WorldWideScience

Sample records for calculations computer

  1. Wakefield calculations on parallel computers

    International Nuclear Information System (INIS)

    Schoessow, P.

    1990-01-01

    The use of parallelism in the solution of wakefield problems is illustrated for two different computer architectures (SIMD and MIMD). Results are given for finite difference codes which have been implemented on a Connection Machine and an Alliant FX/8 and which are used to compute wakefields in dielectric loaded structures. Benchmarks on code performance are presented for both cases. 4 refs., 3 figs., 2 tabs

  2. Computer programs for lattice calculations

    International Nuclear Information System (INIS)

    Keil, E.; Reich, K.H.

    1984-01-01

    The aim of the workshop was to find out whether some standardisation could be achieved for future work in this field. A certain amount of useful information was unearthed, and desirable features of a ''standard'' program emerged. Progress is not expected to be breathtaking, although participants (practically from all interested US, Canadian and European accelerator laboratories) agreed that the mathematics of the existing programs is more or less the same. Apart from the NIH (not invented here) effect, there is a - to quite some extent understandable - tendency to stay with a program one knows and to add to it if unavoidable rather than to start using a new one. Users of the well supported program TRANSPORT (designed for beam line calculations) would prefer to have it fully extended for lattice calculations (to some extent already possible now), while SYNCH users wish to see that program provided with a user-friendly input, rather than spending time and effort for mastering a new program

  3. Computation cluster for Monte Carlo calculations

    International Nuclear Information System (INIS)

    Petriska, M.; Vitazek, K.; Farkas, G.; Stacho, M.; Michalek, S.

    2010-01-01

    Two computation clusters based on Rocks Clusters 5.1 Linux distribution with Intel Core Duo and Intel Core Quad based computers were made at the Department of the Nuclear Physics and Technology. Clusters were used for Monte Carlo calculations, specifically for MCNP calculations applied in Nuclear reactor core simulations. Optimization for computation speed was made on hardware and software basis. Hardware cluster parameters, such as size of the memory, network speed, CPU speed, number of processors per computation, number of processors in one computer were tested for shortening the calculation time. For software optimization, different Fortran compilers, MPI implementations and CPU multi-core libraries were tested. Finally computer cluster was used in finding the weighting functions of neutron ex-core detectors of VVER-440. (authors)

  4. Computation cluster for Monte Carlo calculations

    Energy Technology Data Exchange (ETDEWEB)

    Petriska, M.; Vitazek, K.; Farkas, G.; Stacho, M.; Michalek, S. [Dep. Of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information, Technology, Slovak Technical University, Ilkovicova 3, 81219 Bratislava (Slovakia)

    2010-07-01

    Two computation clusters based on Rocks Clusters 5.1 Linux distribution with Intel Core Duo and Intel Core Quad based computers were made at the Department of the Nuclear Physics and Technology. Clusters were used for Monte Carlo calculations, specifically for MCNP calculations applied in Nuclear reactor core simulations. Optimization for computation speed was made on hardware and software basis. Hardware cluster parameters, such as size of the memory, network speed, CPU speed, number of processors per computation, number of processors in one computer were tested for shortening the calculation time. For software optimization, different Fortran compilers, MPI implementations and CPU multi-core libraries were tested. Finally computer cluster was used in finding the weighting functions of neutron ex-core detectors of VVER-440. (authors)

  5. Parallel computational in nuclear group constant calculation

    International Nuclear Information System (INIS)

    Su'ud, Zaki; Rustandi, Yaddi K.; Kurniadi, Rizal

    2002-01-01

    In this paper parallel computational method in nuclear group constant calculation using collision probability method will be discuss. The main focus is on the calculation of collision matrix which need large amount of computational time. The geometry treated here is concentric cylinder. The calculation of collision probability matrix is carried out using semi analytic method using Beckley Naylor Function. To accelerate computation speed some computer parallel used to solve the problem. We used LINUX based parallelization using PVM software with C or fortran language. While in windows based we used socket programming using DELPHI or C builder. The calculation results shows the important of optimal weight for each processor in case there area many type of processor speed

  6. Popsicle Sticks, Computers, and Calculators: Important Considerations.

    Science.gov (United States)

    Abel, Jean; And Others

    1987-01-01

    Three lessons on division for grade 4 are presented, the first using manipulative materials; the second, the computer; and the third, the calculator. Advantages and disadvantages of each are discussed. (MNS)

  7. Computer calculations of compressibility of natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Abou-Kassem, J.H.; Mattar, L.; Dranchuk, P.M

    An alternative method for the calculation of pseudo reduced compressibility of natural gas is presented. The method is incorporated into the routines by adding a single FORTRAN statement before the RETURN statement. The method is suitable for computer and hand-held calculator applications. It produces the same reduced compressibility as other available methods but is computationally superior. Tabular definitions of coefficients and comparisons of predicted pseudo reduced compressibility using different methods are presented, along with appended FORTRAN subroutines. 7 refs., 2 tabs.

  8. Computational methods in calculating superconducting current problems

    Science.gov (United States)

    Brown, David John, II

    Various computational problems in treating superconducting currents are examined. First, field inversion in spatial Fourier transform space is reviewed to obtain both one-dimensional transport currents flowing down a long thin tape, and a localized two-dimensional current. The problems associated with spatial high-frequency noise, created by finite resolution and experimental equipment, are presented, and resolved with a smooth Gaussian cutoff in spatial frequency space. Convergence of the Green's functions for the one-dimensional transport current densities is discussed, and particular attention is devoted to the negative effects of performing discrete Fourier transforms alone on fields asymptotically dropping like 1/r. Results of imaging simulated current densities are favorably compared to the original distributions after the resulting magnetic fields undergo the imaging procedure. The behavior of high-frequency spatial noise, and the behavior of the fields with a 1/r asymptote in the imaging procedure in our simulations is analyzed, and compared to the treatment of these phenomena in the published literature. Next, we examine calculation of Mathieu and spheroidal wave functions, solutions to the wave equation in elliptical cylindrical and oblate and prolate spheroidal coordinates, respectively. These functions are also solutions to Schrodinger's equations with certain potential wells, and are useful in solving time-varying superconducting problems. The Mathieu functions are Fourier expanded, and the spheroidal functions expanded in associated Legendre polynomials to convert the defining differential equations to recursion relations. The infinite number of linear recursion equations is converted to an infinite matrix, multiplied by a vector of expansion coefficients, thus becoming an eigenvalue problem. The eigenvalue problem is solved with root solvers, and the eigenvector problem is solved using a Jacobi-type iteration method, after preconditioning the

  9. Computing and physical methods to calculate Pu

    International Nuclear Information System (INIS)

    Mohamed, Ashraf Elsayed Mohamed

    2013-01-01

    Main limitations due to the enhancement of the plutonium content are related to the coolant void effect as the spectrum becomes faster, the neutron flux in the thermal region tends towards zero and is concentrated in the region from 10 Ke to 1 MeV. Thus, all captures by 240 Pu and 242 Pu in the thermal and epithermal resonance disappear and the 240 Pu and 242 Pu contributions to the void effect became positive. The higher the Pu content and the poorer the Pu quality, the larger the void effect. The core control in nominal or transient conditions Pu enrichment leads to a decrease in (B eff.), the efficiency of soluble boron and control rods. Also, the Doppler effect tends to decrease when Pu replaces U, so, that in case of transients the core could diverge again if the control is not effective enough. As for the voiding effect, the plutonium degradation and the 240 Pu and 242 Pu accumulation after multiple recycling lead to spectrum hardening and to a decrease in control. One solution would be to use enriched boron in soluble boron and shutdown rods. In this paper, I discuss and show the advanced computing and physical methods to calculate Pu inside the nuclear reactors and glovebox and the different solutions to be used to overcome the difficulties that effect, on safety parameters and on reactor performance, and analysis the consequences of plutonium management on the whole fuel cycle like Raw materials savings, fraction of nuclear electric power involved in the Pu management. All through two types of scenario, one involving a low fraction of the nuclear park dedicated to plutonium management, the other involving a dilution of the plutonium in all the nuclear park. (author)

  10. Computing tools for accelerator design calculations

    International Nuclear Information System (INIS)

    Fischler, M.; Nash, T.

    1984-01-01

    This note is intended as a brief, summary guide for accelerator designers to the new generation of commercial and special processors that allow great increases in computing cost effectiveness. New thinking is required to take best advantage of these computing opportunities, in particular, when moving from analytical approaches to tracking simulations. In this paper, we outline the relevant considerations

  11. Computer calculation of Witten's 3-manifold invariant

    International Nuclear Information System (INIS)

    Freed, D.S.; Gompf, R.E.

    1991-01-01

    Witten's 2+1 dimensional Chern-Simons theory is exactly solvable. We compute the partition function, a topological invariant of 3-manifolds, on generalized Seifert spaces. Thus we test the path integral using the theory of 3-manifolds. In particular, we compare the exact solution with the asymptotic formula predicted by perturbation theory. We conclude that this path integral works as advertised and gives an effective topological invariant. (orig.)

  12. Parallel computer calculation of quantum spin lattices

    International Nuclear Information System (INIS)

    Lamarcq, J.

    1998-01-01

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

  13. Newnes circuit calculations pocket book with computer programs

    CERN Document Server

    Davies, Thomas J

    2013-01-01

    Newnes Circuit Calculations Pocket Book: With Computer Programs presents equations, examples, and problems in circuit calculations. The text includes 300 computer programs that help solve the problems presented. The book is comprised of 20 chapters that tackle different aspects of circuit calculation. The coverage of the text includes dc voltage, dc circuits, and network theorems. The book also covers oscillators, phasors, and transformers. The text will be useful to electrical engineers and other professionals whose work involves electronic circuitry.

  14. Computation of standard deviations in eigenvalue calculations

    International Nuclear Information System (INIS)

    Gelbard, E.M.; Prael, R.

    1990-01-01

    In Brissenden and Garlick (1985), the authors propose a modified Monte Carlo method for eigenvalue calculations, designed to decrease particle transport biases in the flux and eigenvalue estimates, and in corresponding estimates of standard deviations. Apparently a very similar method has been used by Soviet Monte Carlo specialists. The proposed method is based on the generation of ''superhistories'', chains of histories run in sequence without intervening renormalization of the fission source. This method appears to have some disadvantages, discussed elsewhere. Earlier numerical experiments suggest that biases in fluxes and eigenvalues are negligibly small, even for very small numbers of histories per generation. Now more recent experiments, run on the CRAY-XMP, tend to confirm these earlier conclusions. The new experiments, discussed in this paper, involve the solution of one-group 1D diffusion theory eigenvalue problems, in difference form, via Monte Carlo. Experiments covered a range of dominance ratios from ∼0.75 to ∼0.985. In all cases flux and eigenvalue biases were substantially smaller than one standard deviation. The conclusion that, in practice, the eigenvalue bias is negligible has strong theoretical support. (author)

  15. Theoretical calculation possibilities of the computer code HAMMER

    International Nuclear Information System (INIS)

    Onusic Junior, J.

    1978-06-01

    With the aim to know the theoretical calculation possibilities of the computer code HAMMER, developed at Savanah River Laboratory, a analysis of the crytical cells assembly of the kind utilized in PWR reactors is made. (L.F.S.) [pt

  16. Computer program for calculation of ideal gas thermodynamic data

    Science.gov (United States)

    Gordon, S.; Mc Bride, B. J.

    1968-01-01

    Computer program calculates ideal gas thermodynamic properties for any species for which molecular constant data is available. Partial functions and derivatives from formulas based on statistical mechanics are provided by the program which is written in FORTRAN 4 and MAP.

  17. CRACKEL: a computer code for CFR fuel management calculations

    International Nuclear Information System (INIS)

    Burstall, R.F.; Ball, M.A.; Thornton, D.E.J.

    1975-12-01

    The CRACKLE computer code is designed to perform rapid fuel management surveys of CFR systems. The code calculates overall features such as reactivity, power distributions and breeding gain, and also calculates for each sub-assembly plutonium content and power output. A number of alternative options are built into the code, in order to permit different fuel management strategies to be calculated, and to perform more detailed calculations when necessary. A brief description is given of the methods of calculation, and the input facilities of CRACKLE, with examples. (author)

  18. Analytical calculation of heavy quarkonia production processes in computer

    International Nuclear Information System (INIS)

    Braguta, V V; Likhoded, A K; Luchinsky, A V; Poslavsky, S V

    2014-01-01

    This report is devoted to the analytical calculation of heavy quarkonia production processes in modern experiments such as LHC, B-factories and superB-factories in computer. Theoretical description of heavy quarkonia is based on the factorization theorem. This theorem leads to special structure of the production amplitudes which can be used to develop computer algorithm which calculates these amplitudes automatically. This report is devoted to the description of this algorithm. As an example of its application we present the results of the calculation of double charmonia production in bottomonia decays and inclusive the χ cJ mesons production in pp-collisions

  19. Fast calculation method for computer-generated cylindrical holograms.

    Science.gov (United States)

    Yamaguchi, Takeshi; Fujii, Tomohiko; Yoshikawa, Hiroshi

    2008-07-01

    Since a general flat hologram has a limited viewable area, we usually cannot see the other side of a reconstructed object. There are some holograms that can solve this problem. A cylindrical hologram is well known to be viewable in 360 deg. Most cylindrical holograms are optical holograms, but there are few reports of computer-generated cylindrical holograms. The lack of computer-generated cylindrical holograms is because the spatial resolution of output devices is not great enough; therefore, we have to make a large hologram or use a small object to fulfill the sampling theorem. In addition, in calculating the large fringe, the calculation amount increases in proportion to the hologram size. Therefore, we propose what we believe to be a new calculation method for fast calculation. Then, we print these fringes with our prototype fringe printer. As a result, we obtain a good reconstructed image from a computer-generated cylindrical hologram.

  20. Computer automation for protection factor calculations of buildings

    International Nuclear Information System (INIS)

    Farafat, M.A.Z.; Madian, A.H.

    2011-01-01

    The protection factors of buildings are different according to the constructional and architectural specifications. Uk and USA performed a calculation using manual method to calculate the protection factor for any building which may protect the people in it from gamma rays and fall-out.The manual calculation method is very complex which is very difficult to use, for that reason the researchers simplify this method in proposed form which will be easy to understand and use. Also the researchers have designed a computer program ,in visual basic, to calculate the different protection factors for buildings. The program aims to provide the missing time in the calculation processes to calculate the protection in some spaces for any building through entering specifications data for any building .The program will modify the protection factor in very short time which will save the effort and time in comparison with the manual calculation.

  1. Hamor-2: a computer code for LWR inventory calculation

    International Nuclear Information System (INIS)

    Guimaraes, L.N.F.; Marzo, M.A.S.

    1985-01-01

    A method for calculating the accuracy inventory of LWR reactors is presented. This method uses the Hamor-2 computer code. Hamor-2 is obtained from the coupling of two other computer codes Hammer-Techion and Origen-2 for testing Hamor-2, its results were compared to concentration values measured from activides of two PWR reactors; Kernkraftwerk Obrighein (KWO) and H.B. Robinson (HBR). These actinides are U 235 , U 236 , U 238 , Pu 239 , Pu 241 and PU 242 . The computer code Hammor-2 shows better results than the computer code Origem-2, when both are compared with experimental results. (E.G.) [pt

  2. Hauser*5, a computer code to calculate nuclear cross sections

    International Nuclear Information System (INIS)

    Mann, F.M.

    1979-07-01

    HAUSER*5 is a computer code that uses the statistical (Hauser-Feshbach) model, the pre-equilibrium model, and a statistical model of direct reactions to predict nuclear cross sections. The code is unrestricted as to particle type, includes fission and capture, makes width-fluctuation corrections, and performs three-body calculations - all in minimum computer time. Transmission coefficients can be generated internally or supplied externally. This report describes equations used, necessary input, and resulting output. 2 figures, 4 tables

  3. Computer program 'TRIO' for third order calculation of ion trajectory

    International Nuclear Information System (INIS)

    Matsuo, Takekiyo; Matsuda, Hisashi; Fujita, Yoshitaka; Wollnik, H.

    1976-01-01

    A computer program for the calculation of ion trajectory is described. This program ''TRIO'' (Third Order Ion Optics) is applicable to any ion optical system consisting of drift spaces, cylindrical or toroidal electric sector fields, homogeneous or inhomogeneous magnetic sector fields, magnetic and electrostatic Q-lenses. The influence of the fringing field is taken into consideration. A special device is introduced to the method of matrix multiplication to shorten the calculation time and the required time proves to be about 40 times shorter than the ordinary method as a result. The trajectory calculation is possible to execute with accuracy up to third order. Any one of three dispersion bases, momentum, energy, mass and energy, is possible to be selected. Full LIST of the computer program and an example are given. (auth.)

  4. Computer Package for Graphite Total Cross-Section Calculations

    International Nuclear Information System (INIS)

    Adib, M.; Fathalla, M.

    2008-01-01

    An additive formula is given which allows calculating the contribution of the total neut.>neutron transmission through crystalline graphite. The formula takes into account the graphite form of poly or pyrolytic crystals and its parameters. Computer package Graphite has been designed in order to provide the required calculations in the neutron energy range from 0.1 MeV to 10 eV. The package includes three codes: PCG (Polycrystalline Graphite), PG (Pyrolytic Graphite) and HOPG (Highly Oriented Pyrolytic Graphite) for calculating neutron transmission through fine graphite powder (polycrystalline), neutron transmission and removal coefficient of PG crystal in terms of its mosaic spread for neutrons incident along its c-axis and the transmission of neutrons incident on HOPG crystal at different angles, respectively. For comparison of the experimental neutron transmission data with the calculated values, the program takes into consideration the effect of both wavelength and neutron beam divergence in either 2 constant wavelength spread mode (δλ=constant) or constant wavelength resolution mode (δλ/λ=constant). In order to check the validity for application of computer package Graphite in cross-section calculations, a comparison between calculated values with the available experimental data were carried out. An overall agreement is indicated with an accuracy sufficient for determine the neutron transmission characteristics

  5. Shieldings for X-ray radiotherapy facilities calculated by computer

    International Nuclear Information System (INIS)

    Pedrosa, Paulo S.; Farias, Marcos S.; Gavazza, Sergio

    2005-01-01

    This work presents a methodology for calculation of X-ray shielding in facilities of radiotherapy with help of computer. Even today, in Brazil, the calculation of shielding for X-ray radiotherapy is done based on NCRP-49 recommendation establishing a methodology for calculating required to the elaboration of a project of shielding. With regard to high energies, where is necessary the construction of a labyrinth, the NCRP-49 is not very clear, so that in this field, studies were made resulting in an article that proposes a solution to the problem. It was developed a friendly program in Delphi programming language that, through the manual data entry of a basic design of architecture and some parameters, interprets the geometry and calculates the shields of the walls, ceiling and floor of on X-ray radiation therapy facility. As the final product, this program provides a graphical screen on the computer with all the input data and the calculation of shieldings and the calculation memory. The program can be applied in practical implementation of shielding projects for radiotherapy facilities and can be used in a didactic way compared to NCRP-49.

  6. Computer and engineering calculations of Brazilian Tokamak-II

    International Nuclear Information System (INIS)

    Wang, S.; Chen, Y.; Sa, W.P. de; Nascimento, I.C.; Tuszel, A.G.; Galvao, R.M.O.; Machida, M.

    1990-01-01

    Analytical and computer calculations carried out by researches of Physics Institute - University of Sao Paulo (IFUSP), for defining the engineering project and constructing the TBR-II tokamak are presented. The hydrodynamics behavioue and determined parameters for magnetic confinement of the plasma were analysed. The computer code was developed using magnetohydrodynamics (MHD) equations which involve plasma interactions, magnetic field and electrical current circulating in more than 20 coils distributed around toroidal vase of the plasma. The electromagnetic, thermal and mechanical couplings are also presented. The TBR-II will be feed by two turbo-generators with 15 MW each one. (M.C.K.) [pt

  7. SIMCRI: a simple computer code for calculating nuclear criticality parameters

    International Nuclear Information System (INIS)

    Nakamaru, Shou-ichi; Sugawara, Nobuhiko; Naito, Yoshitaka; Katakura, Jun-ichi; Okuno, Hiroshi.

    1986-03-01

    This is a user's manual for a simple criticality calculation code SIMCRI. The code has been developed to facilitate criticality calculation on a single unit of nuclear fuel. SIMCRI makes an extensive survey with a little computing time. Cross section library MGCL for SIMCRI is the same one for the Monte Carlo criticality code KENOIV; it is, therefore, easy to compare the results of the two codes. SIMCRI solves eigenvalue problems and fixed source problems based on the one space point B 1 equation. The results include infinite and effective multiplication factor, critical buckling, migration area, diffusion coefficient and so on. SIMCRI is comprised in the criticality safety evaluation code system JACS. (author)

  8. A computational framework for automation of point defect calculations

    International Nuclear Information System (INIS)

    Goyal, Anuj; Gorai, Prashun; Peng, Haowei

    2017-01-01

    We have developed a complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory. Furthermore, the framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. This package provides the capability to compute widely-accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3 as test examples, we demonstrate the package capabilities and validate the methodology.

  9. Computationally efficient implementation of combustion chemistry in parallel PDF calculations

    International Nuclear Information System (INIS)

    Lu Liuyan; Lantz, Steven R.; Ren Zhuyin; Pope, Stephen B.

