-Schwinger (LS) equation within the framework of the real-space finite-difference scheme. In our fully real-space-based LS (grid LS) method, the ratio expression technique for the scattering wave functions and the Green's function elements of the reference system is employed to avoid numerical collapse. Furthermore, we present analytical expressions and/or prominent calculation procedures for the retarded Green's function, which are utilized in the grid LS approach. In order to demonstrate the performance of the grid LS method, we simulate the electron-transport properties of the semiconductor-oxide interfaces sandwiched between semi-infinite jellium electrodes. The results confirm that the leakage current through the (001)Si-SiO_{2} model becomes much larger when the dangling-bond state is induced by a defect in the oxygen layer, while that through the (001)Ge-GeO_{2} model is insensitive to the dangling bond state.

  20. DGDFT: A Massively Parallel Method for Large Scale Density Functional Theory Calculations

    CERN Document Server

    Hu, Wei; Yang, Chao

    2015-01-01

    We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) [J. Comput. Phys. 2012, 231, 2140] method, for efficient large-scale Kohn-Sham DFT based electronic structure calculations. The DGDFT method uses adaptive local basis (ALB) functions generated on-the-fly during the self-consistent field (SCF) iteration to represent the solution to the Kohn-Sham equations. The use of the ALB set provides a systematic way to improve the accuracy of the approximation. It minimizes the number of degrees of freedom required to represent the solution to the Kohn-Sham problem for a desired level of accuracy. In particular, DGDFT can reach the planewave accuracy with far fewer numbers of degrees of freedom. By using the pole expansion and selected inversion (PEXSI) technique to compute electron density, energy and atomic forces, we can make the computational complexity of DGDFT scale at most quadratically with respect to the number of electrons for both i...