    2009-01-01

    In parallel calculations of combustion processes with realistic chemistry, the serial in situ adaptive tabulation (ISAT) algorithm [S.B. Pope, Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combustion Theory and Modelling, 1 (1997) 41-63; L. Lu, S.B. Pope, An improved algorithm for in situ adaptive tabulation, Journal of Computational Physics 228 (2009) 361-386] substantially speeds up the chemistry calculations on each processor. To improve the parallel efficiency of large ensembles of such calculations in parallel computations, in this work, the ISAT algorithm is extended to the multi-processor environment, with the aim of minimizing the wall clock time required for the whole ensemble. Parallel ISAT strategies are developed by combining the existing serial ISAT algorithm with different distribution strategies, namely purely local processing (PLP), uniformly random distribution (URAN), and preferential distribution (PREF). The distribution strategies enable the queued load redistribution of chemistry calculations among processors using message passing. They are implemented in the software x2f m pi, which is a Fortran 95 library for facilitating many parallel evaluations of a general vector function. The relative performance of the parallel ISAT strategies is investigated in different computational regimes via the PDF calculations of multiple partially stirred reactors burning methane/air mixtures. The results show that the performance of ISAT with a fixed distribution strategy strongly depends on certain computational regimes, based on how much memory is available and how much overlap exists between tabulated information on different processors. No one fixed strategy consistently achieves good performance in all the regimes. Therefore, an adaptive distribution strategy, which blends PLP, URAN and PREF, is devised and implemented. It yields consistently good performance in all regimes. In the adaptive parallel

  10. Computer code for calculating personnel doses due to tritium exposures

    International Nuclear Information System (INIS)

    Graham, C.L.; Parlagreco, J.R.

    1977-01-01

    This report describes a computer code written in LLL modified Fortran IV that can be used on a CDC 7600 for calculating personnel doses due to internal exposures to tritium. The code is capable of handling various exposure situations and is also capable of detecting a large variety of data input errors that would lead to errors in the dose assessment. The critical organ is the body water

  11. RAFT: a computer program for fault tree risk calculations

    International Nuclear Information System (INIS)

    Seybold, G.D.

    1977-11-01

    A description and user instructions are presented for RAFT, a FORTRAN computer code for calculation of a risk measure for fault tree cut sets. RAFT calculates release quantities and a risk measure based on the product of probability and release quantity for cut sets of fault trees modeling the accidental release of radioactive material from a nuclear fuel cycle facility. Cut sets and their probabilities are supplied as input to RAFT from an external fault tree analysis code. Using the total inventory available of radioactive material, along with release fractions for each event in a cut set, the release terms are calculated for each cut set. Each release term is multiplied by the cut set probability to yield the cut set risk measure. RAFT orders the dominant cut sets on the risk measure. The total risk measure of processed cut sets and their fractional contributions are supplied as output. Input options are available to eliminate redundant cut sets, apply threshold values on cut set probability and risk, and control the total number of cut sets output. Hash addressing is used to remove redundant cut sets from the analysis. Computer hardware and software restrictions are given along with a sample problem and cross-reference table of the code. Except for the use of file management utilities, RAFT is written exclusively in FORTRAN language and is operational on a Control Data, CYBER 74-18--series computer system. 4 figures

  12. Analytical calculations by computer in physics and mathematics

    International Nuclear Information System (INIS)

    Gerdt, V.P.; Tarasov, O.V.; Shirokov, D.V.

    1978-01-01

    The review of present status of analytical calculations by computer is given. Some programming systems for analytical computations are considered. Such systems as SCHOONSCHIP, CLAM, REDUCE-2, SYMBAL, CAMAL, AVTO-ANALITIK which are implemented or will be implemented in JINR, and MACSYMA - one of the most developed systems - are discussed. It is shown on the basis of mathematical operations, realized in these systems, that they are appropriated for different problems of theoretical physics and mathematics, for example, for problems of quantum field theory, celestial mechanics, general relativity and so on. Some problems solved in JINR by programming systems for analytical computations are described. The review is intended for specialists in different fields of theoretical physics and mathematics

  13. Hamiltonian lattice field theory: Computer calculations using variational methods

    International Nuclear Information System (INIS)

    Zako, R.L.

    1991-01-01

    I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. I show how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems

  14. Hamiltonian lattice field theory: Computer calculations using variational methods

    International Nuclear Information System (INIS)

    Zako, R.L.

    1991-01-01

    A variational method is developed for systematic numerical computation of physical quantities-bound state energies and scattering amplitudes-in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. An algorithm is presented for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. It is shown how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. It is shown how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. The author discusses the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, the author does not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. The method is applied to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. The author describes a computer implementation of the method and present numerical results for simple quantum mechanical systems

  15. PULSTRI-1 computer program for mixed core pulse calculation

    International Nuclear Information System (INIS)

    Ravnik, M.; Mele, I.; Dimic, V.

    1990-01-01

    PUISTRI-1 is a computer code designed for calculations of the pulse parameters of TRIGA Mark II reactor with mixed core. The code is provided with data for four types of fuel elements: standard 8.5 and 12 w/o, LEU and FLIP. The pulse parameters, such as maximum power, prompt pulse energy and average fuel temperatures are calculated in adiabatic point kinetics, approximation, modified by taking into account temperature dependence of fuel temperature reactivity coefficient and thermal capacity factor averaged over all elements in the core. Maximal fuel temperature at power peaking location is calculated from total released energy using total power peaking factor and heat capacity of the element at the location of the power peaking. Results of the code were compared to data found in references (mainly General Atomics safety analysis reports) showing good agreement for all main pulse parameters. The most important parameters, average and maximal fuel temperature, are found to be systematically slightly overpredicted (20 C and 50 C, respectively). Other parameters (energy, peak power, width) agree within ± 10 % to the reference values. The code is written in FORTRAN for IBM PC computer. The input is user friendly. running time of IBM PC AT is a few seconds. It is designed for practical applications in pulse experiments as an analytical tool for predicting pulse parameters. (orig.)

  16. Traction calculation of band conveyors using the ''Nairi-2'' computer

    Energy Technology Data Exchange (ETDEWEB)

    Kutlunin, V A; Livshis, A V; Pod' yemshchikov, A N

    1982-01-01

    An algorithm is described and a program is introduced for traction calculation of band conveyors using the ''Nairi-2'' computer. The calculation system of the conveyor is derived by means of dividing the closed loop of the band into straight sections, which are separated by drums. The number of sections depends on the number of drums, the bypass system of them by the band, the shape of the conveyor route and in each specific case, a specific number is chosen. The initial information for the computer is assigned by a matrix, each row of which consists of parameters of the corresponding section. As a result, the forces of the beginning and end of the sections are found, and the required output of the drive motors with observance of the conditions of non-slippage of the drive drums and limiting of the maximum slack of the band between rollers are also found. The program allows one to make traction calculations of band conveyors with any routing shape for any number and position of the drive drums.

  17. Computer calculations of air and steam blowdown suppression

    International Nuclear Information System (INIS)

    Norris, D.M. Jr.; McMaster, W.H.; Landram, C.S.; Quinones, D.F.; Gong, E.Y.; Macken, N.A.

    1980-01-01

    We describe a computer code that combines an Eulerian incompressible-fluid algorithm (SOLA) with a Lagrangian finite-element shell algorithm. The former models the fluid and the latter models the containing structure in an analysis of pressure suppression in boiling-water reactors. The code (PELE-IC) calculates loads and structural response from air blow-down and from the oscillatory condensation of steam bubbles in a water pool. The fluid, structure, and coupling algorithms are tested by recalculating problems that have known analytical solutions, including tank drainage, spherical bubble growth, coupling for circular plates, and submerged cylinder vibration. Code calculations are also compared with the results of small-scale blowdown experiments. (orig.)

  18. Dynamic stability calculations for power grids employing a parallel computer

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, K

    1982-06-01

    The aim of dynamic contingency calculations in power systems is to estimate the effects of assumed disturbances, such as loss of generation. Due to the large dimensions of the problem these simulations require considerable computing time and costs, to the effect that they are at present only used in a planning state but not for routine checks in power control stations. In view of the homogeneity of the problem, where a multitude of equal generator models, having different parameters, are to be integrated simultaneously, the use of a parallel computer looks very attractive. The results of this study employing a prototype parallel computer (SMS 201) are presented. It consists of up to 128 equal microcomputers bus-connected to a control computer. Each of the modules is programmed to simulate a node of the power grid. Generators with their associated control are represented by models of 13 states each. Passive nodes are complemented by 'phantom'-generators, so that the whole power grid is homogenous, thus removing the need for load-flow-iterations. Programming of microcomputers is essentially performed in FORTRAN.

  19. TRING: a computer program for calculating radionuclide transport in groundwater

    International Nuclear Information System (INIS)

    Maul, P.R.

    1984-12-01

    The computer program TRING is described which enables the transport of radionuclides in groundwater to be calculated for use in long term radiological assessments using methods described previously. Examples of the areas of application of the program are activity transport in groundwater associated with accidental spillage or leakage of activity, the shutdown of reactors subject to delayed decommissioning, shallow land burial of intermediate level waste and geologic disposal of high level waste. Some examples of the use of the program are given, together with full details to enable users to run the program. (author)

  20. On the computation of momentum distributions within wavepacket propagation calculations

    International Nuclear Information System (INIS)

    Feuerstein, Bernold; Thumm, Uwe

    2003-01-01

    We present a new method to extract momentum distributions from time-dependent wavepacket calculations. In contrast to established Fourier transformation of the spatial wavepacket at a fixed time, the proposed 'virtual detector' method examines the time dependence of the wavepacket at a fixed position. In first applications to the ionization of model atoms and the dissociation of H 2 + , we find a significant reduction of computing time and are able to extract reliable fragment momentum distributions by using a comparatively small spatial numerical grid for the time-dependent wavefunction

  1. Calculation of radiation dose received in computed tomography examinations

    International Nuclear Information System (INIS)

    Abed Elseed, Eslam Mustafa

    2014-07-01

    Diagnostic computed tomography (CT) examinations play an important role in the health care of the population. These examination may involve significant irradiation of the patient and probably represent the largest man-made source of radiation exposure for the population. This study was performed to assess the effective dose (ED) received in brain CT examination ( base of skull and cerebrum) and to analyze effective dose distributions among radiological departments under study. The study was performed at Elnileen Medical Center, coverage one CT unit and a sample of 51 patients (25 cerebrum sample and 26 base of skull sample). The following parameters were recorded age, weight, height body mass index (BMI) derived from weight (kg) and height ( m) and exposure factor and CTDI voi , DLP value. The effective dose was measured for brain CT examination. The ED values were calculated from the obtained DLP values using AAPM report No 96 calculation methods. The results of ED values calculated showed that patient exposure were within the normal range of exposure. The mean ED values calculated were 0.35±0.15 for base of skull of brain CT examinations and 0.70±0.32 for cerebrum of brain CT examination, respectively. Further studies are recommended with more number of pa.(Author)

  2. Development of a computational methodology for internal dose calculations

    International Nuclear Information System (INIS)

    Yoriyaz, Helio

    2000-01-01

    A new approach for calculating internal dose estimates was developed through the use of a more realistic computational model of the human body and a more precise tool for the radiation transport simulation. The present technique shows the capability to build a patient-specific phantom with tomography data (a voxel-based phantom) for the simulation of radiation transport and energy deposition using Monte Carlo methods such as in the MCNP-4B code. In order to utilize the segmented human anatomy as a computational model for the simulation of radiation transport, an interface program, SCMS, was developed to build the geometric configurations for the phantom through the use of tomographic images. This procedure allows to calculate not only average dose values but also spatial distribution of dose in regions of interest. With the present methodology absorbed fractions for photons and electrons in various organs of the Zubal segmented phantom were calculated and compared to those reported for the mathematical phantoms of Snyder and Cristy-Eckerman. Although the differences in the organ's geometry between the phantoms are quite evident, the results demonstrate small discrepancies, however, in some cases, considerable discrepancies were found due to two major causes: differences in the organ masses between the phantoms and the occurrence of organ overlap in the Zubal segmented phantom, which is not considered in the mathematical phantom. This effect was quite evident for organ cross-irradiation from electrons. With the determination of spatial dose distribution it was demonstrated the possibility of evaluation of more detailed doses data than those obtained in conventional methods, which will give important information for the clinical analysis in therapeutic procedures and in radiobiologic studies of the human body. (author)

  3. Dose calculation for iridium-192 sources by a personal computer

    International Nuclear Information System (INIS)

    Takahashi, Kenichi; Ishigaki, Hideyo; Udagawa, Kimio; Saito, Masami; Yamaguchi, Kyoko

    1988-01-01

    Recently Ir-192 sources have been used for interstitial radiotherapy instead of Ra-226 needles. One end of Ir-192 (single-pin) is formed with circlet and implanted Ir-192 sources are not always straight line. So the authors have developed a new dose calculation system, in which the authers employed conventional method considering oblique filteration for linear source and multi-point source method for curved source. Conventionally the positions of sources in three dimensions are determined from projections of the implanted sources on orthogonal or stereo radiographs. But it is frequentry impossible to define the end of sources on account of overlap. Then the authers have devised a method to determine the positions of sources from two radiographs which were taken with arbitrary directions. For tongue cancer injuries of mandibula so frequently occur after interstitial radiotherapy that the calculation of gingival dose is necessary. The positions of the gingival line are determined from two directional radiographs too. Further the three dimensional dose distributions can be displayed on the cathod ray tube. These calculations are performed by using a personal computer because of its distinctive features such as superiority in cost performance and flexibility for development and modification of programs. (author)

  4. Activity computer program for calculating ion irradiation activation

    Science.gov (United States)

    Palmer, Ben; Connolly, Brian; Read, Mark

    2017-07-01

    A computer program, Activity, was developed to predict the activity and gamma lines of materials irradiated with an ion beam. It uses the TENDL (Koning and Rochman, 2012) [1] proton reaction cross section database, the Stopping and Range of Ions in Matter (SRIM) (Biersack et al., 2010) code, a Nuclear Data Services (NDS) radioactive decay database (Sonzogni, 2006) [2] and an ENDF gamma decay database (Herman and Chadwick, 2006) [3]. An extended version of Bateman's equation is used to calculate the activity at time t, and this equation is solved analytically, with the option to also solve by numeric inverse Laplace Transform as a failsafe. The program outputs the expected activity and gamma lines of the activated material.

  5. Internal radiation dose calculations with the INREM II computer code

    International Nuclear Information System (INIS)

    Dunning, D.E. Jr.; Killough, G.G.

    1978-01-01

    A computer code, INREM II, was developed to calculate the internal radiation dose equivalent to organs of man which results from the intake of a radionuclide by inhalation or ingestion. Deposition and removal of radioactivity from the respiratory tract is represented by the Internal Commission on Radiological Protection Task Group Lung Model. A four-segment catenary model of the gastrointestinal tract is used to estimate movement of radioactive material that is ingested, or swallowed after being cleared from the respiratory tract. Retention of radioactivity in other organs is specified by linear combinations of decaying exponential functions. The formation and decay of radioactive daughters is treated explicitly, with each radionuclide in the decay chain having its own uptake and retention parameters, as supplied by the user. The dose equivalent to a target organ is computed as the sum of contributions from each source organ in which radioactivity is assumed to be situated. This calculation utilizes a matrix of dosimetric S-factors (rem/μCi-day) supplied by the user for the particular choice of source and target organs. Output permits the evaluation of components of dose from cross-irradiations when penetrating radiations are present. INREM II has been utilized with current radioactive decay data and metabolic models to produce extensive tabulations of dose conversion factors for a reference adult for approximately 150 radionuclides of interest in environmental assessments of light-water-reactor fuel cycles. These dose conversion factors represent the 50-year dose commitment per microcurie intake of a given radionuclide for 22target organs including contributions from specified source organs and surplus activity in the rest of the body. These tabulations are particularly significant in their consistent use of contemporary models and data and in the detail of documentation

  6. Computational models for probabilistic neutronic calculation in TADSEA

    International Nuclear Information System (INIS)

    Garcia, Jesus A.R.; Curbelo, Jesus P.; Hernandez, Carlos R.G.; Oliva, Amaury M.; Lira, Carlos A.B.O.

    2013-01-01

    The Very High Temperature Reactor is one of the main candidates for the next generation of nuclear power plants. In pebble bed reactors, the fuel is contained within graphite pebbles in the form of TRISO particles, which form a randomly packed bed inside a graphite-walled cylindrical cavity. In previous studies, the conceptual design of a Transmutation Advanced Device for Sustainable Energy Applications (TADSEA) has been made. The TADSEA is a pebble-bed ADS cooled by helium and moderated by graphite. In order to simulate the TADSEA correctly, the double heterogeneity of the system must be considered. It consists on randomly located pebbles into the core and randomly located TRISO particles into the fuel pebbles. These features are often neglected due to the difficulty to model with MCNP code. The main reason is that there is a limited number of cells and surfaces to be defined. In this paper a computational tool, which allows to get a new geometrical model for fuel pebble to neutronic calculation with MCNPX, was presented. The heterogeneity of system is considered, and also the randomly located TRISO particles inside the pebble. There are also compared several neutronic computational models for TADSEA's fuel pebbles in order to study heterogeneity effects. On the other hand the boundary effect given by the intersection between the pebble surface and the TRISO particles could be significative in the multiplicative properties. A model to study this e ect is also presented. (author)

  7. Calculating the nutrient composition of recipes with computers.

    Science.gov (United States)

    Powers, P M; Hoover, L W

    1989-02-01

    The objective of this research project was to compare the nutrient values computed by four commonly used computerized recipe calculation methods. The four methods compared were the yield factor, retention factor, summing, and simplified retention factor methods. Two versions of the summing method were modeled. Four pork entrée recipes were selected for analysis: roast pork, pork and noodle casserole, pan-broiled pork chops, and pork chops with vegetables. Assumptions were made about changes expected to occur in the ingredients during preparation and cooking. Models were designed to simulate the algorithms of the calculation methods using a microcomputer spreadsheet software package. Identical results were generated in the yield factor, retention factor, and summing-cooked models for roast pork. The retention factor and summing-cooked models also produced identical results for the recipe for pan-broiled pork chops. The summing-raw model gave the highest value for water in all four recipes and the lowest values for most of the other nutrients. A superior method or methods was not identified. However, on the basis of the capabilities provided with the yield factor and retention factor methods, more serious consideration of these two methods is recommended.

  8. Summaries of recent computer-assisted Feynam diagram calculations

    International Nuclear Information System (INIS)

    Mark Fischler

    2001-01-01

    The AIHENP Workshop series has traditionally included cutting edge work on automated computation of Feynman diagrams. The conveners of the Symbolic Problem Solving topic in this ACAT conference felt it would be useful to solicit presentations of brief summaries of the interesting recent calculations. Since this conference was the first in the series to be held in the Western Hemisphere, it was decided that the summaries would be solicited both from attendees and from researchers who could not attend the conference. This would represent a sampling of many of the key calculations being performed. The results were presented at the Poster session; contributions from ten researchers were displayed and posted on the web. Although the poster presentation, which can be viewed at conferences.fnal.gov/acat2000/ placed equal emphasis on results presented at the conference and other contributions, here we primarily discuss the latter, which do not appear in full form in these proceedings. This brief paper can't do full justice to each contribution; interested readers can find details of the work not presented at this conference in references (1), (2), (3), (4), (5), (6), (7)

  9. Comparison of computer code calculations with FEBA test data

    International Nuclear Information System (INIS)

    Zhu, Y.M.

    1988-06-01

    The FEBA forced feed reflood experiments included base line tests with unblocked geometry. The experiments consisted of separate effect tests on a full-length 5x5 rod bundle. Experimental cladding temperatures and heat transfer coefficients of FEBA test No. 216 are compared with the analytical data postcalculated utilizing the SSYST-3 computer code. The comparison indicates a satisfactory matching of the peak cladding temperatures, quench times and heat transfer coefficients for nearly all axial positions. This agreement was made possible by the use of an artificially adjusted value of the empirical code input parameter in the heat transfer for the dispersed flow regime. A limited comparison of test data and calculations using the RELAP4/MOD6 transient analysis code are also included. In this case the input data for the water entrainment fraction and the liquid weighting factor in the heat transfer for the dispersed flow regime were adjusted to match the experimental data. On the other hand, no fitting of the input parameters was made for the COBRA-TF calculations which are included in the data comparison. (orig.) [de

  10. Computer code for shielding calculations of x-rays rooms

    International Nuclear Information System (INIS)

    Affonso, R.R.W.; Borges, D. da S.; Lava, D.D.; Moreira, M. de L.; Guimarães, A.C.F.

    2015-01-01

    The building an effective barrier against ionizing radiation present in radiographic rooms requires consideration of many variables. The methodology used for thickness specification of primary and secondary, barrier of a traditional radiographic room, considers the following factors: Use Factor, Occupational Factor, distance between the source and the wall, Workload, Kerma in the air and distance between the patient and the source. With these data it was possible to develop a computer code, which aims to identify and use variables in functions obtained through graphics regressions provided by NCRP-147 (Structural Shielding Design for Medical X-Ray Imaging Facilities) report, for shielding calculation of room walls, and the walls of the dark room and adjacent areas. With the implemented methodology, it was made a code validation by comparison of results with a study case provided by the report. The obtained values for thickness comprise different materials such as concrete, lead and glass. After validation it was made a case study of an arbitrary radiographic room.The development of the code resulted in a user-friendly tool for planning radiographic rooms to comply with the limits established by CNEN-NN-3:01 published in september/2011. (authors)

  11. From parallel to distributed computing for reactive scattering calculations

    International Nuclear Information System (INIS)

    Lagana, A.; Gervasi, O.; Baraglia, R.

    1994-01-01

    Some reactive scattering codes have been ported on different innovative computer architectures ranging from massively parallel machines to clustered workstations. The porting has required a drastic restructuring of the codes to single out computationally decoupled cpu intensive subsections. The suitability of different theoretical approaches for parallel and distributed computing restructuring is discussed and the efficiency of related algorithms evaluated

  12. A method of paralleling computer calculation for two-dimensional kinetic plasma model

    International Nuclear Information System (INIS)

    Brazhnik, V.A.; Demchenko, V.V.; Dem'yanov, V.G.; D'yakov, V.E.; Ol'shanskij, V.V.; Panchenko, V.I.

    1987-01-01

    A method for parallel computer calculation and OSIRIS program complex realizing it and designed for numerical plasma simulation by the macroparticle method are described. The calculation can be carried out either with one or simultaneously with two computers BESM-6, that is provided by some package of interacting programs functioning in every computer. Program interaction in every computer is based on event techniques realized in OS DISPAK. Parallel computer calculation with two BESM-6 computers allows to accelerate the computation 1.5 times

  13. Systems for neutronic, thermohydraulic and shielding calculation in personal computers

    International Nuclear Information System (INIS)

    Villarino, E.A.; Abbate, P.; Lovotti, O.; Santini, M.

    1990-01-01

    The MTR-PC (Materials Testing Reactors-Personal Computers) system has been developed by the Nuclear Engineering Division of INVAP S.E. with the aim of providing working conditions integrated with personal computers for design and neutronic, thermohydraulic and shielding analysis for reactors employing plate type fuel. (Author) [es

  14. Computing NLTE Opacities -- Node Level Parallel Calculation

    Energy Technology Data Exchange (ETDEWEB)

    Holladay, Daniel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-09-11

    Presentation. The goal: to produce a robust library capable of computing reasonably accurate opacities inline with the assumption of LTE relaxed (non-LTE). Near term: demonstrate acceleration of non-LTE opacity computation. Far term (if funded): connect to application codes with in-line capability and compute opacities. Study science problems. Use efficient algorithms that expose many levels of parallelism and utilize good memory access patterns for use on advanced architectures. Portability to multiple types of hardware including multicore processors, manycore processors such as KNL, GPUs, etc. Easily coupled to radiation hydrodynamics and thermal radiative transfer codes.

  15. GRUCAL, a computer program for calculating macroscopic group constants

    International Nuclear Information System (INIS)

    Woll, D.

    1975-06-01

    Nuclear reactor calculations require material- and composition-dependent, energy averaged nuclear data to describe the interaction of neutrons with individual isotopes in material compositions of reactor zones. The code GRUCAL calculates these macroscopic group constants for given compositions from the material-dependent data of the group constant library GRUBA. The instructions for calculating group constants are not fixed in the program, but will be read at the actual execution time from a separate instruction file. This allows to accomodate GRUCAL to various problems or different group constant concepts. (orig.) [de

  16. CRYOCOL a computer program to calculate the cryogenic distillation of hydrogen isotopes

    International Nuclear Information System (INIS)

    Douglas, S.R.

    1993-02-01

    This report describes the computer model and mathematical method coded into the AECL Research computer program CRYOCOL. The purpose of CRYOCOL is to calculate the separation of hydrogen isotopes by cryogenic distillation. (Author)

  17. Analytical predictions of SGEMP response and comparisons with computer calculations

    International Nuclear Information System (INIS)

    de Plomb, E.P.

    1976-01-01

    An analytical formulation for the prediction of SGEMP surface current response is presented. Only two independent dimensionless parameters are required to predict the peak magnitude and rise time of SGEMP induced surface currents. The analysis applies to limited (high fluence) emission as well as unlimited (low fluence) emission. Cause-effect relationships for SGEMP response are treated quantitatively, and yield simple power law dependencies between several physical variables. Analytical predictions for a large matrix of SGEMP cases are compared with an array of about thirty-five computer solutions of similar SGEMP problems, which were collected from three independent research groups. The theoretical solutions generally agree with the computer solutions as well as the computer solutions agree with one another. Such comparisons typically show variations less than a ''factor of two.''

  18. Non-Intrusive Computational Method and Uncertainty Quantification Tool for isolator operability calculations, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Computational fluid dynamics (CFD) simulations are extensively used by NASA for hypersonic aerothermodynamics calculations. The physical models used in CFD codes and...

  19. Calculation and construction of electron-diffraction photographs using computer

    International Nuclear Information System (INIS)

    Khayurov, S.S.; Notkin, A.B.

    1981-01-01

    A method of computer construction and indexing of theoretical electronograms for monophase structures with arbitrary type of crystal lattice and for polyphase ones with known orientational coorrelations between phases is presented. Electron-diffraction photograph is presented, obtained from the foil area of two-phase VT22 alloy at β phase orientation in comparison with theoretical electron-diffraction photographs, built ap by computer, with the [100] β phase zone axis and with three variants of α phase orientation relatively to β phase. It is shown that on the experimental electron-diffraction photograph simultaneously presents α-phase three orientations, which reflexes can be indexing correctly [ru

  20. Quantum computing applied to calculations of molecular energies

    Czech Academy of Sciences Publication Activity Database

    Pittner, Jiří; Veis, L.

    2011-01-01

    Roč. 241, - (2011), 151-phys ISSN 0065-7727. [National Meeting and Exposition of the American-Chemical-Society (ACS) /241./. 27.03.2011-31.03.2011, Anaheim] Institutional research plan: CEZ:AV0Z40400503 Keywords : molecular energie * quantum computers Subject RIV: CF - Physical ; Theoretical Chemistry

  1. Computer program for calculating thermodynamic and transport properties of fluids

    Science.gov (United States)

    Hendricks, R. C.; Braon, A. K.; Peller, I. C.

    1975-01-01

    Computer code has been developed to provide thermodynamic and transport properties of liquid argon, carbon dioxide, carbon monoxide, fluorine, helium, methane, neon, nitrogen, oxygen, and parahydrogen. Equation of state and transport coefficients are updated and other fluids added as new material becomes available.

  2. FCJ-135 Feral Computing: From Ubiquitous Calculation to Wild Interactions

    Directory of Open Access Journals (Sweden)

    Matthew Fuller

    2011-12-01

    Full Text Available In ‘The Coming Age of Calm Technology’, Mark Weiser and John Seely Brown are clear in their assertions, what really ‘matters’ about technology is not technology in itself, rather, its capacity to continuously recreate our relationship with the world at large (Brown and Weiser 1996. Even though they promote such an idea under the banner of ‘calm technology’, what is central to their thesis is the mutational capacities brought into the world by the spillage of computation out from its customary boxes. What their work tends to occlude is that in setting the sinking of technology almost imperceptibly, but deeply into the ‘everyday’ as a target for ubiquitous computing, other possibilities are masked, for instance, those of greater hackability or interrogability of such technologies. Our contention is that making ubicomp seamless (MacColl et al, 2002 tends to obfuscate the potential of computation in reworking computational subjects, including societies, modes of life, and inter-relations with the dynamics of thought and the composition of experience and understanding.

  3. Computer code for double beta decay QRPA based calculations

    Energy Technology Data Exchange (ETDEWEB)

    Barbero, C. A.; Mariano, A. [Departamento de Física, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, La Plata, Argentina and Instituto de Física La Plata, CONICET, La Plata (Argentina); Krmpotić, F. [Instituto de Física La Plata, CONICET, La Plata, Argentina and Instituto de Física Teórica, Universidade Estadual Paulista, São Paulo (Brazil); Samana, A. R.; Ferreira, V. dos Santos [Departamento de Ciências Exatas e Tecnológicas, Universidade Estadual de Santa Cruz, BA (Brazil); Bertulani, C. A. [Department of Physics, Texas A and M University-Commerce, Commerce, TX (United States)

    2014-11-11

    The computer code developed by our group some years ago for the evaluation of nuclear matrix elements, within the QRPA and PQRPA nuclear structure models, involved in neutrino-nucleus reactions, muon capture and β{sup ±} processes, is extended to include also the nuclear double beta decay.

  4. FISPIN - a computer code for nuclide inventory calculations

    International Nuclear Information System (INIS)

    Burstall, R.F.

    1979-10-01

    The code is used for assessment of three groups of nuclides, the actinides, the fission products, and structural materials. The methods of calculation are described, together with the input and output of the code and examples of both. Recommendations are given for the best use of the code. (author)

  5. Advances in computational methods for Quantum Field Theory calculations

    NARCIS (Netherlands)

    Ruijl, B.J.G.

    2017-01-01

    In this work we describe three methods to improve the performance of Quantum Field Theory calculations. First, we simplify large expressions to speed up numerical integrations. Second, we design Forcer, a program for the reduction of four-loop massless propagator integrals. Third, we extend the R*

  6. Computer calculations of activation energy for pyrolysis from thermogravimetric curves

    International Nuclear Information System (INIS)

    Hussain, R.

    1994-01-01

    A BASIC programme to determine energy of activation for the degradation of polymers has been described. The calculations are based on the results of thermogravimetric curves. This method is applicable for those polymers which produce volatile products upon thermal degradation. (author)

  7. A computer code for fault tree calculations: PATREC

    International Nuclear Information System (INIS)

    Blin, A.; Carnino, A.; Koen, B.V.; Duchemin, B.; Lanore, J.M.; Kalli, H.

    1978-01-01

    A computer code for evaluating the reliability of complex system by fault tree is described in this paper. It uses pattern recognition approach and programming techniques from IBM PL1 language. It can take account of many of the present day problems: multi-dependencies treatment, dispersion in the reliability data parameters, influence of common mode failures. The code is running currently since two years now in Commissariat a l'Energie Atomique Saclay center and shall be used in a future extension for automatic fault trees construction

  8. Laser Beam and Resonator Calculations on Desktop Computers.

    Science.gov (United States)

    Doumont, Jean-Luc

    There is a continuing interest in the design and calculation of laser resonators and optical beam propagation. In particular, recently, interest has increased in developing concepts such as one-sided unstable resonators, supergaussian reflectivity profiles, diode laser modes, beam quality concepts, mode competition, excess noise factors, and nonlinear Kerr lenses. To meet these calculation needs, I developed a general-purpose software package named PARAXIA ^{rm TM}, aimed at providing optical scientists and engineers with a set of powerful design and analysis tools that provide rapid and accurate results and are extremely easy to use. PARAXIA can handle separable paraxial optical systems in cartesian or cylindrical coordinates, including complex-valued and misaligned ray matrices, with full diffraction effects between apertures. It includes the following programs:. ABCD provides complex-valued ray-matrix and gaussian -mode analyses for arbitrary paraxial resonators and optical systems, including astigmatism and misalignment in each element. This program required that I generalize the theory of gaussian beam propagation to the case of an off-axis gaussian beam propagating through a misaligned, complex -valued ray matrix. FRESNEL uses FFT and FHT methods to propagate an arbitrary wavefront through an arbitrary paraxial optical system using Huygens' integral in rectangular or radial coordinates. The wavefront can be multiplied by an arbitrary mirror profile and/or saturable gain sheet on each successive propagation through the system. I used FRESNEL to design a one-sided negative-branch unstable resonator for a free -electron laser, and to show how a variable internal aperture influences the mode competition and beam quality in a stable cavity. VSOURCE implements the virtual source analysis to calculate eigenvalues and eigenmodes for unstable resonators with both circular and rectangular hard-edged mirrors (including misaligned rectangular systems). I used VSOURCE to

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-07-10

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

  10. Fast electrostatic force calculation on parallel computer clusters

    International Nuclear Information System (INIS)

    Kia, Amirali; Kim, Daejoong; Darve, Eric

    2008-01-01

    The fast multipole method (FMM) and smooth particle mesh Ewald (SPME) are well known fast algorithms to evaluate long range electrostatic interactions in molecular dynamics and other fields. FMM is a multi-scale method which reduces the computation cost by approximating the potential due to a group of particles at a large distance using few multipole functions. This algorithm scales like O(N) for N particles. SPME algorithm is an O(NlnN) method which is based on an interpolation of the Fourier space part of the Ewald sum and evaluating the resulting convolutions using fast Fourier transform (FFT). Those algorithms suffer from relatively poor efficiency on large parallel machines especially for mid-size problems around hundreds of thousands of atoms. A variation of the FMM, called PWA, based on plane wave expansions is presented in this paper. A new parallelization strategy for PWA, which takes advantage of the specific form of this expansion, is described. Its parallel efficiency is compared with SPME through detail time measurements on two different computer clusters

  11. Trends in high-performance computing for engineering calculations.

    Science.gov (United States)

    Giles, M B; Reguly, I

    2014-08-13

    High-performance computing has evolved remarkably over the past 20 years, and that progress is likely to continue. However, in recent years, this progress has been achieved through greatly increased hardware complexity with the rise of multicore and manycore processors, and this is affecting the ability of application developers to achieve the full potential of these systems. This article outlines the key developments on the hardware side, both in the recent past and in the near future, with a focus on two key issues: energy efficiency and the cost of moving data. It then discusses the much slower evolution of system software, and the implications of all of this for application developers. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  12. Parallel computation of automatic differentiation applied to magnetic field calculations

    International Nuclear Information System (INIS)

    Hinkins, R.L.; Lawrence Berkeley Lab., CA

    1994-09-01

    The author presents a parallelization of an accelerator physics application to simulate magnetic field in three dimensions. The problem involves the evaluation of high order derivatives with respect to two variables of a multivariate function. Automatic differentiation software had been used with some success, but the computation time was prohibitive. The implementation runs on several platforms, including a network of workstations using PVM, a MasPar using MPFortran, and a CM-5 using CMFortran. A careful examination of the code led to several optimizations that improved its serial performance by a factor of 8.7. The parallelization produced further improvements, especially on the MasPar with a speedup factor of 620. As a result a problem that took six days on a SPARC 10/41 now runs in minutes on the MasPar, making it feasible for physicists at Lawrence Berkeley Laboratory to simulate larger magnets

  13. Massive calculations of electrostatic potentials and structure maps of biopolymers in a distributed computing environment

    International Nuclear Information System (INIS)

    Akishina, T.P.; Ivanov, V.V.; Stepanenko, V.A.

    2013-01-01

    Among the key factors determining the processes of transcription and translation are the distributions of the electrostatic potentials of DNA, RNA and proteins. Calculations of electrostatic distributions and structure maps of biopolymers on computers are time consuming and require large computational resources. We developed the procedures for organization of massive calculations of electrostatic potentials and structure maps for biopolymers in a distributed computing environment (several thousands of cores).

  14. Performing three-dimensional neutral particle transport calculations on tera scale computers

    International Nuclear Information System (INIS)

    Woodward, C.S.; Brown, P.N.; Chang, B.; Dorr, M.R.; Hanebutte, U.R.

    1999-01-01

    A scalable, parallel code system to perform neutral particle transport calculations in three dimensions is presented. To utilize the hyper-cluster architecture of emerging tera scale computers, the parallel code successfully combines the MPI message passing and paradigms. The code's capabilities are demonstrated by a shielding calculation containing over 14 billion unknowns. This calculation was accomplished on the IBM SP ''ASCI-Blue-Pacific computer located at Lawrence Livermore National Laboratory (LLNL)

  15. Easy-to-use application programs for decay heat and delayed neutron calculations on personal computers

    Energy Technology Data Exchange (ETDEWEB)

    Oyamatsu, Kazuhiro [Nagoya Univ. (Japan)

    1998-03-01

    Application programs for personal computers are developed to calculate the decay heat power and delayed neutron activity from fission products. The main programs can be used in any computers from personal computers to main frames because their sources are written in Fortran. These programs have user friendly interfaces to be used easily not only for research activities but also for educational purposes. (author)

  16. Shielding Calculations for Positron Emission Tomography - Computed Tomography Facilities

    Energy Technology Data Exchange (ETDEWEB)

    Baasandorj, Khashbayar [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Yang, Jeongseon [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

    2015-10-15

    Integrated PET-CT has been shown to be more accurate for lesion localization and characterization than PET or CT alone, and the results obtained from PET and CT separately and interpreted side by side or following software based fusion of the PET and CT datasets. At the same time, PET-CT scans can result in high patient and staff doses; therefore, careful site planning and shielding of this imaging modality have become challenging issues in the field. In Mongolia, the introduction of PET-CT facilities is currently being considered in many hospitals. Thus, additional regulatory legislation for nuclear and radiation applications is necessary, for example, in regulating licensee processes and ensuring radiation safety during the operations. This paper aims to determine appropriate PET-CT shielding designs using numerical formulas and computer code. Since presently there are no PET-CT facilities in Mongolia, contact was made with radiological staff at the Nuclear Medicine Center of the National Cancer Center of Mongolia (NCCM) to get information about facilities where the introduction of PET-CT is being considered. Well-designed facilities do not require additional shielding, which should help cut down overall costs related to PET-CT installation. According to the results of this study, building barrier thicknesses of the NCCM building is not sufficient to keep radiation dose within the limits.

  17. Performance evaluation for compressible flow calculations on five parallel computers of different architectures

    International Nuclear Information System (INIS)

    Kimura, Toshiya.

    1997-03-01

    A two-dimensional explicit Euler solver has been implemented for five MIMD parallel computers of different machine architectures in Center for Promotion of Computational Science and Engineering of Japan Atomic Energy Research Institute. These parallel computers are Fujitsu VPP300, NEC SX-4, CRAY T94, IBM SP2, and Hitachi SR2201. The code was parallelized by several parallelization methods, and a typical compressible flow problem has been calculated for different grid sizes changing the number of processors. Their effective performances for parallel calculations, such as calculation speed, speed-up ratio and parallel efficiency, have been investigated and evaluated. The communication time among processors has been also measured and evaluated. As a result, the differences on the performance and the characteristics between vector-parallel and scalar-parallel computers can be pointed, and it will present the basic data for efficient use of parallel computers and for large scale CFD simulations on parallel computers. (author)

  18. Calculation of the D-COM blind problem with computer codes PIN and RELA

    International Nuclear Information System (INIS)

    Pazdera, F.; Barta, O.; Smid, J.

    1985-01-01

    The results of the blind and post-experimental calculations of the 'D-COM Blind Problem on Fission Gas Release', performed within the framework of the IAEA coordinated research programme for 'The Development of Computer Models for Fuel Element Behaviour in Water Reactors', are presented. The results are compared with experimental data. A sensitivity study shows a possible explanation of some discrepancies between calculated and experimental results during the bump test performed after base irradiation. The calculations were performed with the computer codes PIN and RELA. Some submodels used in the calculations are also described. (author)

  19. Neutron spectra calculation in material in order to compute irradiation damage

    International Nuclear Information System (INIS)

    Dupont, C.; Gonnord, J.; Le Dieu de Ville, A.; Nimal, J.C.; Totth, B.

    1982-01-01

    This short presentation will be on neutron spectra calculation methods in order to compute the damage rate formation in irradiated structure. Three computation schemes are used in the French C.E.A.: (1) 3-dimensional calculations using the line of sight attenuation method (MERCURE IV code), the removal cross section being obtained from an adjustment on a 1-dimensional transport calculation with the discrete ordinate code ANISN; (2) 2-dimensional calculations using the discrete ordinates method (DOT 3.5 code), 20 to 30 group library obtained by collapsing the 100 group a library on fluxes computed by ANISN; (3) 3-dimensional calculations using the Monte Carlo method (TRIPOLI system). The cross sections which originally came from UKNDL 73 and ENDF/B3 are now processed from ENDF B IV. (author)

  20. FLATT - a computer programme for calculating flow and temperature transients in nuclear fuels

    International Nuclear Information System (INIS)

    Venkat Raj, V.; Koranne, S.M.

    1976-01-01

    FLATT is a computer code written in Fortran language for BESM-6 computer. The code calculates the flow transients in the coolant circuit of a nuclear reactor, caused by pump failure, and the consequent temperature transients in the fuel, clad, and the coolant. In addition any desired flow transient can be fed into the programme and the resulting temperature transients can be calculated. A case study is also presented. (author)

  1. Some questions of using coding theory and analytical calculation methods on computers

    International Nuclear Information System (INIS)

    Nikityuk, N.M.

    1987-01-01

    Main results of investigations devoted to the application of theory and practice of correcting codes are presented. These results are used to create very fast units for the selection of events registered in multichannel detectors of nuclear particles. Using this theory and analytical computing calculations, practically new combination devices, for example, parallel encoders, have been developed. Questions concerning the creation of a new algorithm for the calculation of digital functions by computers and problems of devising universal, dynamically reprogrammable logic modules are discussed

  2. Calculation of radiation losses in cylinder symmetric high pressure discharges by means of a digital computer

    International Nuclear Information System (INIS)

    Andriessen, F.J.; Boerman, W.; Holtz, I.F.E.M.

    1973-08-01

    Computer calculations have been made of radiative energy losses in a cylindrically symmetric high pressure discharge. The calculations show that the radiation losses which occur in discharges at pressures of a few atmospheres and central temperatures of about 20000degK when compared with the electrical energy supplied, are only of importance in the neighbourhood of the centre of discharge

  3. Geochemical modelling. Whatif-AQ: a computer programme for speciation calculations

    International Nuclear Information System (INIS)

    Skytte-Jensen, B.; Jensen, H.; Nielsen, O.J.

    1985-01-01

    WHATIF-AQ is part of a family of programmes for calculations of geochemistry in the near-field of radioactive waste with temperature gradients. The computer programme presented in this report calculates speciation and saturation indices for an aqueous solution at temperatures between 0-125 0 C. This report also serves as a manual to the programme

  4. Computer program FPIP-REV calculates fission product inventory for U-235 fission

    Science.gov (United States)

    Brown, W. S.; Call, D. W.

    1967-01-01

    Computer program calculates fission product inventories and source strengths associated with the operation of U-235 fueled nuclear power reactor. It utilizes a fission-product nuclide library of 254 nuclides, and calculates the time dependent behavior of the fission product nuclides formed by fissioning of U-235.

  5. Increasing the computational speed of flash calculations with applications for compositional, transient simulations

    DEFF Research Database (Denmark)

    Rasmussen, Claus P.; Krejbjerg, Kristian; Michelsen, Michael Locht

    2006-01-01

    Approaches are presented for reducing the computation time spent on flash calculations in compositional, transient simulations. In a conventional flash calculation, the majority of the simulation time is spent on stability analysis, even for systems far into the single-phase region. A criterion has...

  6. COMPUTER PROGRAM FOR CALCULATION MICROCHANNEL HEAT EXCHANGERS FOR AIR CONDITIONING SYSTEMS

    Directory of Open Access Journals (Sweden)

    Olga V. Olshevska

    2016-08-01

    Full Text Available Creating a computer program to calculate microchannel air condensers to reduce design time and carrying out variant calculations. Software packages for thermophysical properties of the working substance and the coolant, the correlation equation for calculating heat transfer, aerodynamics and hydrodynamics, the thermodynamic equations for the irreversible losses and their minimization in the heat exchanger were used in the process of creating. Borland Delphi 7 is used for creating software package.

  7. On application of analytical transformation system using a computer for Feynman intearal calculation

    International Nuclear Information System (INIS)

    Gerdt, V.P.

    1978-01-01

    Various systems of analytic transformations for the calculation of Feynman integrals using computers are discussed. The hyperspheric technique Which is used to calculate Feynman integrals enables to perform angular integration for a set of diagrams, thus reducing the multiplicity of integral. All calculations based on this method are made with the ASHMEDAL program. Feynman integrals are calculated in Euclidean space using integration by parts and some differential identities. Analytic calculation of Feynman integral is performed by the MACSYMA system. Dispersion method of integral calculation is implemented in the SCHOONSCHIP system, calculations based on features of Nielsen function are made using efficient SINAC and RSIN programs. A tube of basic Feynman integral parameters calculated using the above techniques is given

  8. Review of calculational models and computer codes for environmental dose assessment of radioactive releases

    International Nuclear Information System (INIS)

    Strenge, D.L.; Watson, E.C.; Droppo, J.G.

    1976-06-01

    The development of technological bases for siting nuclear fuel cycle facilities requires calculational models and computer codes for the evaluation of risks and the assessment of environmental impact of radioactive effluents. A literature search and review of available computer programs revealed that no one program was capable of performing all of the great variety of calculations (i.e., external dose, internal dose, population dose, chronic release, accidental release, etc.). Available literature on existing computer programs has been reviewed and a description of each program reviewed is given

  9. Review of calculational models and computer codes for environmental dose assessment of radioactive releases

    Energy Technology Data Exchange (ETDEWEB)

    Strenge, D.L.; Watson, E.C.; Droppo, J.G.

    1976-06-01

    The development of technological bases for siting nuclear fuel cycle facilities requires calculational models and computer codes for the evaluation of risks and the assessment of environmental impact of radioactive effluents. A literature search and review of available computer programs revealed that no one program was capable of performing all of the great variety of calculations (i.e., external dose, internal dose, population dose, chronic release, accidental release, etc.). Available literature on existing computer programs has been reviewed and a description of each program reviewed is given.

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

    International Nuclear Information System (INIS)

    El-Osery, I.A.

    1981-01-01

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

  11. A model for calculating the optimal replacement interval of computer systems

    International Nuclear Information System (INIS)

    Fujii, Minoru; Asai, Kiyoshi

    1981-08-01

    A mathematical model for calculating the optimal replacement interval of computer systems is described. This model is made to estimate the best economical interval of computer replacement when computing demand, cost and performance of computer, etc. are known. The computing demand is assumed to monotonously increase every year. Four kinds of models are described. In the model 1, a computer system is represented by only a central processing unit (CPU) and all the computing demand is to be processed on the present computer until the next replacement. On the other hand in the model 2, the excessive demand is admitted and may be transferred to other computing center and processed costly there. In the model 3, the computer system is represented by a CPU, memories (MEM) and input/output devices (I/O) and it must process all the demand. Model 4 is same as model 3, but the excessive demand is admitted to be processed in other center. (1) Computing demand at the JAERI, (2) conformity of Grosch's law for the recent computers, (3) replacement cost of computer systems, etc. are also described. (author)

  12. Computer codes used in the calculation of high-temperature thermodynamic properties of sodium

    International Nuclear Information System (INIS)

    Fink, J.K.

    1979-12-01

    Three computer codes - SODIPROP, NAVAPOR, and NASUPER - were written in order to calculate a self-consistent set of thermodynamic properties for saturated, subcooled, and superheated sodium. These calculations incorporate new critical parameters (temperature, pressure, and density) and recently derived single equations for enthalpy and vapor pressure. The following thermodynamic properties have been calculated in these codes: enthalpy, heat capacity, entropy, vapor pressure, heat of vaporization, density, volumetric thermal expansion coefficient, compressibility, and thermal pressure coefficient. In the code SODIPROP, these properties are calculated for saturated and subcooled liquid sodium. Thermodynamic properties of saturated sodium vapor are calculated in the code NAVAPOR. The code NASUPER calculates thermodynamic properties for super-heated sodium vapor only for low (< 1644 K) temperatures. No calculations were made for the supercritical region

  13. Parallel diffusion calculation for the PHAETON on-line multiprocessor computer

    International Nuclear Information System (INIS)

    Collart, J.M.; Fedon-Magnaud, C.; Lautard, J.J.

    1987-04-01

    The aim of the PHAETON project is the design of an on-line computer in order to increase the immediate knowledge of the main operating and safety parameters in power plants. A significant stage is the computation of the three dimensional flux distribution. For cost and safety reason a computer based on a parallel microprocessor architecture has been studied. This paper presents a first approach to parallelized three dimensional diffusion calculation. A computing software has been written and built in a four processors demonstrator. We present the realization in progress, concerning the final equipment. 8 refs

  14. HADOC: a computer code for calculation of external and inhalation doses from acute radionuclide releases

    International Nuclear Information System (INIS)

    Strenge, D.L.; Peloquin, R.A.

    1981-04-01

    The computer code HADOC (Hanford Acute Dose Calculations) is described and instructions for its use are presented. The code calculates external dose from air submersion and inhalation doses following acute radionuclide releases. Atmospheric dispersion is calculated using the Hanford model with options to determine maximum conditions. Building wake effects and terrain variation may also be considered. Doses are calculated using dose conversion factor supplied in a data library. Doses are reported for one and fifty year dose commitment periods for the maximum individual and the regional population (within 50 miles). The fractional contribution to dose by radionuclide and exposure mode are also printed if requested

  15. PABLM: a computer program to calculate accumulated radiation doses from radionuclides in the environment

    International Nuclear Information System (INIS)

    Napier, B.A.; Kennedy, W.E. Jr.; Soldat, J.K.

    1980-03-01

    A computer program, PABLM, was written to facilitate the calculation of internal radiation doses to man from radionuclides in food products and external radiation doses from radionuclides in the environment. This report contains details of mathematical models used and calculational procedures required to run the computer program. Radiation doses from radionuclides in the environment may be calculated from deposition on the soil or plants during an atmospheric or liquid release, or from exposure to residual radionuclides in the environment after the releases have ended. Radioactive decay is considered during the release of radionuclides, after they are deposited on the plants or ground, and during holdup of food after harvest. The radiation dose models consider several exposure pathways. Doses may be calculated for either a maximum-exposed individual or for a population group. The doses calculated are accumulated doses from continuous chronic exposure. A first-year committed dose is calculated as well as an integrated dose for a selected number of years. The equations for calculating internal radiation doses are derived from those given by the International Commission on Radiological Protection (ICRP) for body burdens and MPC's of each radionuclide. The radiation doses from external exposure to contaminated water and soil are calculated using the basic assumption that the contaminated medium is large enough to be considered an infinite volume or plane relative to the range of the emitted radiations. The equations for calculations of the radiation dose from external exposure to shoreline sediments include a correction for the finite width of the contaminated beach

  16. Microcomputers, desk calculators and process computers for use in radiation protection

    International Nuclear Information System (INIS)

    Burgkhardt, B.; Nolte, G.; Schollmeier, W.; Rau, G.

    1983-01-01

    The goals achievable, or to be pursued, in radiation protection measurement and evaluation by using computers are explained. As there is a large variety of computers available offering a likewise large variety, of performances, use of a computer is justified even for minor measuring and evaluation tasks. The subdivision into: Microcomputers as an installed part of measuring equipment; measuring and evaluation systems with desk calculators; measuring and evaluation systems with process computers is done to explain the importance and extent of the measuring or evaluation tasks and the computing devices suitable for the various purposes. The special requirements to be met in order to fulfill the different tasks are discussed, both in terms of hardware and software and in terms of skill and knowledge of the personnel, and are illustrated by an example showing the usefulness of computers in radiation protection. (orig./HP) [de

  17. Calculation of Plutonium content in RSG-GAS spent fuel using IAFUEL computer code

    International Nuclear Information System (INIS)

    Mochamad-Imron

    2003-01-01

    It has been calculated the contain of isotopes Pu-239, Pu-240, Pu-241, and isotope Pu-242 in MTR reactor fuel types which have U-235 contain about 250 gram. The calculation was performed in three steps. The first step is to determine the library of calculation output of BOC (Beginning of Cycle). The second step is to determine the core isotope density, the weight of plutonium for one core, and one fuel isotope density. The third step is to calculate weight of plutonium in gram. All calculation is performed by IAFUEL computer code. The calculation was produced content of each Pu isotopes were Pu-239 is 6.7666 gr, Pu-240 is 1.4628 gr, Pu-241 is 0.52951 gr, and Pu-242 is 0.068952 gr

  18. Depth compensating calculation method of computer-generated holograms using symmetry and similarity of zone plates

    Science.gov (United States)

    Wei, Hui; Gong, Guanghong; Li, Ni

    2017-10-01

    Computer-generated hologram (CGH) is a promising 3D display technology while it is challenged by heavy computation load and vast memory requirement. To solve these problems, a depth compensating CGH calculation method based on symmetry and similarity of zone plates is proposed and implemented on graphics processing unit (GPU). An improved LUT method is put forward to compute the distances between object points and hologram pixels in the XY direction. The concept of depth compensating factor is defined and used for calculating the holograms of points with different depth positions instead of layer-based methods. The proposed method is suitable for arbitrary sampling objects with lower memory usage and higher computational efficiency compared to other CGH methods. The effectiveness of the proposed method is validated by numerical and optical experiments.

  19. GENGTC-JB: a computer program to calculate temperature distribution for cylindrical geometry capsule

    International Nuclear Information System (INIS)

    Someya, Hiroyuki; Kobayashi, Toshiki; Niimi, Motoji; Hoshiya, Taiji; Harayama, Yasuo

    1987-09-01

    In design of JMTR irradiation capsules contained specimens, a program (named GENGTC) has been generally used to evaluate temperature distributions in the capsules. The program was originally compiled by ORNL(U.S.A.) and consisted of very simple calculation methods. From the incorporated calculation methods, the program is easy to use, and has many applications to the capsule design. However, it was considered to replace original computing methods with advanced ones, when the program was checked from a standpoint of the recent computer abilities, and also to be complicated in data input. Therefore, the program was versioned up as aim to make better calculations and improve input method. The present report describes revised calculation methods and input/output guide of the version-up program. (author)

  20. SUBDOSA: a computer program for calculating external doses from accidental atmospheric releases of radionuclides

    International Nuclear Information System (INIS)

    Strenge, D.L.; Watson, E.C.; Houston, J.R.

    1975-06-01

    A computer program, SUBDOSA, was developed for calculating external γ and β doses to individuals from the accidental release of radionuclides to the atmosphere. Characteristics of SUBDOSA are: doses from both γ and β radiation are calculated as a function of depth in tissue, summed and reported as skin, eye, gonadal, and total body dose; doses are calculated for releases within each of several release time intervals and nuclide inventories and atmospheric dispersion conditions are considered for each time interval; radioactive decay is considered during the release and/or transit using a chain decay scheme with branching to account for transitions to and from isomeric states; the dose from gamma radiation is calculated using a numerical integration technique to account for the finite size of the plume; and the program computes and lists the normalized air concentrations at ground level as a function of distance from the point of release. (auth)

  1. A computer program to calculate the committed dose equivalent after the inhalation of radioactivity

    International Nuclear Information System (INIS)

    Van der Woude, S.

    1989-03-01

    A growing number of people are, as part of their occupation, at risk of being exposed to radiation originating from sources inside their bodies. The quantification of this exposure is an important part of health physics. The International Commission on Radiological Protection (ICRP) developed a first-order kinetics compartmental model to determine the transport of radioactive material through the human body. The model and the parameters involved in its use, are discussed. A versatile computer program was developed to do the following after the in vivo measurement of either the organ- or whole-body activity: calculate the original amount of radioactive material which was inhaled (intake) by employing the ICRP compartmental model of the human body; compare this intake to calculated reference levels and state any action to be taken for the case under consideration; calculate the committed dose equivalent resulting from this intake. In the execution of the above-mentioned calculations, the computer program makes provision for different aerosol particle sizes and the effect of previous intakes. Model parameters can easily be changed to take the effects of, for instance, medical intervention into account. The computer program and the organization of the data in the input files are such that the computer program can be applied to any first-order kinetics compartmental model. The computer program can also conveniently be used for research on problems related to the application of the ICRP model. 18 refs., 25 figs., 5 tabs

  2. Calculating computer-generated optical elements to produce arbitrary intensity distributions

    International Nuclear Information System (INIS)

    Findlay, S.; Nugent, K.A.; Scholten, R.E.

    2000-01-01

    Full text: We describe preliminary investigation into using a computer to generate optical elements (CGOEs) with phase-only variation, that will produce an arbitrary intensity distribution in a given image plane. An iterative calculation cycles between the CGOE and the image plane and modifies each according to the appropriate constraints. We extend this to the calculation of defined intensity distributions in two separated planes by modifying both phase and intensity at the CGOE

  3. Calculation of shipboard fire conditions for radioactive materials packages with the methods of computational fluid dynamics

    International Nuclear Information System (INIS)

    Koski, J.A.; Wix, S.D.; Cole, J.K.

    1997-09-01

    Shipboard fires both in the same ship hold and in an adjacent hold aboard a break-bulk cargo ship are simulated with a commercial finite-volume computational fluid mechanics code. The fire models and modeling techniques are described and discussed. Temperatures and heat fluxes to a simulated materials package are calculated and compared to experimental values. The overall accuracy of the calculations is assessed

  4. FISPRO: a simplified computer program for general fission product formation and decay calculations

    International Nuclear Information System (INIS)

    Jiacoletti, R.J.; Bailey, P.G.

    1979-08-01

    This report describes a computer program that solves a general form of the fission product formation and decay equations over given time steps for arbitrary decay chains composed of up to three nuclides. All fission product data and operational history data are input through user-defined input files. The program is very useful in the calculation of fission product activities of specific nuclides for various reactor operational histories and accident consequence calculations

  5. Computer calculation of dose distributions in radiotherapy. Report of a panel

    International Nuclear Information System (INIS)

    1966-01-01

    As in most areas of scientific endeavour, the advent of electronic computers has made a significant impact on the investigation of the physical aspects of radiotherapy. Since the first paper on the subject was published in 1955 the literature has rapidly expanded to include the application of computer techniques to problems of external beam, and intracavitary and interstitial dosimetry. By removing the tedium of lengthy repetitive calculations, the availability of automatic computers has encouraged physicists and radiotherapists to take a fresh look at many fundamental physical problems of radiotherapy. The most important result of the automation of dosage calculations is not simply an increase in the quantity of data but an improvement in the quality of data available as a treatment guide for the therapist. In October 1965 the International Atomic Energy Agency convened a panel in Vienna on the 'Use of Computers for Calculation of Dose Distributions in Radiotherapy' to assess the current status of work, provide guidelines for future research, explore the possibility of international cooperation and make recommendations to the Agency. The panel meeting was attended by 15 participants from seven countries, one observer, and two representatives of the World Health Organization. Participants contributed 20 working papers which served as the bases of discussion. By the nature of the work, computer techniques have been developed by a few advanced centres with access to large computer installations. However, several computer methods are now becoming 'routine' and can be used by institutions without facilities for research. It is hoped that the report of the Panel will provide a comprehensive view of the automatic computation of radiotherapeutic dose distributions and serve as a means of communication between present and potential users of computers

  6. Calculations of reactor-accident consequences, Version 2. CRAC2: computer code user's guide

    International Nuclear Information System (INIS)

    Ritchie, L.T.; Johnson, J.D.; Blond, R.M.

    1983-02-01

    The CRAC2 computer code is a revision of the Calculation of Reactor Accident Consequences computer code, CRAC, developed for the Reactor Safety Study. The CRAC2 computer code incorporates significant modeling improvements in the areas of weather sequence sampling and emergency response, and refinements to the plume rise, atmospheric dispersion, and wet deposition models. New output capabilities have also been added. This guide is to facilitate the informed and intelligent use of CRAC2. It includes descriptions of the input data, the output results, the file structures, control information, and five sample problems

  7. A finite element computer program for the calculation of the resonant frequencies of anisotropic materials

    International Nuclear Information System (INIS)

    Fleury, W.H.; Rosinger, H.E.; Ritchie, I.G.

    1975-09-01

    A set of computer programs for the calculation of the flexural and torsional resonant frequencies of rectangular section bars of materials of orthotropic or higher symmetry are described. The calculations are used in the experimental determination and verification of the elastic constants of anisotropic materials. The simple finite element technique employed separates the inertial and elastic properties of the beam element into station and field transfer matrices respectively. It includes the Timoshenko beam corrections for flexure and Lekhnitskii's theory for torsion-flexure coupling. The programs also calculate the vibration shapes and surface nodal contours or Chladni figures of the vibration modes. (author)

  8. Installation and testing of the ERANOS computer code for fast reactor calculations

    International Nuclear Information System (INIS)

    Gren, Milan

    2010-12-01

    The French ERANOS computer code was acquired and tested by solving benchmark problems. Five problems were calculated: 1D XZ Model, 1D RZ Model, 3D HEX SNR 300 reactor, 2S HEX and 3D HEX VVER 440 reactor. The multi-group diffuse approximation was used. The multiplication coefficients were compared within the first problem, neutron flux density in the calculation points was obtained within the second problem, and powers in the various reactor areas and in the assemblies were calculated within the remaining problems. (P.A.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-07-01

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

  10. Mathematical model of accelerator output characteristics and their calculation on a computer

    International Nuclear Information System (INIS)

    Mishulina, O.A.; Ul'yanina, M.N.; Kornilova, T.V.

    1975-01-01

    A mathematical model is described of output characteristics of a linear accelerator. The model is a system of differential equations. Presence of phase limitations is a specific feature of setting the problem which makes it possible to ensure higher simulation accuracy and determine a capture coefficient. An algorithm is elaborated of computing output characteristics based upon the mathematical model suggested. A capture coefficient, coordinate expectation characterizing an average phase value of the beam particles, coordinate expectation characterizing an average value of the reverse relative velocity of the beam particles as well as dispersion of these coordinates are output characteristics of the accelerator. Calculation methods of the accelerator output characteristics are described in detail. The computations have been performed on the BESM-6 computer, the characteristics computing time being 2 min 20 sec. Relative error of parameter computation averages 10 -2

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

    Directory of Open Access Journals (Sweden)

    Akihito Kikuchi

    2013-04-01

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

  12. Using the calculational simulating complexes when making the computer process control systems for NPP

    International Nuclear Information System (INIS)

    Zimakov, V.N.; Chernykh, V.P.

    1998-01-01

    The problems on creating calculational-simulating (CSC) and their application by developing the program and program-technical means for computer-aided process control systems at NPP are considered. The abo- ve complex is based on the all-mode real time mathematical model, functioning at a special complex of computerized means

  13. Atmospheric dispersion calculation for posturated accident of nuclear facilities and the computer code: PANDA

    International Nuclear Information System (INIS)

    Kitahara, Yoshihisa; Kishimoto, Yoichiro; Narita, Osamu; Shinohara, Kunihiko

    1979-01-01

    Several Calculation methods for relative concentration (X/Q) and relative cloud-gamma dose (D/Q) of the radioactive materials released from nuclear facilities by posturated accident are presented. The procedure has been formulated as a Computer program PANDA and the usage is explained. (author)

  14. A FORTRAN program for an IBM PC compatible computer for calculating kinematical electron diffraction patterns

    International Nuclear Information System (INIS)

    Skjerpe, P.

    1989-01-01

    This report describes a computer program which is useful in transmission electron microscopy. The program is written in FORTRAN and calculates kinematical electron diffraction patterns in any zone axis from a given crystal structure. Quite large unit cells, containing up to 2250 atoms, can be handled by the program. The program runs on both the Helcules graphic card and the standard IBM CGA card

  15. Computer code calculations of the TMI-2 accident: initial and boundary conditions

    International Nuclear Information System (INIS)

    Behling, S.R.

    1985-05-01

    Initial and boundary conditions during the Three Mile Island Unit 2 (TMI-2) accident are described and detailed. A brief description of the TMI-2 plant configuration is given. Important contributions to the progression of the accident in the reactor coolant system are discussed. Sufficient information is provided to allow calculation of the TMI-2 accident with computer codes

  16. LALAGE - a computer program to calculate the TM01 modes of cylindrically symmetrical multicell resonant structures

    International Nuclear Information System (INIS)

    Fernandes, P.

    1982-01-01

    An improvement has been made to the LALA program to compute resonant frequencies and fields for all the modes of the lowest TM 01 band-pass of multicell structures. The results are compared with those calculated by another popular rf cavity code and with experimentally measured quantities. (author)

  17. Easy calculations of lod scores and genetic risks on small computers.

    Science.gov (United States)

    Lathrop, G M; Lalouel, J M

    1984-01-01

    A computer program that calculates lod scores and genetic risks for a wide variety of both qualitative and quantitative genetic traits is discussed. An illustration is given of the joint use of a genetic marker, affection status, and quantitative information in counseling situations regarding Duchenne muscular dystrophy. PMID:6585139

  18. The utilization of Quabox/Cubox computer program for calculating Angra 1 Reactor core

    International Nuclear Information System (INIS)

    Pina, C.M. de.

    1981-01-01

    The utilization of Quabox/Cubox computer codes for calculating Angra 1 reactor core is studied. The results shows a dependency between the spent CPU time and the curacy of thermal power distribution in function of the polinomial expansion used. Comparison were mode between Citation code and some results from Westinghouse [pt

  19. Computer program TMOC for calculating of pressure transients in fluid filled piping networks

    International Nuclear Information System (INIS)

    Siikonen, T.

    1978-01-01

    The propagation of a pressure wave in fluid filles tubes is significantly affected by the pipe wall motion and vice versa. A computer code TMOC (Transients by the Method of Characteristics) is being developed for the analysis of the coupled fluid and pipe wall transients. Because of the structural feedback, the pressure can be calculated more accurately than in the programs commonly used. (author)

  20. Computer program for calculation of complex chemical equilibrium compositions and applications. Supplement 1: Transport properties

    Science.gov (United States)

    Gordon, S.; Mcbride, B.; Zeleznik, F. J.

    1984-01-01

    An addition to the computer program of NASA SP-273 is given that permits transport property calculations for the gaseous phase. Approximate mixture formulas are used to obtain viscosity and frozen thermal conductivity. Reaction thermal conductivity is obtained by the same method as in NASA TN D-7056. Transport properties for 154 gaseous species were selected for use with the program.

  1. Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

    Science.gov (United States)

    Gordon, Sanford; Mcbride, Bonnie J.

    1994-01-01

    This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

  2. Calculating the mounting parameters for Taylor Spatial Frame correction using computed tomography.

    Science.gov (United States)

    Kucukkaya, Metin; Karakoyun, Ozgur; Armagan, Raffi; Kuzgun, Unal

    2011-07-01

    The Taylor Spatial Frame uses a computer program-based six-axis deformity analysis. However, there is often a residual deformity after the initial correction, especially in deformities with a rotational component. This problem can be resolved by recalculating the parameters and inputting all new deformity and mounting parameters. However, this may necessitate repeated x-rays and delay treatment. We believe that error in the mounting parameters is the main reason for most residual deformities. To prevent these problems, we describe a new calculation technique for determining the mounting parameters that uses computed tomography. This technique is especially advantageous for deformities with a rotational component. Using this technique, exact calculation of the mounting parameters is possible and the residual deformity and number of repeated x-rays can be minimized. This new technique is an alternative method to accurately calculating the mounting parameters.

  3. Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU-GPU Computing Platform.

    Science.gov (United States)

    Wu, Xin; Koslowski, Axel; Thiel, Walter

    2012-07-10

    In this work, we demonstrate that semiempirical quantum chemical calculations can be accelerated significantly by leveraging the graphics processing unit (GPU) as a coprocessor on a hybrid multicore CPU-GPU computing platform. Semiempirical calculations using the MNDO, AM1, PM3, OM1, OM2, and OM3 model Hamiltonians were systematically profiled for three types of test systems (fullerenes, water clusters, and solvated crambin) to identify the most time-consuming sections of the code. The corresponding routines were ported to the GPU and optimized employing both existing library functions and a GPU kernel that carries out a sequence of noniterative Jacobi transformations during pseudodiagonalization. The overall computation times for single-point energy calculations and geometry optimizations of large molecules were reduced by one order of magnitude for all methods, as compared to runs on a single CPU core.

  4. PABLM: a computer program to calculate accumulated radiation doses from radionuclides in the environment

    Energy Technology Data Exchange (ETDEWEB)

    Napier, B.A.; Kennedy, W.E. Jr.; Soldat, J.K.

    1980-03-01

    A computer program, PABLM, was written to facilitate the calculation of internal radiation doses to man from radionuclides in food products and external radiation doses from radionuclides in the environment. This report contains details of mathematical models used and calculational procedures required to run the computer program. Radiation doses from radionuclides in the environment may be calculated from deposition on the soil or plants during an atmospheric or liquid release, or from exposure to residual radionuclides in the environment after the releases have ended. Radioactive decay is considered during the release of radionuclides, after they are deposited on the plants or ground, and during holdup of food after harvest. The radiation dose models consider several exposure pathways. Doses may be calculated for either a maximum-exposed individual or for a population group. The doses calculated are accumulated doses from continuous chronic exposure. A first-year committed dose is calculated as well as an integrated dose for a selected number of years. The equations for calculating internal radiation doses are derived from those given by the International Commission on Radiological Protection (ICRP) for body burdens and MPC's of each radionuclide. The radiation doses from external exposure to contaminated water and soil are calculated using the basic assumption that the contaminated medium is large enough to be considered an infinite volume or plane relative to the range of the emitted radiations. The equations for calculations of the radiation dose from external exposure to shoreline sediments include a correction for the finite width of the contaminated beach.

  5. Citham a computer code for calculating fuel depletion-description, tests, modifications and evaluation

    International Nuclear Information System (INIS)

    Alvarenga, M.A.B.

    1984-12-01

    The CITHAN computer code was developed at IPEN (Instituto de Pesquisas Energeticas e Nucleares) to link the HAMMER computer code with a fuel depletion routine and to provide neutron cross sections to be read with the appropriate format of the CITATION code. The problem arised due to the efforts to addapt the new version denomined HAMMER-TECHION with the routine refered. The HAMMER-TECHION computer code was elaborated by Haifa Institute, Israel within a project with EPRI. This version is at CNEN to be used in multigroup constant generation for neutron diffusion calculation in the scope of the new methodology to be adopted by CNEN. The theoretical formulation of CITHAM computer code, tests and modificatins are described. (Author) [pt

  6. TEMP: a computer code to calculate fuel pin temperatures during a transient

    International Nuclear Information System (INIS)

    Bard, F.E.; Christensen, B.Y.; Gneiting, B.C.

    1980-04-01

    The computer code TEMP calculates fuel pin temperatures during a transient. It was developed to accommodate temperature calculations in any system of axi-symmetric concentric cylinders. When used to calculate fuel pin temperatures, the code will handle a fuel pin as simple as a solid cylinder or as complex as a central void surrounded by fuel that is broken into three regions by two circumferential cracks. Any fuel situation between these two extremes can be analyzed along with additional cladding, heat sink, coolant or capsule regions surrounding the fuel. The one-region version of the code accurately calculates the solution to two problems having closed-form solutions. The code uses an implicit method, an explicit method and a Crank-Nicolson (implicit-explicit) method

  7. UNIDOSE - a computer program for the calculation of individual and collective doses from airborne radioactive pollutants

    International Nuclear Information System (INIS)

    Karlberg, O.; Schwartz, H.; Forssen, B.-H.; Marklund, J.-E.

    1979-01-01

    UNIDOSE is a program system for calculating the consequences of a radioactive release to the atmosphere. The program is applicable for computation of dispersion in a rnage of 0 - 50 km from the release point. The Gaussion plume model is used for calculating the external dose from activity in the atmosphere, on the ground and the internal dose via inhalation. Radioactive decay, as well as growth and decay of daughter products are accounted for. The influence of dry deposition and wash-out are also considered. It is possible to treat time-dependent release-rates of 1 - 24 hours duration and constant release-rates for up to one year. The program system also contains routines for the calculation of collective dose and health effects. The system operates in a statistical manner. Many weather-situations, based on measured data, can be analysed and statistical properties, such as cumulative frequences, can be calculated. (author)

  8. Computer Programs for Calculating and Plotting the Stability Characteristics of a Balloon Tethered in a Wind

    Science.gov (United States)

    Bennett, R. M.; Bland, S. R.; Redd, L. T.

    1973-01-01

    Computer programs for calculating the stability characteristics of a balloon tethered in a steady wind are presented. Equilibrium conditions, characteristic roots, and modal ratios are calculated for a range of discrete values of velocity for a fixed tether-line length. Separate programs are used: (1) to calculate longitudinal stability characteristics, (2) to calculate lateral stability characteristics, (3) to plot the characteristic roots versus velocity, (4) to plot the characteristic roots in root-locus form, (5) to plot the longitudinal modes of motion, and (6) to plot the lateral modes for motion. The basic equations, program listings, and the input and output data for sample cases are presented, with a brief discussion of the overall operation and limitations. The programs are based on a linearized, stability-derivative type of analysis, including balloon aerodynamics, apparent mass, buoyancy effects, and static forces which result from the tether line.

  9. Uncertainties in source term calculations generated by the ORIGEN2 computer code for Hanford Production Reactors

    International Nuclear Information System (INIS)

    Heeb, C.M.

    1991-03-01

    The ORIGEN2 computer code is the primary calculational tool for computing isotopic source terms for the Hanford Environmental Dose Reconstruction (HEDR) Project. The ORIGEN2 code computes the amounts of radionuclides that are created or remain in spent nuclear fuel after neutron irradiation and radioactive decay have occurred as a result of nuclear reactor operation. ORIGEN2 was chosen as the primary code for these calculations because it is widely used and accepted by the nuclear industry, both in the United States and the rest of the world. Its comprehensive library of over 1,600 nuclides includes any possible isotope of interest to the HEDR Project. It is important to evaluate the uncertainties expected from use of ORIGEN2 in the HEDR Project because these uncertainties may have a pivotal impact on the final accuracy and credibility of the results of the project. There are three primary sources of uncertainty in an ORIGEN2 calculation: basic nuclear data uncertainty in neutron cross sections, radioactive decay constants, energy per fission, and fission product yields; calculational uncertainty due to input data; and code uncertainties (i.e., numerical approximations, and neutron spectrum-averaged cross-section values from the code library). 15 refs., 5 figs., 5 tabs

  10. Reactor physics simulations with coupled Monte Carlo calculation and computational fluid dynamics

    International Nuclear Information System (INIS)

    Seker, V.; Thomas, J.W.; Downar, T.J.

    2007-01-01

    A computational code system based on coupling the Monte Carlo code MCNP5 and the Computational Fluid Dynamics (CFD) code STAR-CD was developed as an audit tool for lower order nuclear reactor calculations. This paper presents the methodology of the developed computer program 'McSTAR'. McSTAR is written in FORTRAN90 programming language and couples MCNP5 and the commercial CFD code STAR-CD. MCNP uses a continuous energy cross section library produced by the NJOY code system from the raw ENDF/B data. A major part of the work was to develop and implement methods to update the cross section library with the temperature distribution calculated by STARCD for every region. Three different methods were investigated and implemented in McSTAR. The user subroutines in STAR-CD are modified to read the power density data and assign them to the appropriate variables in the program and to write an output data file containing the temperature, density and indexing information to perform the mapping between MCNP and STAR-CD cells. Preliminary testing of the code was performed using a 3x3 PWR pin-cell problem. The preliminary results are compared with those obtained from a STAR-CD coupled calculation with the deterministic transport code DeCART. Good agreement in the k eff and the power profile was observed. Increased computational capabilities and improvements in computational methods have accelerated interest in high fidelity modeling of nuclear reactor cores during the last several years. High-fidelity has been achieved by utilizing full core neutron transport solutions for the neutronics calculation and computational fluid dynamics solutions for the thermal-hydraulics calculation. Previous researchers have reported the coupling of 3D deterministic neutron transport method to CFD and their application to practical reactor analysis problems. One of the principal motivations of the work here was to utilize Monte Carlo methods to validate the coupled deterministic neutron transport

  11. Guide for licensing evaluations using CRAC2: A computer program for calculating reactor accident consequences

    International Nuclear Information System (INIS)

    White, J.E.; Roussin, R.W.; Gilpin, H.

    1988-12-01

    A version of the CRAC2 computer code applicable for use in analyses of consequences and risks of reactor accidents in case work for environmental statements has been implemented for use on the Nuclear Regulatory Commission Data General MV/8000 computer system. Input preparation is facilitated through the use of an interactive computer program which operates on an IBM personal computer. The resulting CRAC2 input deck is transmitted to the MV/8000 by using an error-free file transfer mechanism. To facilitate the use of CRAC2 at NRC, relevant background material on input requirements and model descriptions has been extracted from four reports - ''Calculations of Reactor Accident Consequences,'' Version 2, NUREG/CR-2326 (SAND81-1994) and ''CRAC2 Model Descriptions,'' NUREG/CR-2552 (SAND82-0342), ''CRAC Calculations for Accident Sections of Environmental Statements, '' NUREG/CR-2901 (SAND82-1693), and ''Sensitivity and Uncertainty Studies of the CRAC2 Computer Code,'' NUREG/CR-4038 (ORNL-6114). When this background information is combined with instructions on the input processor, this report provides a self-contained guide for preparing CRAC2 input data with a specific orientation toward applications on the MV/8000. 8 refs., 11 figs., 10 tabs

  12. CREST : a computer program for the calculation of composition dependent self-shielded cross-sections

    International Nuclear Information System (INIS)

    Kapil, S.K.

    1977-01-01

    A computer program CREST for the calculation of the composition and temperature dependent self-shielded cross-sections using the shielding factor approach has been described. The code includes the editing and formation of the data library, calculation of the effective shielding factors and cross-sections, a fundamental mode calculation to generate the neutron spectrum for the system which is further used to calculate the effective elastic removal cross-sections. Studies to explore the sensitivity of reactor parameters to changes in group cross-sections can also be carried out by using the facility available in the code to temporarily change the desired constants. The final self-shielded and transport corrected group cross-sections can be dumped on cards or magnetic tape in a suitable form for their direct use in a transport or diffusion theory code for detailed reactor calculations. The program is written in FORTRAN and can be accommodated in a computer with 32 K work memory. The input preparation details, sample problem and the listing of the program are given. (author)

  13. A compilation of structural property data for computer impact calculation (1/5)

    International Nuclear Information System (INIS)

    Ikushima, Takeshi; Nagata, Norio.

    1988-10-01

    The paper describes structural property data for computer impact calculations of nuclear fuel shipping casks. Four kinds of material data, mild steel, stainless steel, lead and wood are compiled. These materials are main structural elements of shipping casks. Structural data such as, the coefficient of thermal expansion, the modulus of longitudinal elasticity, the modulus of transverse elasticity, the Poisson's ratio and stress and strain relationships, have been tabulated against temperature or strain rate. This volume 1 involve structural property data and data processing computer program. (author)

  14. VAMPIR - A two-group two-dimensional diffusion computer code for burnup calculation

    International Nuclear Information System (INIS)

    Zmijarevic, I.; Petrovic, I.

    1985-01-01

    VAMPIR is a computer code which simulates the burnup within a reactor coe. It computes the neutron flux, power distribution and burnup taking into account spatial variations of temperature and xenon poisoning. Its overall reactor calculation uses diffusion theory with finite differences approximation in X-Y or R-Z geometry. Two-group macroscopic cross section data are prepared by the lattice cell code WIMS-D4 and stored in the library form of multi entry tabulation against the various parameters that significantly affect the physical conditions in the reactor core. herein, the main features of the program are presented. (author)

  15. TRANGE: computer code to calculate the energy beam degradation in target stack

    International Nuclear Information System (INIS)

    Bellido, Luis F.

    1995-07-01

    A computer code to calculate the projectile energy degradation along a target stack was developed for an IBM or compatible personal microcomputer. A comparison of protons and deuterons bombarding uranium and aluminium targets was made. The results showed that the data obtained with TRANGE were in agreement with other computers code such as TRIM, EDP and also using Williamsom and Janni range and stopping power tables. TRANGE can be used for any charged particle ion, for energies between 1 to 100 MeV, in metal foils and solid compounds targets. (author). 8 refs., 2 tabs

  16. An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

    Science.gov (United States)

    Pratt, B. S.; Pratt, D. T.

    1984-01-01

    A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces.

  17. Implementation of a Thermodynamic Solver within a Computer Program for Calculating Fission-Product Release Fractions

    Science.gov (United States)

    Barber, Duncan Henry

    During some postulated accidents at nuclear power stations, fuel cooling may be impaired. In such cases, the fuel heats up and the subsequent increased fission-gas release from the fuel to the gap may result in fuel sheath failure. After fuel sheath failure, the barrier between the coolant and the fuel pellets is lost or impaired, gases and vapours from the fuel-to-sheath gap and other open voids in the fuel pellets can be vented. Gases and steam from the coolant can enter the broken fuel sheath and interact with the fuel pellet surfaces and the fission-product inclusion on the fuel surface (including material at the surface of the fuel matrix). The chemistry of this interaction is an important mechanism to model in order to assess fission-product releases from fuel. Starting in 1995, the computer program SOURCE 2.0 was developed by the Canadian nuclear industry to model fission-product release from fuel during such accidents. SOURCE 2.0 has employed an early thermochemical model of irradiated uranium dioxide fuel developed at the Royal Military College of Canada. To overcome the limitations of computers of that time, the implementation of the RMC model employed lookup tables to pre-calculated equilibrium conditions. In the intervening years, the RMC model has been improved, the power of computers has increased significantly, and thermodynamic subroutine libraries have become available. This thesis is the result of extensive work based on these three factors. A prototype computer program (referred to as SC11) has been developed that uses a thermodynamic subroutine library to calculate thermodynamic equilibria using Gibbs energy minimization. The Gibbs energy minimization requires the system temperature (T) and pressure (P), and the inventory of chemical elements (n) in the system. In order to calculate the inventory of chemical elements in the fuel, the list of nuclides and nuclear isomers modelled in SC11 had to be expanded from the list used by SOURCE 2.0. A

  18. Calculations detailed progression of fire in NPP ALMARAZ through the code computational fire dynamics SIMULATOR

    International Nuclear Information System (INIS)

    Villar Sanchez, T.

    2012-01-01

    (FDS) is an advanced computational model of calculation of simulation of fire that numerically solves the Navier-Stokes equations in each cell of the mesh in each interval of time, having capacity to calculate accurately all those parameters of fire to NUREG-1805 has a limited capacity. The objective of the analysis is to compare the results obtained with the FDS with those obtained from spreadsheets of NUREG-1805 and deal widespread and realistic study of the propagation of a fire in different areas of NPP Almaraz.

  19. A computer code 'BEAM' for the ion optics calculation of the JAERI tandem accelerator system

    International Nuclear Information System (INIS)

    Kikuchi, Shiroh; Takeuchi, Suehiro

    1987-11-01

    The computer code BEAM is described, together with an outline of the formalism used for the ion optics calculation. The purpose of the code is to obtain the optimum parameters of devices, with which the ion beam is transported through the system without losses. The procedures of the calculation, especially those of searching for the parameters of quadrupole lenses, are discussed in detail. The flow of the code is illustrated as a whole and its constituent subroutines are explained individually. A few resultant beam trajectories and the parameters used to obtain them are shown as examples. (author)

  20. SKYSHIN: A computer code for calculating radiation dose over a barrier

    International Nuclear Information System (INIS)

    Atwood, C.L.; Boland, J.R.; Dickman, P.T.

    1986-11-01

    SKYSHIN is a computer code for calculating the radioactive dose (mrem), when there is a barrier between the point source and the receptor. The two geometrical configurations considered are: the source and receptor separated by a rectangular wall, and the source at the bottom of a cylindrical hole in the ground. Each gamma ray traveling over the barrier is assumed to be scattered at a single point. The dose to a receptor from such paths is numerically integrated for the total dose, with symmetry used to reduce the triple integral to a double integral. The buildup factor used along a straight line through air is based on published data, and extrapolated in a stable way to low energy levels. This buildup factor was validated by comparing calculated and experimental line-of-sight doses. The entire code shows good agreement to limited field data. The code runs on a CDC or on a Vax computer, and could be modified easily for others

  1. A computer calculation of the ternary Mo-Pd-Rh phase diagram

    International Nuclear Information System (INIS)

    Guerler, R.; Pratt, J.N.

    1993-01-01

    Thermodynamic coefficients for the phases in the binary Mo-Pd, Pd-Rh and Mo-Rh systems were derived by the assessment of the available experimental data using the binary Lukas optimization program. The resulting coefficients were first successfully utilised in reestablishing the binaries. The coefficients thus obtained in the binary computation were combined with ternary descriptions to compute ternary isothermal sections. Although no ternary interaction term was involved in the construction of the isotherms, the section calculated at 1373 K is found to be consistent with the experimentally established isothermal section at the same temperature. The location of three-phase field (bcc+hcp+fcc) and phase boundaries in both isotherms are matching reasonably well. Combining only binary coefficients of these phases, it is possible to construct reasonable isothermal sections at different temperatures. Following this conclusion, isothermal sections ranging from 1373 to 2673 K of the ternary Mo-Pd-Rh system were calculated. (orig.)

  2. OPT13B and OPTIM4 - computer codes for optical model calculations

    International Nuclear Information System (INIS)

    Pal, S.; Srivastava, D.K.; Mukhopadhyay, S.; Ganguly, N.K.

    1975-01-01

    OPT13B is a computer code in FORTRAN for optical model calculations with automatic search. A summary of different formulae used for computation is given. Numerical methods are discussed. The 'search' technique followed to obtain the set of optical model parameters which produce best fit to experimental data in a least-square sense is also discussed. Different subroutines of the program are briefly described. Input-output specifications are given in detail. A modified version of OPT13B specifications are given in detail. A modified version of OPT13B is OPTIM4. It can be used for optical model calculations where the form factors of different parts of the optical potential are known point by point. A brief description of the modifications is given. (author)

  3. THE COMPARISON BETWEEN COMPUTER SIMULATION AND PHYSICAL MODEL IN CALCULATING ILLUMINANCE LEVEL OF ATRIUM BUILDING

    Directory of Open Access Journals (Sweden)

    Sushardjanti Felasari

    2003-01-01

    Full Text Available This research examines the accuracy of computer programmes to simulate the illuminance level in atrium buildings compare to the measurement of those in physical models. The case was taken in atrium building with 4 types of roof i.e. pitched roof, barrel vault roof, monitor pitched roof (both monitor pitched roof and monitor barrel vault roof, and north light roof (both with north orientation and south orientation. The results show that both methods have agreement and disagreement. They show the same pattern of daylight distribution. In the other side, in terms of daylight factors, computer simulation tends to underestimate calculation compared to physical model measurement, while for average and minimum illumination, it tends to overestimate the calculation.

  4. Calculation and evaluation methodology of the flawed pipe and the compute program development

    International Nuclear Information System (INIS)

    Liu Chang; Qian Hao; Yao Weida; Liang Xingyun

    2013-01-01

    Background: The crack will grow gradually under alternating load for a pressurized pipe, whereas the load is less than the fatigue strength limit. Purpose: Both calculation and evaluation methodology for a flawed pipe that have been detected during in-service inspection is elaborated here base on the Elastic Plastic Fracture Mechanics (EPFM) criteria. Methods: In the compute, the depth and length interaction of a flaw has been considered and a compute program is developed per Visual C++. Results: The fluctuating load of the Reactor Coolant System transients, the initial flaw shape, the initial flaw orientation are all accounted here. Conclusions: The calculation and evaluation methodology here is an important basis for continue working or not. (authors)

  5. Fast calculation method of computer-generated hologram using a depth camera with point cloud gridding

    Science.gov (United States)

    Zhao, Yu; Shi, Chen-Xiao; Kwon, Ki-Chul; Piao, Yan-Ling; Piao, Mei-Lan; Kim, Nam

    2018-03-01

    We propose a fast calculation method for a computer-generated hologram (CGH) of real objects that uses a point cloud gridding method. The depth information of the scene is acquired using a depth camera and the point cloud model is reconstructed virtually. Because each point of the point cloud is distributed precisely to the exact coordinates of each layer, each point of the point cloud can be classified into grids according to its depth. A diffraction calculation is performed on the grids using a fast Fourier transform (FFT) to obtain a CGH. The computational complexity is reduced dramatically in comparison with conventional methods. The feasibility of the proposed method was confirmed by numerical and optical experiments.

  6. Fatigue analysis - computation of the actual strain range using elastic calculations (factor Ke)

    International Nuclear Information System (INIS)

    Roche, R.L.

    1987-01-01

    Pressure vessels are not eternal, their life is not endless, but must be long enough for profitable use. Fatigue is the most important damage limiting life time. It is due to variable loading and especially to deformation-controlled loading like thermal dilatation (thermal stress). Hence, it is of prime importance to perform an fatigue analysis in the design phase in order to be sure the pressure vessel life meet requirement of the design specification. It is also useful to perform such an analysis for assessing the remaining life. To compute the fatigue damage, knowledge of the strain range is needed. As calculation taking into account non linear behavior of the material are very expensive and not always reliable, the current practice is using elastic computation. The aim of this paper is to discuss the methods for correcting the elastically calculated strain range and to propose a sound and practical method

  7. A computer program (COSTUM) to calculate confidence intervals for in situ stress measurements. V. 1

    International Nuclear Information System (INIS)

    Dzik, E.J.; Walker, J.R.; Martin, C.D.

    1989-03-01

    The state of in situ stress is one of the parameters required both for the design and analysis of underground excavations and for the evaluation of numerical models used to simulate underground conditions. To account for the variability and uncertainty of in situ stress measurements, it is desirable to apply confidence limits to measured stresses. Several measurements of the state of stress along a borehole are often made to estimate the average state of stress at a point. Since stress is a tensor, calculating the mean stress and confidence limits using scalar techniques is inappropriate as well as incorrect. A computer program has been written to calculate and present the mean principle stresses and the confidence limits for the magnitudes and directions of the mean principle stresses. This report describes the computer program, COSTUM

  8. User's guide for vectorized code EQUIL for calculating equilibrium chemistry on Control Data STAR-100 computer

    Science.gov (United States)

    Kumar, A.; Graves, R. A., Jr.; Weilmuenster, K. J.

    1980-01-01

    A vectorized code, EQUIL, was developed for calculating the equilibrium chemistry of a reacting gas mixture on the Control Data STAR-100 computer. The code provides species mole fractions, mass fractions, and thermodynamic and transport properties of the mixture for given temperature, pressure, and elemental mass fractions. The code is set up for the electrons H, He, C, O, N system of elements. In all, 24 chemical species are included.

  9. A compilation of structural property data for computer impact calculation (5/5)

    International Nuclear Information System (INIS)

    Ikushima, Takeshi

    1988-10-01

    The paper describes structural property data for computer impact calculations of nuclear fuel shipping casks. Four kinds of material data, mild steel, stainless steel, lead and wood are compiled. These materials are main structural elements of shipping casks. Structural data such as, the coefficient of thermal expansion, the modulus of longitudinal elasticity, the modulus of transverse elasticity, the Poisson's ratio and stress and strain relationships, have been tabulated against temperature or strain rate. This volume 5 involve structural property data of wood. (author)

  10. POPCYCLE: a computer code for calculating nuclear and fossil plant levelized life-cycle power costs

    International Nuclear Information System (INIS)

    Hardie, R.W.

    1982-02-01

    POPCYCLE, a computer code designed to calculate levelized life-cycle power costs for nuclear and fossil electrical generating plants is described. Included are (1) derivations of the equations and a discussion of the methodology used by POPCYCLE, (2) a description of the input required by the code, (3) a listing of the input for a sample case, and (4) the output for a sample case

  11. A computer code for calculating neutron cross-sections from resonance parameter data

    International Nuclear Information System (INIS)

    Mill, A.J.

    1979-08-01

    A computer code, XSEC, has been written which calculates neutron cross-sections from resonance data. Although the program was originally written in order to identify neutron 'windows' in enriched nuclides, it may be used to evaluate the total neutron cross-section of any medium mass nuclide at intermediate energies. XSEC has proved very useful in identifying suitable nuclides for use as neutron filters at intermediate energies. (author)

  12. Calculation of heat-kernel coefficients and usage of computer algebra

    International Nuclear Information System (INIS)

    Bel'kov, A.A.; Lanev, A.V.; Schaale, A.

    1995-01-01

    The calculation of heat-kernel coefficients with the classical De Witt algorithm has been discussed. We present the explicit form of the coefficients up to h 5 in the general case and up to h 7 min for the minimal parts. The results are compared with the expressions in other papers. A method to optimize the usage of memory for working with large expressions on universal computer algebra systems has been proposed. 20 refs

  13. Efficient Probability of Failure Calculations for QMU using Computational Geometry LDRD 13-0144 Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, Scott A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ebeida, Mohamed Salah [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Romero, Vicente J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Swiler, Laura Painton [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rushdi, Ahmad A. [Univ. of Texas, Austin, TX (United States); Abdelkader, Ahmad [Univ. of Maryland, College Park, MD (United States)

    2015-09-01

    This SAND report summarizes our work on the Sandia National Laboratory LDRD project titled "Efficient Probability of Failure Calculations for QMU using Computational Geometry" which was project #165617 and proposal #13-0144. This report merely summarizes our work. Those interested in the technical details are encouraged to read the full published results, and contact the report authors for the status of the software and follow-on projects.

  14. Modeling of tube current modulation methods in computed tomography dose calculations for adult and pregnant patients

    International Nuclear Information System (INIS)

    Caracappa, Peter F.; Xu, X. George; Gu, Jianwei

    2011-01-01

    The comparatively high dose and increasing frequency of computed tomography (CT) examinations have spurred the development of techniques for reducing radiation dose to imaging patients. Among these is the application of tube current modulation (TCM), which can be applied either longitudinally along the body or rotationally along the body, or both. Existing computational models for calculating dose from CT examinations do not include TCM techniques. Dose calculations using Monte Carlo methods have been previously prepared for constant-current rotational exposures at various positions along the body and for the principle exposure projections for several sets of computational phantoms, including adult male and female and pregnant patients. Dose calculations from CT scans with TCM are prepared by appropriately weighting the existing dose data. Longitudinal TCM doses can be obtained by weighting the dose at the z-axis scan position by the relative tube current at that position. Rotational TCM doses are weighted using the relative organ doses from the principle projections as a function of the current at the rotational angle. Significant dose reductions of 15% to 25% to fetal tissues are found from simulations of longitudinal TCM schemes to pregnant patients of different gestational ages. Weighting factors for each organ in rotational TCM schemes applied to adult male and female patients have also been found. As the application of TCM techniques becomes more prevalent, the need for including TCM in CT dose estimates will necessarily increase. (author)

  15. DOSEFU: Computer application for dose calculation and effluent management in normal operation

    International Nuclear Information System (INIS)

    Martin Garcia, J. E.; Gonzalvo Manovel, A.; Revuelta Garcia, L.

    2002-01-01

    DOSEFU is a computer application on Windows that develops the methodology of nuclear power plant Exterior Dose Calculation Manuals (Manuals de Calculo de Dosis al Exterior-MACADE) for calculating doses in normal operation caused by radioactive liquid and gaseous effluents, for the purpose of enforcing the new Spanish Regulation on Health Protection against Ionizing Radiations, Royal Decree 783/2001 resulting from transposition of Directive 96/29/Euratom whereby the basic rules regarding health protection of workers and the population against risks resulting from ionizing radiations are established. In addition to making dose calculations, DOSEFU generates, on a magnetic support, the information regarding radioactive liquid and gaseous effluents that plants must periodically send to the CSN (ELGA format). The computer application has been developed for the specific case of Jose Cabrera NPP, which is called DOEZOR. This application can be easily implemented in any other nuclear or radioactive facility. The application is user-friendly, as the end user inputs data and executes the different modules through keys and dialogue boxes that are enabled by clicking on the mouse (see figures 2, 3, 4 and 5 ), The application runs under Windows 95. Digital Visual Fortran has been used as the development program, as this does not require additional libraries (DLLs), it can be installed in any computer without affecting other programs that are already installed. (Author)

  16. Hot particle dose calculations using the computer code VARSKIN Mod 2

    International Nuclear Information System (INIS)

    Durham, J.S.

    1991-01-01

    The only calculational model recognised by the Nuclear Regulatory Commission (NRC) for hot particle dosimetry is VARSKIN Mod 1. Because the code was designed to calculate skin dose from distributed skin contamination and not hot particles, it is assumed that the particle has no thickness and, therefore, that no self-absorption occurs within the source material. For low energy beta particles such as those emitted from 60 Co, a significant amount of self-shielding occurs in hot particles and VARSKIN Mod 1 overestimates the skin dose. In addition, the presence of protective clothing, which will reduce the calculated skin dose for both high and low energy beta emitters, is not modelled in VARSKIN Mod 1. Finally, there is no provision in VARSKIN Mod 1 to calculate the gamma contribution to skin dose from radionuclides that emit both beta and gamma radiation. The computer code VARSKIN Mod 1 has been modified to model three-dimensional sources, insertion of layers of protective clothing between the source and skin, and gamma dose from appropriate radionuclides. The new code, VARSKIN Mod 2, is described and the sensitivity of the calculated dose to source geometry, diameter, thickness, density, and protective clothing thickness are discussed. Finally, doses calculated using VARSKIN Mod 2 are compared to doses measured from hot particles found in nuclear power plants. (author)

  17. Elasto-plastic benchmark calculations. Step 1: verification of the numerical accuracy of the computer programs

    International Nuclear Information System (INIS)

    Corsi, F.

    1985-01-01

    In connection with the design of nuclear reactors components operating at elevated temperature, design criteria need a level of realism in the prediction of inelastic structural behaviour. This concept leads to the necessity of developing non linear computer programmes, and, as a consequence, to the problems of verification and qualification of these tools. Benchmark calculations allow to carry out these two actions, involving at the same time an increased level of confidence in complex phenomena analysis and in inelastic design calculations. With the financial and programmatic support of the Commission of the European Communities (CEE) a programme of elasto-plastic benchmark calculations relevant to the design of structural components for LMFBR has been undertaken by those Member States which are developing a fast reactor project. Four principal progressive aims were initially pointed out that brought to the decision to subdivide the Benchmark effort in a calculations series of four sequential steps: step 1 to 4. The present document tries to summarize Step 1 of the Benchmark exercise, to derive some conclusions on Step 1 by comparison of the results obtained with the various codes and to point out some concluding comments on the first action. It is to point out that even if the work was designed to test the capabilities of the computer codes, another aim was to increase the skill of the users concerned

  18. Algorithm of calculation of multicomponent system eutectics using electronic digital computer

    International Nuclear Information System (INIS)

    Posypajko, V.I.; Stratilatov, B.V.; Pervikova, V.I.; Volkov, V.Ya.

    1975-01-01

    A computer algorithm is proposed for determining low-temperature equilibrium regions for existing phases. The algorithm has been used in calculating nonvariant parameters (temperatures of melting of eutectics and the concentrations of their components) for a series of trinary systems, among which are Ksub(long)Cl, WO 4 , SO 4 (x 1 =K 2 WO 4 ; x 2 =K 2 SO 4 ), Ag, Cd, Pbsub(long)Cl(x 1 =CdCl 2 , x 2 =PbCl 2 ); Ksub(long)F, Cl, I (x 1 =KF, x 2 =KI). The proposed method of calculating eutectics permits the planning of the subsequent experiment in determining the parameters of the eutectics of multicomponent systems and the forecasting of chemical interaction in such systems. The algorithm can be used in calculating systems containing any number of components

  19. DCHAIN: A user-friendly computer program for radioactive decay and reaction chain calculations

    International Nuclear Information System (INIS)

    East, L.V.

    1994-05-01

    A computer program for calculating the time-dependent daughter populations in radioactive decay and nuclear reaction chains is described. Chain members can have non-zero initial populations and be produced from the preceding chain member as the result of radioactive decay, a nuclear reaction, or both. As presently implemented, chains can contain up to 15 members. Program input can be supplied interactively or read from ASCII data files. Time units for half-lives, etc. can be specified during data entry. Input values are verified and can be modified if necessary, before used in calculations. Output results can be saved in ASCII files in a format suitable for including in reports or other documents. The calculational method, described in some detail, utilizes a generalized form of the Bateman equations. The program is written in the C language in conformance with current ANSI standards and can be used on multiple hardware platforms

  20. Reactor physics simulations with coupled Monte Carlo calculation and computational fluid dynamics

    International Nuclear Information System (INIS)

    Seker, V.; Thomas, J. W.; Downar, T. J.

    2007-01-01

    The interest in high fidelity modeling of nuclear reactor cores has increased over the last few years and has become computationally more feasible because of the dramatic improvements in processor speed and the availability of low cost parallel platforms. In the research here high fidelity, multi-physics analyses was performed by solving the neutron transport equation using Monte Carlo methods and by solving the thermal-hydraulics equations using computational fluid dynamics. A computation tool based on coupling the Monte Carlo code MCNP5 and the Computational Fluid Dynamics (CFD) code STAR-CD was developed as an audit tool for lower order nuclear reactor calculations. This paper presents the methodology of the developed computer program 'McSTAR' along with the verification and validation efforts. McSTAR is written in PERL programming language and couples MCNP5 and the commercial CFD code STAR-CD. MCNP uses a continuous energy cross section library produced by the NJOY code system from the raw ENDF/B data. A major part of the work was to develop and implement methods to update the cross section library with the temperature distribution calculated by STAR-CD for every region. Three different methods were investigated and two of them are implemented in McSTAR. The user subroutines in STAR-CD are modified to read the power density data and assign them to the appropriate variables in the program and to write an output data file containing the temperature, density and indexing information to perform the mapping between MCNP and STAR-CD cells. The necessary input file manipulation, data file generation, normalization and multi-processor calculation settings are all done through the program flow in McSTAR. Initial testing of the code was performed using a single pin cell and a 3X3 PWR pin-cell problem. The preliminary results of the single pin-cell problem are compared with those obtained from a STAR-CD coupled calculation with the deterministic transport code De

  1. A special purpose computer for the calculation of the electric conductivity of a random resistor network

    International Nuclear Information System (INIS)

    Hajjar, Mansour

    1987-01-01

    The special purpose computer PERCOLA is designed for long numerical simulations on a percolation problem in Statistical Mechanics of disordered media. Our aim is to improve the actual values of the critical exponents characterizing the behaviour of random resistance networks at percolation threshold. The architecture of PERCOLA is based on an efficient iterative algorithm used to compute the electric conductivity of such networks. The calculator has the characteristics of a general purpose 64 bits floating point micro-programmable computer that can run programs for various types of problems with a peak performance of 25 Mflops. This high computing speed is a result of the pipeline architecture based on internal parallelism and separately micro-code controlled units such as: data memories, a micro-code memory, ALUs and multipliers (both WEITEK components), various data paths, a sequencer (ANALOG DEVICES component), address generators and a random number generator. Thus, the special purpose computer runs percolation problem program 10 percent faster than the supercomputer CRAY XMP. (author) [fr

  2. TRAFIC, a computer program for calculating the release of metallic fission products from an HTGR core

    International Nuclear Information System (INIS)

    Smith, P.D.

    1978-02-01

    A special purpose computer program, TRAFIC, is presented for calculating the release of metallic fission products from an HTGR core. The program is based upon Fick's law of diffusion for radioactive species. One-dimensional transient diffusion calculations are performed for the coated fuel particles and for the structural graphite web. A quasi steady-state calculation is performed for the fuel rod matrix material. The model accounts for nonlinear adsorption behavior in the fuel rod gap and on the coolant hole boundary. The TRAFIC program is designed to operate in a core survey mode; that is, it performs many repetitive calculations for a large number of spatial locations in the core. This is necessary in order to obtain an accurate volume integrated release. For this reason the program has been designed with calculational efficiency as one of its main objectives. A highly efficient numerical method is used in the solution. The method makes use of the Duhamel superposition principle to eliminate interior spatial solutions from consideration. Linear response functions relating the concentrations and mass fluxes on the boundaries of a homogeneous region are derived. Multiple regions are numerically coupled through interface conditions. Algebraic elimination is used to reduce the equations as far as possible. The problem reduces to two nonlinear equations in two unknowns, which are solved using a Newton Raphson technique

  3. Improved Patient Size Estimates for Accurate Dose Calculations in Abdomen Computed Tomography

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang-Lae [Yonsei University, Wonju (Korea, Republic of)

    2017-07-15

    The radiation dose of CT (computed tomography) is generally represented by the CTDI (CT dose index). CTDI, however, does not accurately predict the actual patient doses for different human body sizes because it relies on a cylinder-shaped head (diameter : 16 cm) and body (diameter : 32 cm) phantom. The purpose of this study was to eliminate the drawbacks of the conventional CTDI and to provide more accurate radiation dose information. Projection radiographs were obtained from water cylinder phantoms of various sizes, and the sizes of the water cylinder phantoms were calculated and verified using attenuation profiles. The effective diameter was also calculated using the attenuation of the abdominal projection radiographs of 10 patients. When the results of the attenuation-based method and the geometry-based method shown were compared with the results of the reconstructed-axial-CT-image-based method, the effective diameter of the attenuation-based method was found to be similar to the effective diameter of the reconstructed-axial-CT-image-based method, with a difference of less than 3.8%, but the geometry-based method showed a difference of less than 11.4%. This paper proposes a new method of accurately computing the radiation dose of CT based on the patient sizes. This method computes and provides the exact patient dose before the CT scan, and can therefore be effectively used for imaging and dose control.

  4. Comparison of image features calculated in different dimensions for computer-aided diagnosis of lung nodules

    Science.gov (United States)

    Xu, Ye; Lee, Michael C.; Boroczky, Lilla; Cann, Aaron D.; Borczuk, Alain C.; Kawut, Steven M.; Powell, Charles A.

    2009-02-01

    Features calculated from different dimensions of images capture quantitative information of the lung nodules through one or multiple image slices. Previously published computer-aided diagnosis (CADx) systems have used either twodimensional (2D) or three-dimensional (3D) features, though there has been little systematic analysis of the relevance of the different dimensions and of the impact of combining different dimensions. The aim of this study is to determine the importance of combining features calculated in different dimensions. We have performed CADx experiments on 125 pulmonary nodules imaged using multi-detector row CT (MDCT). The CADx system computed 192 2D, 2.5D, and 3D image features of the lesions. Leave-one-out experiments were performed using five different combinations of features from different dimensions: 2D, 3D, 2.5D, 2D+3D, and 2D+3D+2.5D. The experiments were performed ten times for each group. Accuracy, sensitivity and specificity were used to evaluate the performance. Wilcoxon signed-rank tests were applied to compare the classification results from these five different combinations of features. Our results showed that 3D image features generate the best result compared with other combinations of features. This suggests one approach to potentially reducing the dimensionality of the CADx data space and the computational complexity of the system while maintaining diagnostic accuracy.

  5. A computer program incorporating Pitzer's equations for calculation of geochemical reactions in brines

    Science.gov (United States)

    Plummer, Niel; Parkhurst, D.L.; Fleming, G.W.; Dunkle, S.A.

    1988-01-01

    The program named PHRQPITZ is a computer code capable of making geochemical calculations in brines and other electrolyte solutions to high concentrations using the Pitzer virial-coefficient approach for activity-coefficient corrections. Reaction-modeling capabilities include calculation of (1) aqueous speciation and mineral-saturation index, (2) mineral solubility, (3) mixing and titration of aqueous solutions, (4) irreversible reactions and mineral water mass transfer, and (5) reaction path. The computed results for each aqueous solution include the osmotic coefficient, water activity , mineral saturation indices, mean activity coefficients, total activity coefficients, and scale-dependent values of pH, individual-ion activities and individual-ion activity coeffients , and scale-dependent values of pH, individual-ion activities and individual-ion activity coefficients. A data base of Pitzer interaction parameters is provided at 25 C for the system: Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O, and extended to include largely untested literature data for Fe(II), Mn(II), Sr, Ba, Li, and Br with provision for calculations at temperatures other than 25C. An extensive literature review of published Pitzer interaction parameters for many inorganic salts is given. Also described is an interactive input code for PHRQPITZ called PITZINPT. (USGS)

  6. Computer code PRECIP-II for the calculation of Zr-steam reaction

    International Nuclear Information System (INIS)

    Suzuki, Motoye; Kawasaki, Satoru; Furuta, Teruo

    1978-06-01

    The computer code PRECIP-II developed, a modification of S.Malang's SIMTRAN-I, is to calculate Zr-Steam reaction under LOCA conditions. Improved are the following: 1. treatment of boundary conditions at alpha/beta phase interface during temperature decrease. 2. method of time-mesh control. 3. number of input-controllable parameters, and output format. These improvements made possible physically reasonable calculations for an increased number of temperature history patterns, including the cladding temperature excursion assumed during LOCA. Calculations were made along various transient temperature histories, with the parameters so modified as to enable fitting of numerical results of weight gain, oxide thickness and alpha phase thickness in isothermal reactions to the experimental data. Then the computed results were compared with the corresponding experimental values, which revealed that most of the differences lie within +-10%. Slow cooling effect on ductility change of Zircaloy-4 was investigated with some of the oxidized specimens by a ring compression test; the effect is only slight. (auth.)

  7. Computing Moment-Based Probability Tables for Self-Shielding Calculations in Lattice Codes

    International Nuclear Information System (INIS)

    Hebert, Alain; Coste, Mireille

    2002-01-01

    As part of the self-shielding model used in the APOLLO2 lattice code, probability tables are required to compute self-shielded cross sections for coarse energy groups (typically with 99 or 172 groups). This paper describes the replacement of the multiband tables (typically with 51 subgroups) with moment-based tables in release 2.5 of APOLLO2. An improved Ribon method is proposed to compute moment-based probability tables, allowing important savings in CPU resources while maintaining the accuracy of the self-shielding algorithm. Finally, a validation is presented where the absorption rates obtained with each of these techniques are compared with exact values obtained using a fine-group elastic slowing-down calculation in the resolved energy domain. Other results, relative to the Rowland's benchmark and to three assembly production cases, are also presented

  8. Neutron shielding point kernel integral calculation code for personal computer: PKN-pc

    International Nuclear Information System (INIS)

    Kotegawa, Hiroshi; Sakamoto, Yukio; Nakane, Yoshihiro; Tomita, Ken-ichi; Kurosawa, Naohiro.

    1994-07-01

    A personal computer version of PKN code, PKN-pc, has been developed to calculate neutron and secondary gamma-ray 1cm depth dose equivalents in water, ordinary concrete and iron for neutron source. Characteristics of PKN code are, to able to calculate dose equivalents in multi-layer three-dimensional system, which are described with two-dimensional surface, for monoenergetic neutron source from 0.01 to 14.9 MeV, 252 Cf fission and 241 Am-Be neutron source quick and easily. In addition to these features, the PKN-pc is possible to process interactive input and to get graphical system configuration and graphical results easily. (author)

  9. Computer codes for the calculation of vibrations in machines and structures

    International Nuclear Information System (INIS)

    1989-01-01

    After an introductory paper on the typical requirements to be met by vibration calculations, the first two sections of the conference papers present universal as well as specific finite-element codes tailored to solve individual problems. The calculation of dynamic processes increasingly now in addition to the finite elements applies the method of multi-component systems which takes into account rigid bodies or partial structures and linking and joining elements. This method, too, is explained referring to universal computer codes and to special versions. In mechanical engineering, rotary vibrations are a major problem, and under this topic, conference papers exclusively deal with codes that also take into account special effects such as electromechanical coupling, non-linearities in clutches, etc. (orig./HP) [de

  10. A new shielding calculation method for X-ray computed tomography regarding scattered radiation.

    Science.gov (United States)

    Watanabe, Hiroshi; Noto, Kimiya; Shohji, Tomokazu; Ogawa, Yasuyoshi; Fujibuchi, Toshioh; Yamaguchi, Ichiro; Hiraki, Hitoshi; Kida, Tetsuo; Sasanuma, Kazutoshi; Katsunuma, Yasushi; Nakano, Takurou; Horitsugi, Genki; Hosono, Makoto

    2017-06-01

    The goal of this study is to develop a more appropriate shielding calculation method for computed tomography (CT) in comparison with the Japanese conventional (JC) method and the National Council on Radiation Protection and Measurements (NCRP)-dose length product (DLP) method. Scattered dose distributions were measured in a CT room with 18 scanners (16 scanners in the case of the JC method) for one week during routine clinical use. The radiation doses were calculated for the same period using the JC and NCRP-DLP methods. The mean (NCRP-DLP-calculated dose)/(measured dose) ratios in each direction ranged from 1.7 ± 0.6 to 55 ± 24 (mean ± standard deviation). The NCRP-DLP method underestimated the dose at 3.4% in fewer shielding directions without the gantry and a subject, and the minimum (NCRP-DLP-calculated dose)/(measured dose) ratio was 0.6. The reduction factors were 0.036 ± 0.014 and 0.24 ± 0.061 for the gantry and couch directions, respectively. The (JC-calculated dose)/(measured dose) ratios ranged from 11 ± 8.7 to 404 ± 340. The air kerma scatter factor κ is expected to be twice as high as that calculated with the NCRP-DLP method and the reduction factors are expected to be 0.1 and 0.4 for the gantry and couch directions, respectively. We, therefore, propose a more appropriate method, the Japanese-DLP method, which resolves the issues of possible underestimation of the scattered radiation and overestimation of the reduction factors in the gantry and couch directions.

  11. A benchmark test of computer codes for calculating average resonance parameters

    International Nuclear Information System (INIS)

    Ribon, P.; Thompson, A.

    1983-01-01

    A set of resonance parameters has been generated from known, but secret, average values; the parameters have then been adjusted to mimic experimental data by including the effects of Doppler broadening, resolution broadening and statistical fluctuations. Average parameters calculated from the dataset by various computer codes are compared with each other, and also with the true values. The benchmark test is fully described in the report NEANDC160-U (NEA Data Bank Newsletter No. 27 July 1982); the present paper is a summary of this document. (Auth.)

  12. A compilation of structural property data for computer impact calculation (3/5)

    International Nuclear Information System (INIS)

    Ikushima, Takeshi

    1988-10-01

    The paper describes structural property data for computer impact calculations of nuclear fuel shipping casks. Four kinds of material data, mild steel, stainless steel, lead and wood are compiled. These materials are main structural elements of shipping casks. Structural data such as, the coefficient of thermal expansion, the modulus of longitudinal elasticity, the modulus of transverse elasticity, the Poisson's ratio and stress and strain relationships, have been tabulated against temperature or strain rate. This volume 3 involve structural property data of stainless steel. (author)

  13. A compilation of structural property data for computer impact calculation (2/5)

    International Nuclear Information System (INIS)

    Ikushima, Takeshi

    1988-10-01

    The paper describes structural property data for computer impact calculations of nuclear fuel shipping casks. Four kinds of material data, mild steel, stainless steel, lead and wood are compiled. These materials are main structural elements of shipping casks. Structural data such as, the coefficient of thermal expansion, the modulus of longitudinal elasticity, the modulus of transverse elasticity, the Poisson's ratio and stress and strain relationships, have been tabulated against temperature or strain rate. This volume 2 involve structural property data of mild steel. (author)

  14. Development of a computational code for calculations of shielding in dental facilities

    International Nuclear Information System (INIS)

    Lava, Deise D.; Borges, Diogo da S.; Affonso, Renato R.W.; Guimaraes, Antonio C.F.; Moreira, Maria de L.

    2014-01-01

    This paper is prepared in order to address calculations of shielding to minimize the interaction of patients with ionizing radiation and / or personnel. The work includes the use of protection report Radiation in Dental Medicine (NCRP-145 or Radiation Protection in Dentistry), which establishes calculations and standards to be adopted to ensure safety to those who may be exposed to ionizing radiation in dental facilities, according to the dose limits established by CNEN-NN-3.1 standard published in September / 2011. The methodology comprises the use of computer language for processing data provided by that report, and a commercial application used for creating residential projects and decoration. The FORTRAN language was adopted as a method for application to a real case. The result is a programming capable of returning data related to the thickness of material, such as steel, lead, wood, glass, plaster, acrylic, acrylic and leaded glass, which can be used for effective shielding against single or continuous pulse beams. Several variables are used to calculate the thickness of the shield, as: number of films used in the week, film load, use factor, occupational factor, distance between the wall and the source, transmission factor, workload, area definition, beam intensity, intraoral and panoramic exam. Before the application of the methodology is made a validation of results with examples provided by NCRP-145. The calculations redone from the examples provide answers consistent with the report

  15. Monteray Mark-I: Computer program (PC-version) for shielding calculation with Monte Carlo method

    International Nuclear Information System (INIS)

    Pudjijanto, M.S.; Akhmad, Y.R.

    1998-01-01

    A computer program for gamma ray shielding calculation using Monte Carlo method has been developed. The program is written in WATFOR77 language. The MONTERAY MARH-1 is originally developed by James Wood. The program was modified by the authors that the modified version is easily executed. Applying Monte Carlo method the program observe photon gamma transport in an infinity planar shielding with various thick. A photon gamma is observed till escape from the shielding or when its energy less than the cut off energy. Pair production process is treated as pure absorption process that annihilation photons generated in the process are neglected in the calculation. The out put data calculated by the program are total albedo, build-up factor, and photon spectra. The calculation result for build-up factor of a slab lead and water media with 6 MeV parallel beam gamma source shows that they are in agreement with published data. Hence the program is adequate as a shielding design tool for observing gamma radiation transport in various media

  16. First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, Kizashi [Institute for Nano Science Design Center, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan and TOYOTA Physical and Chemical Research Institute, Nagakute, Aichi, 480-1192 (Japan); Nishihara, Satomichi; Saito, Toru; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Yamada, Satoru; Isobe, Hiroshi; Okumura, Mitsutaka [Department of Chemistry, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043 (Japan)

    2015-01-22

    First principle calculations of effective exchange integrals (J) in the Heisenberg model for diradical species were performed by both symmetry-adapted (SA) multi-reference (MR) and broken-symmetry (BS) single reference (SR) methods. Mukherjee-type (Mk) state specific (SS) MR coupled-cluster (CC) calculations by the use of natural orbital (NO) references of ROHF, UHF, UDFT and CASSCF solutions were carried out to elucidate J values for di- and poly-radical species. Spin-unrestricted Hartree Fock (UHF) based coupled-cluster (CC) computations were also performed to these species. Comparison between UHF-NO(UNO)-MkMRCC and BS UHF-CC computational results indicated that spin-contamination of UHF-CC solutions still remains at the SD level. In order to eliminate the spin contamination, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed corrected the error to yield good agreement with MkMRCC in energy. The CC double with spin-unrestricted Brueckner's orbital (UBD) was furthermore employed for these species, showing that spin-contamination involved in UHF solutions is largely suppressed, and therefore AP scheme for UBCCD removed easily the rest of spin-contamination. We also performed spin-unrestricted pure- and hybrid-density functional theory (UDFT) calculations of diradical and polyradical species. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid (H) UDFT. HUDFT calculations followed by AP, HUDFT(AP), yielded the S-T gaps that were qualitatively in good agreement with those of MkMRCCSD, UHF-CC(AP) and UB-CC(AP). Thus a systematic comparison among MkMRCCSD, UCC(AP) UBD(AP) and UDFT(AP) was performed concerning with the first principle calculations of J values in di- and poly-radical species. It was found that BS (AP) methods reproduce MkMRCCSD results, indicating their applicability to large exchange coupled systems.

  17. Calculation of normalised organ and effective doses to adult reference computational phantoms from contemporary computed tomography scanners

    International Nuclear Information System (INIS)

    Jansen, Jan T.M.; Shrimpton, Paul C.

    2010-01-01

    The general-purpose Monte Carlo radiation transport code MCNPX has been used to simulate photon transport and energy deposition in anthropomorphic phantoms due to the x-ray exposure from the Philips iCT 256 and Siemens Definition CT scanners, together with the previously studied General Electric 9800. The MCNPX code was compiled with the Intel FORTRAN compiler and run on a Linux PC cluster. A patch has been successfully applied to reduce computing times by about 4%. The International Commission on Radiological Protection (ICRP) has recently published the Adult Male (AM) and Adult Female (AF) reference computational voxel phantoms as successors to the Medical Internal Radiation Dose (MIRD) stylised hermaphrodite mathematical phantoms that form the basis for the widely-used ImPACT CT dosimetry tool. Comparisons of normalised organ and effective doses calculated for a range of scanner operating conditions have demonstrated significant differences in results (in excess of 30%) between the voxel and mathematical phantoms as a result of variations in anatomy. These analyses illustrate the significant influence of choice of phantom on normalised organ doses and the need for standardisation to facilitate comparisons of dose. Further such dose simulations are needed in order to update the ImPACT CT Patient Dosimetry spreadsheet for contemporary CT practice. (author)

  18. Large-scale theoretical calculations in molecular science - design of a large computer system for molecular science and necessary conditions for future computers

    Energy Technology Data Exchange (ETDEWEB)

    Kashiwagi, H [Institute for Molecular Science, Okazaki, Aichi (Japan)

    1982-06-01

    A large computer system was designed and established for molecular science under the leadership of molecular scientists. Features of the computer system are an automated operation system and an open self-service system. Large-scale theoretical calculations have been performed to solve many problems in molecular science, using the computer system. Necessary conditions for future computers are discussed on the basis of this experience.

  19. Large-scale theoretical calculations in molecular science - design of a large computer system for molecular science and necessary conditions for future computers

    International Nuclear Information System (INIS)

    Kashiwagi, H.

    1982-01-01

    A large computer system was designed and established for molecular science under the leadership of molecular scientists. Features of the computer system are an automated operation system and an open self-service system. Large-scale theoretical calculations have been performed to solve many problems in molecular science, using the computer system. Necessary conditions for future computers are discussed on the basis of this experience. (orig.)

  20. Development of a locally mass flux conservative computer code for calculating 3-D viscous flow in turbomachines

    Science.gov (United States)

    Walitt, L.

    1982-01-01

    The VANS successive approximation numerical method was extended to the computation of three dimensional, viscous, transonic flows in turbomachines. A cross-sectional computer code, which conserves mass flux at each point of the cross-sectional surface of computation was developed. In the VANS numerical method, the cross-sectional computation follows a blade-to-blade calculation. Numerical calculations were made for an axial annular turbine cascade and a transonic, centrifugal impeller with splitter vanes. The subsonic turbine cascade computation was generated in blade-to-blade surface to evaluate the accuracy of the blade-to-blade mode of marching. Calculated blade pressures at the hub, mid, and tip radii of the cascade agreed with corresponding measurements. The transonic impeller computation was conducted to test the newly developed locally mass flux conservative cross-sectional computer code. Both blade-to-blade and cross sectional modes of calculation were implemented for this problem. A triplet point shock structure was computed in the inducer region of the impeller. In addition, time-averaged shroud static pressures generally agreed with measured shroud pressures. It is concluded that the blade-to-blade computation produces a useful engineering flow field in regions of subsonic relative flow; and cross-sectional computation, with a locally mass flux conservative continuity equation, is required to compute the shock waves in regions of supersonic relative flow.

  1. Use of Monte Carlo simulation software for calculating effective dose in cone beam computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Gomes B, W. O., E-mail: wilsonottobatista@gmail.com [Instituto Federal da Bahia, Rua Emidio dos Santos s/n, Barbalho 40301-015, Salvador de Bahia (Brazil)

    2016-10-15

    This study aimed to develop a geometry of irradiation applicable to the software PCXMC and the consequent calculation of effective dose in applications of the Computed Tomography Cone Beam (CBCT). We evaluated two different CBCT equipment s for dental applications: Care stream Cs 9000 3-dimensional tomograph; i-CAT and GENDEX GXCB-500. Initially characterize each protocol measuring the surface kerma input and the product kerma air-area, P{sub KA}, with solid state detectors RADCAL and PTW transmission chamber. Then we introduce the technical parameters of each preset protocols and geometric conditions in the PCXMC software to obtain the values of effective dose. The calculated effective dose is within the range of 9.0 to 15.7 μSv for 3-dimensional computer 9000 Cs; within the range 44.5 to 89 μSv for GXCB-500 equipment and in the range of 62-111 μSv for equipment Classical i-CAT. These values were compared with results obtained dosimetry using TLD implanted in anthropomorphic phantom and are considered consistent. Os effective dose results are very sensitive to the geometry of radiation (beam position in mathematical phantom). This factor translates to a factor of fragility software usage. But it is very useful to get quick answers to regarding process optimization tool conclusions protocols. We conclude that use software PCXMC Monte Carlo simulation is useful assessment protocols for CBCT tests in dental applications. (Author)

  2. Impact on Dose Coefficients Calculated with ICRP Adult Mesh-type Reference Computational Phantoms

    Energy Technology Data Exchange (ETDEWEB)

    Yeom, Yeon Soo; Nguyen, Thang Tat; Choi, Chan Soo; Lee, Han Jin; Han, Hae Gin; Han, Min Cheol; Shin, Bang Ho; Kim, Chan Hyeong [Dept. of Nuclear Engineering, Hanyang University, Seoul (Korea, Republic of)

    2017-04-15

    In 2016, the International Commission on Radiological Protection (ICRP) formulated a new Task Group (TG) (i.e., TG 103) within Committee 2. The ultimate aim of the TG 103 is to develop the mesh-type reference computational phantoms (MRCPs) that can address dosimetric limitations of the currently used voxel-type reference computational phantoms (VRCPs) due to their limited voxel resolutions. The objective of the present study is to investigate dosimetric impact of the adult MRCPs by comparing dose coefficients (DCs) calculated with the MRCPs for some external and internal exposure cases and the reference DCs in ICRP Publications 116 and 133 that were produced with the adult VRCPs. In the present study, the DCs calculated with the adult MRCPs for some exposure cases were compared with the values in ICRP Publications 116 and 133. This comparison shows that in general the MRCPs provide very similar DCs for uncharged particles, but for charged particles provide significantly different DCs due to the improvement of the MRCPs.

  3. Calculating three loop ladder and V-topologies for massive operator matrix elements by computer algebra

    International Nuclear Information System (INIS)

    Ablinger, J.; Schneider, C.; Manteuffel, A. von

    2015-09-01

    Three loop ladder and V-topology diagrams contributing to the massive operator matrix element A Qg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.

  4. Calculating three loop ladder and V-topologies for massive operator matrix elements by computer algebra

    Science.gov (United States)

    Ablinger, J.; Behring, A.; Blümlein, J.; De Freitas, A.; von Manteuffel, A.; Schneider, C.

    2016-05-01

    Three loop ladder and V-topology diagrams contributing to the massive operator matrix element AQg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.

  5. MILDOS - a computer program for calculating environmental radiation doses from uranium recovery operations. Research report

    International Nuclear Information System (INIS)

    Strenge, D.L.; Bander, T.J.

    1981-04-01

    MILDOS is a Fortran Computer Code which calculates the dose commitments received by individuals and the general population within an 80 kilometer radius of an operating uranium recovery facility. In addition air and ground concentrations are presented for individual locations, as well as for a generalized population grid. Extra-regional population doses resulting from transport of radon and export of agricultural produce are also displayed. The transport of radiological emissions from point and area sources is predicted by using a sector-averaged Gaussian plume dispersion model. Mechanisms such as radioactive decay, plume depletion by deposition, ingrowth of daughter products and resuspension of deposited radionuclides are included in the transport model. Alterations in operation throughout the facility's lifetime can be accounted for in the input stream. The pathways considered are: inhalation; external exposure from ground shine and cloud immersion; and ingestion of vegetables, meat and milk. Dose commitments are calculated primarily on the basis of the recommendations of the International Commission on Radiological Protection (ICRP). Predictive 40 CFR 190 and 10 CFR 20 compliances are also performed. This computer code is designed primarily for uranium milling facilities and should not be used for operations with different radionuclides or processes

  6. Direct Monte Carlo dose calculation using polygon-surface computational human model

    International Nuclear Information System (INIS)

    Jeong, Jong Hwi; Kim, Chan Hyeong; Yeom, Yeon Su; Cho, Sungkoo; Chung, Min Suk; Cho, Kun-Woo

    2011-01-01

    In the present study, a voxel-type computational human model was converted to a polygon-surface model, after which it was imported directly to the Geant4 code without using a voxelization process, that is, without converting back to a voxel model. The original voxel model was also imported to the Geant4 code, in order to compare the calculated dose values and the computational speed. The average polygon size of the polygon-surface model was ∼0.5 cm 2 , whereas the voxel resolution of the voxel model was 1.981 × 1.981 × 2.0854 mm 3 . The results showed a good agreement between the calculated dose values of the two models. The polygon-surface model was, however, slower than the voxel model by a factor of 6–9 for the photon energies and irradiation geometries considered in the present study, which nonetheless is considered acceptable, considering that direct use of the polygon-surface model does not require a separate voxelization process. (author)

  7. Computational Benchmark Calculations Relevant to the Neutronic Design of the Spallation Neutron Source (SNS)

    International Nuclear Information System (INIS)

    Gallmeier, F.X.; Glasgow, D.C.; Jerde, E.A.; Johnson, J.O.; Yugo, J.J.

    1999-01-01

    The Spallation Neutron Source (SNS) will provide an intense source of low-energy neutrons for experimental use. The low-energy neutrons are produced by the interaction of a high-energy (1.0 GeV) proton beam on a mercury (Hg) target and slowed down in liquid hydrogen or light water moderators. Computer codes and computational techniques are being benchmarked against relevant experimental data to validate and verify the tools being used to predict the performance of the SNS. The LAHET Code System (LCS), which includes LAHET, HTAPE ad HMCNP (a modified version of MCNP version 3b), have been applied to the analysis of experiments that were conducted in the Alternating Gradient Synchrotron (AGS) facility at Brookhaven National Laboratory (BNL). In the AGS experiments, foils of various materials were placed around a mercury-filled stainless steel cylinder, which was bombarded with protons at 1.6 GeV. Neutrons created in the mercury target, activated the foils. Activities of the relevant isotopes were accurately measured and compared with calculated predictions. Measurements at BNL were provided in part by collaborating scientists from JAERI as part of the AGS Spallation Target Experiment (ASTE) collaboration. To date, calculations have shown good agreement with measurements

  8. DIST: a computer code system for calculation of distribution ratios of solutes in the purex system

    Energy Technology Data Exchange (ETDEWEB)

    Tachimori, Shoichi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1996-05-01

    Purex is a solvent extraction process for reprocessing the spent nuclear fuel using tri n-butylphosphate (TBP). A computer code system DIST has been developed to calculate distribution ratios for the major solutes in the Purex process. The DIST system is composed of database storing experimental distribution data of U(IV), U(VI), Pu(III), Pu(IV), Pu(VI), Np(IV), Np(VI), HNO{sub 3} and HNO{sub 2}: DISTEX and of Zr(IV), Tc(VII): DISTEXFP and calculation programs to calculate distribution ratios of U(IV), U(VI), Pu(III), Pu(IV), Pu(VI), Np(IV), Np(VI), HNO{sub 3} and HNO{sub 2}(DIST1), and Zr(IV), Tc(VII)(DITS2). The DIST1 and DIST2 determine, by the best-fit procedures, the most appropriate values of many parameters put on empirical equations by using the DISTEX data which fulfill the assigned conditions and are applied to calculate distribution ratios of the respective solutes. Approximately 5,000 data were stored in the DISTEX and DISTEXFP. In the present report, the following items are described, 1) specific features of DIST1 and DIST2 codes and the examples of calculation 2) explanation of databases, DISTEX, DISTEXFP and a program DISTIN, which manages the data in the DISTEX and DISTEXFP by functions as input, search, correction and delete. and at the annex, 3) programs of DIST1, DIST2, and figure-drawing programs DIST1G and DIST2G 4) user manual for DISTIN. 5) source programs of DIST1 and DIST2. 6) the experimental data stored in the DISTEX and DISTEXFP. (author). 122 refs.

  9. Computational scheme for pH-dependent binding free energy calculation with explicit solvent.

    Science.gov (United States)

    Lee, Juyong; Miller, Benjamin T; Brooks, Bernard R

    2016-01-01

    We present a computational scheme to compute the pH-dependence of binding free energy with explicit solvent. Despite the importance of pH, the effect of pH has been generally neglected in binding free energy calculations because of a lack of accurate methods to model it. To address this limitation, we use a constant-pH methodology to obtain a true ensemble of multiple protonation states of a titratable system at a given pH and analyze the ensemble using the Bennett acceptance ratio (BAR) method. The constant pH method is based on the combination of enveloping distribution sampling (EDS) with the Hamiltonian replica exchange method (HREM), which yields an accurate semi-grand canonical ensemble of a titratable system. By considering the free energy change of constraining multiple protonation states to a single state or releasing a single protonation state to multiple states, the pH dependent binding free energy profile can be obtained. We perform benchmark simulations of a host-guest system: cucurbit[7]uril (CB[7]) and benzimidazole (BZ). BZ experiences a large pKa shift upon complex formation. The pH-dependent binding free energy profiles of the benchmark system are obtained with three different long-range interaction calculation schemes: a cutoff, the particle mesh Ewald (PME), and the isotropic periodic sum (IPS) method. Our scheme captures the pH-dependent behavior of binding free energy successfully. Absolute binding free energy values obtained with the PME and IPS methods are consistent, while cutoff method results are off by 2 kcal mol(-1) . We also discuss the characteristics of three long-range interaction calculation methods for constant-pH simulations. © 2015 The Protein Society.

  10. Quantum computing applied to calculations of molecular energies: CH2 benchmark.

    Science.gov (United States)

    Veis, Libor; Pittner, Jiří

    2010-11-21

    Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full configuration interaction (FCI) energy calculations with a polynomial scaling. This is in contrast to conventional computers where FCI scales exponentially. We have developed a code for simulation of quantum computers and implemented our version of the quantum FCI algorithm. We provide a detailed description of this algorithm and the results of the assessment of its performance on the four lowest lying electronic states of CH(2) molecule. This molecule was chosen as a benchmark, since its two lowest lying (1)A(1) states exhibit a multireference character at the equilibrium geometry. It has been shown that with a suitably chosen initial state of the quantum register, one is able to achieve the probability amplification regime of the iterative phase estimation algorithm even in this case.

  11. POPFOOD - a computer code for calculating ingestion collective doses from continuous atmospheric releases

    International Nuclear Information System (INIS)

    Hotson, J.; Stacey, A.; Nair, S.

    1980-07-01

    The basic methodology incorporated in the POPFOOD computer code is described, which may be used to calculate equilibrium collective dose rates associated with continuous atmospheric releases and arising from consumption of a broad range of food products. The standard data libraries associated with the code are also described. These include a data library, based on the 1972 agricultural census, describing the spatial distribution of production, in England, Wales and Scotland, of the following food products: milk; beef and veal; pork bacon and ham; poultrymeat; eggs; mutton and lamb; root vegetables; green vegetables; fruit; cereals. Illustrative collective dose calculations were made for the case of 1 Ci per year emissions of 131 I, tritium and 14 C from a typical rural UK site. The calculations indicate that the ingestion pathway results in a greater collective dose than that via inhalation, with the contributions from consumption of root and green vegetables, and cereals being of comparable significance to that from liquid milk consumption, in all three cases. (author)

  12. A comparison of shielding calculation methods for multi-slice computed tomography (CT) systems

    International Nuclear Information System (INIS)

    Cole, J A; Platten, D J

    2008-01-01

    Currently in the UK, shielding calculations for computed tomography (CT) systems are based on the BIR-IPEM (British Institute of Radiology and Institute of Physics in Engineering in Medicine) working group publication from 2000. Concerns have been raised internationally regarding the accuracy of the dose plots on which this method depends and the effect that new scanner technologies may have. Additionally, more recent shielding methods have been proposed by the NCRP (National Council on Radiation Protection) from the USA. Thermoluminescent detectors (TLDs) were placed in three CT scanner rooms at different positions for several weeks before being processed. Patient workload and dose data (DLP: the dose length product and mAs: the tube current-time product) were collected for this period. Individual dose data were available for more than 95% of patients scanned and the remainder were estimated. The patient workload data were used to calculate expected scatter radiation for each TLD location by both the NCRP and BIR-IPEM methods. The results were then compared to the measured scattered radiation. Calculated scattered air kerma and the minimum required lead shielding were found to be frequently overestimated compared to the measured air kerma, on average almost five times the measured scattered air kerma.

  13. DNAStat, version 2.1--a computer program for processing genetic profile databases and biostatistical calculations.

    Science.gov (United States)

    Berent, Jarosław

    2010-01-01

    This paper presents the new DNAStat version 2.1 for processing genetic profile databases and biostatistical calculations. The popularization of DNA studies employed in the judicial system has led to the necessity of developing appropriate computer programs. Such programs must, above all, address two critical problems, i.e. the broadly understood data processing and data storage, and biostatistical calculations. Moreover, in case of terrorist attacks and mass natural disasters, the ability to identify victims by searching related individuals is very important. DNAStat version 2.1 is an adequate program for such purposes. The DNAStat version 1.0 was launched in 2005. In 2006, the program was updated to 1.1 and 1.2 versions. There were, however, slight differences between those versions and the original one. The DNAStat version 2.0 was launched in 2007 and the major program improvement was an introduction of the group calculation options with the potential application to personal identification of mass disasters and terrorism victims. The last 2.1 version has the option of language selection--Polish or English, which will enhance the usage and application of the program also in other countries.

  14. User's Guide to Handlens - A Computer Program that Calculates the Chemistry of Minerals in Mixtures

    Science.gov (United States)

    Eberl, D.D.

    2008-01-01

    HandLens is a computer program, written in Excel macro language, that calculates the chemistry of minerals in mineral mixtures (for example, in rocks, soils and sediments) for related samples from inputs of quantitative mineralogy and chemistry. For best results, the related samples should contain minerals having the same chemical compositions; that is, the samples should differ only in the proportions of minerals present. This manual describes how to use the program, discusses the theory behind its operation, and presents test results of the program's accuracy. Required input for HandLens includes quantitative mineralogical data, obtained, for example, by RockJock analysis of X-ray diffraction (XRD) patterns, and quantitative chemical data, obtained, for example, by X-ray florescence (XRF) analysis of the same samples. Other quantitative data, such as sample depth, temperature, surface area, also can be entered. The minerals present in the samples are selected from a list, and the program is started. The results of the calculation include: (1) a table of linear coefficients of determination (r2's) which relate pairs of input data (for example, Si versus quartz weight percents); (2) a utility for plotting all input data, either as pairs of variables, or as sums of up to eight variables; (3) a table that presents the calculated chemical formulae for minerals in the samples; (4) a table that lists the calculated concentrations of major, minor, and trace elements in the various minerals; and (5) a table that presents chemical formulae for the minerals that have been corrected for possible systematic errors in the mineralogical and/or chemical analyses. In addition, the program contains a method for testing the assumption of constant chemistry of the minerals within a sample set.

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

    International Nuclear Information System (INIS)

    Park, Peter C.; Schreibmann, Eduard; Roper, Justin; Elder, Eric; Crocker, Ian; Fox, Tim; Zhu, X. Ronald; Dong, Lei; Dhabaan, Anees

    2015-01-01

    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

  16. Development of selective photoionization spectroscopy technology - Development of a computer program to calculate selective ionization of atoms with multistep processes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Soon; Nam, Baek Il [Myongji University, Seoul (Korea, Republic of)

    1995-08-01

    We have developed computer programs to calculate 2-and 3-step selective resonant multiphoton ionization of atoms. Autoionization resonances in the final continuum can be put into account via B-Spline basis set method. 8 refs., 5 figs. (author)

  17. Development of additional module to neutron-physic and thermal-hydraulic computer codes for coolant acoustical characteristics calculation

    Energy Technology Data Exchange (ETDEWEB)

    Proskuryakov, K.N.; Bogomazov, D.N.; Poliakov, N. [Moscow Power Engineering Institute (Technical University), Moscow (Russian Federation)

    2007-07-01

    The new special module to neutron-physic and thermal-hydraulic computer codes for coolant acoustical characteristics calculation is worked out. The Russian computer code Rainbow has been selected for joint use with a developed module. This code system provides the possibility of EFOCP (Eigen Frequencies of Oscillations of the Coolant Pressure) calculations in any coolant acoustical elements of primary circuits of NPP. EFOCP values have been calculated for transient and for stationary operating. The calculated results for nominal operating were compared with results of measured EFOCP. For example, this comparison was provided for the system: 'pressurizer + surge line' of a WWER-1000 reactor. The calculated result 0.58 Hz practically coincides with the result of measurement (0.6 Hz). The EFOCP variations in transients are also shown. The presented results are intended to be useful for NPP vibration-acoustical certification. There are no serious difficulties for using this module with other computer codes.

  18. Development of additional module to neutron-physic and thermal-hydraulic computer codes for coolant acoustical characteristics calculation

    International Nuclear Information System (INIS)

    Proskuryakov, K.N.; Bogomazov, D.N.; Poliakov, N.

    2007-01-01

    The new special module to neutron-physic and thermal-hydraulic computer codes for coolant acoustical characteristics calculation is worked out. The Russian computer code Rainbow has been selected for joint use with a developed module. This code system provides the possibility of EFOCP (Eigen Frequencies of Oscillations of the Coolant Pressure) calculations in any coolant acoustical elements of primary circuits of NPP. EFOCP values have been calculated for transient and for stationary operating. The calculated results for nominal operating were compared with results of measured EFOCP. For example, this comparison was provided for the system: 'pressurizer + surge line' of a WWER-1000 reactor. The calculated result 0.58 Hz practically coincides with the result of measurement (0.6 Hz). The EFOCP variations in transients are also shown. The presented results are intended to be useful for NPP vibration-acoustical certification. There are no serious difficulties for using this module with other computer codes

  19. Three-phase short circuit calculation method based on pre-computed surface for doubly fed induction generator

    Science.gov (United States)

    Ma, J.; Liu, Q.

    2018-02-01

    This paper presents an improved short circuit calculation method, based on pre-computed surface to determine the short circuit current of a distribution system with multiple doubly fed induction generators (DFIGs). The short circuit current, injected into power grid by DFIG, is determined by low voltage ride through (LVRT) control and protection under grid fault. However, the existing methods are difficult to calculate the short circuit current of DFIG in engineering practice due to its complexity. A short circuit calculation method, based on pre-computed surface, was proposed by developing the surface of short circuit current changing with the calculating impedance and the open circuit voltage. And the short circuit currents were derived by taking into account the rotor excitation and crowbar activation time. Finally, the pre-computed surfaces of short circuit current at different time were established, and the procedure of DFIG short circuit calculation considering its LVRT was designed. The correctness of proposed method was verified by simulation.

  20. Computer calculation of heat capacity of natural gases over a wide range of pressure and temperature

    Energy Technology Data Exchange (ETDEWEB)

    Dranchuk, P.M. (Alberta Univ., Edmonton, AB (Canada)); Abou-Kassem, J.H. (Pennsylvania State Univ., University Park, PA (USA))

    1992-04-01

    A method is presented whereby specific heats or heat capacities of natural gases, both sweet and sour, at elevated pressures and temperatures may be made suitable to modern-day machine calculation. The method involves developing a correlation for ideal isobaric heat capacity as a function of gas gravity and pseudo reduced temperature over the temperature range of 300 to 1500 K, and a mathematical equation for the isobaric heat capacity departure based on accepted thermodynamic principles applied to an equation of state that adequately describes the behavior of gases to which the Standing and Katz Z factor correlation applies. The heat capacity departure equation is applicable over the range of 0.2 {le} Pr {le} 15 and 1.05 {le} Tr {le} 3, where Pr and Tr refer to the reduced pressure and temperature respectively. The significance of the method presented lies in its utility and adaptability to computer applications. 25 refs., 2 figs., 4 tabs.

  1. Monte Carlo Calculated Effective Dose to Teenage Girls from Computed Tomography Examinations

    International Nuclear Information System (INIS)

    Caon, M.; Bibbo, G.; Pattison, J.

    2000-01-01

    Effective doses from CT to paediatric patients are not common in the literature. This article reports some effective doses to teenage girls from CT examinations. The voxel computational model ADELAIDE, representative of a 14-year-old girl, was scaled in size by ±5% to represent also 11-12-year-old and 16-year-old girls. The EGS4 Monte Carlo code was used to calculate the effective dose from chest, abdomen and whole torso CT examinations to the three version of ADELAIDE using a 120 kV spectrum. For the whole torso CT examination, in order of increasing model size, the effective doses were 9.0, 8.2 and 7.8 mSv per 100 mA.s. Data are presented that allow the estimation of effective dose from CT examinations of the torso for girls between the ages of 11 and 16. (author)

  2. A computer program for accident calculations of a standard pressurized water reactor

    International Nuclear Information System (INIS)

    Keutner, H.

    1979-01-01

    In this computer program the dynamic of a standard pressurized water reactor should be realized by both circulation loops with all important components. All important phenomena are taken into consideration, which appear for calculation of disturbances in order to state a realistic process for some minutes after a disturbance or a desired change of condition. In order to optimize the computer time simplifications are introduced in the statement of a differential-algebraic equalization system such that all important effects are taken into consideration. The model analysis starts from the heat production of the fuel rod via cladding material to the cooling medium water and considers the delay time from the core to the steam generator. Alternations of the cooling medium pressure as well as the different temperatures in the primary loop influence the pressuring system - the pressurizer - which is realized by a water and a steam zone with saturated and superheated steam respectively saturated and undercooled water with injection, heating and blow-down devices. The bilance of the steam generator to the secondary loop realizes the process engineering devices. Thereby the control regulation of the steam pressure and the reactor performance is realized. (orig.) [de

  3. Calculating external doses from contaminated soil with the computer model SOILD

    International Nuclear Information System (INIS)

    Chen, Y.; LePoire, D.; Yu, C.

    1991-01-01

    The SOILD computer model was developed for calculating the effective dose equivalent from external exposure to distributed gamma sources in soil. It is designed to assess external doses under various exposure scenarios that may be encountered in environmental restoration programs. The model's four major functional features address (a) dose versus source depth in soil, (b) shielding of clean cover soil, (c) area of contamination, and (d) nonuniform distribution of sources. The model can also adjust doses when there are variations in soil densities for both source and cover soils. It is supported by a data base of ∼500 radionuclides. A sample calculation was performed by SOILD to determine the effective dose equivalent for a uniform source distribution in soil. The soil density was assumed to be 1.6 g/cm 3 , and the source strength was assumed to be 1 pCi/cm 3 . The following radionuclides were studied: 60 C, 131 I, 137+D Cs, 238+D U, and 226+D Ra ('+D' denotes the parent nuclide and daughters)

  4. VVER 1000 SBO calculations with pressuriser relief valve stuck open with ASTEC computer code

    International Nuclear Information System (INIS)

    Atanasova, B.P.; Stefanova, A.E.; Groudev, P.P.

    2012-01-01

    Highlights: ► We modelled the ASTEC input file for accident scenario (SBO) and focused analyses on the behaviour of core degradation. ► We assumed opening and stuck-open of pressurizer relief valve during performance of SBO scenario. ► ASTEC v1.3.2 has been used as a reference code for the comparison study with the new version of ASTEC code. - Abstract: The objective of this paper is to present the results obtained from performing the calculations with ASTEC computer code for the Source Term evaluation for specific severe accident transient. The calculations have been performed with the new version of ASTEC. The ASTEC V2 code version is released by the French IRSN (Institut de Radioprotection at de surete nucleaire) and Gesellschaft für Anlagen-und Reaktorsicherheit (GRS), Germany. This investigation has been performed in the framework of the SARNET2 project (under the Euratom 7th framework program) by Institute for Nuclear Research and Nuclear Energy – Bulgarian Academy of Science (INRNE-BAS).

  5. Development of a computer code for shielding calculation in X-ray facilities

    International Nuclear Information System (INIS)

    Borges, Diogo da S.; Lava, Deise D.; Affonso, Renato R.W.; Moreira, Maria de L.; Guimaraes, Antonio C.F.

    2014-01-01

    The construction of an effective barrier against the interaction of ionizing radiation present in X-ray rooms requires consideration of many variables. The methodology used for specifying the thickness of primary and secondary shielding of an traditional X-ray room considers the following factors: factor of use, occupational factor, distance between the source and the wall, workload, Kerma in the air and distance between the patient and the receptor. With these data it was possible the development of a computer program in order to identify and use variables in functions obtained through graphics regressions offered by NCRP Report-147 (Structural Shielding Design for Medical X-Ray Imaging Facilities) for the calculation of shielding of the room walls as well as the wall of the darkroom and adjacent areas. With the built methodology, a program validation is done through comparing results with a base case provided by that report. The thickness of the obtained values comprise various materials such as steel, wood and concrete. After validation is made an application in a real case of radiographic room. His visual construction is done with the help of software used in modeling of indoor and outdoor. The construction of barriers for calculating program resulted in a user-friendly tool for planning radiographic rooms to comply with the limits established by CNEN-NN-3:01 published in September / 2011

  6. The presence of mathematics and computer anxiety in nursing students and their effects on medication dosage calculations.

    Science.gov (United States)

    Glaister, Karen

    2007-05-01

    To determine if the presence of mathematical and computer anxiety in nursing students affects learning of dosage calculations. The quasi-experimental study compared learning outcomes at differing levels of mathematical and computer anxiety when integrative and computer based learning approaches were used. Participants involved a cohort of second year nursing students (n=97). Mathematical anxiety exists in 20% (n=19) of the student nurse population, and 14% (n=13) experienced mathematical testing anxiety. Those students more anxious about mathematics and the testing of mathematics benefited from integrative learning to develop conditional knowledge (F(4,66)=2.52 at pComputer anxiety was present in 12% (n=11) of participants, with those reporting medium and high levels of computer anxiety performing less well than those with low levels (F(1,81)=3.98 at pmathematical and computer anxiety when planning an educational program to develop competency in dosage calculations.

  7. Calculation of local skin doses with ICRP adult mesh-type reference computational phantoms

    Science.gov (United States)

    Yeom, Yeon Soo; Han, Haegin; Choi, Chansoo; Nguyen, Thang Tat; Lee, Hanjin; Shin, Bangho; Kim, Chan Hyeong; Han, Min Cheol

    2018-01-01

    Recently, Task Group 103 of the International Commission on Radiological Protection (ICRP) developed new mesh-type reference computational phantoms (MRCPs) for adult males and females in order to address the limitations of the current voxel-type reference phantoms described in ICRP Publication 110 due to their limited voxel resolutions and the nature of the voxel geometry. One of the substantial advantages of the MRCPs over the ICRP-110 reference phantoms is the inclusion of a 50-μm-thick radiosensitive skin basal-cell layer; however, a methodology for calculating the local skin dose (LSD), i.e., the maximum dose to the basal layer averaged over a 1-cm2 area, has yet to be developed. In the present study, a dedicated program for the LSD calculation with the MRCPs was developed based on the mean shift algorithm and the Geant4 Monte Carlo code. The developed program was used to calculate local skin dose coefficients (LSDCs) for electrons and alpha particles, which were then compared with the values given in ICRP Publication 116 that were produced with a simple tissue-equivalent cube model. The results of the present study show that the LSDCs of the MRCPs are generally in good agreement with the ICRP-116 values for alpha particles, but for electrons, significant differences are found at energies higher than 0.15 MeV. The LSDCs of the MRCPs are greater than the ICRP-116 values by as much as 2.7 times at 10 MeV, which is due mainly to the different curvature between realistic MRCPs ( i.e., curved) and the simple cube model ( i.e., flat).

  8. The determination of surface of powders by BET method using nitrogen and krypton with computer calculation of the results

    International Nuclear Information System (INIS)

    Dembinski, W.; Zlotowski, T.

    1973-01-01

    A computer program written in FORTRAN language for calculations of final results of specific surface analysis based on BET theory has been described. Two gases - nitrogen and krypton were used. A technical description of measuring apparaturs is presented as well as theoretical basis of the calculations together with statistical analysis of the results for uranium compounds powders. (author)

  9. Electron correlation in molecules: concurrent computation Many-Body Perturbation Theory (ccMBPT) calculations using macrotasking on the NEC SX-3/44 computer

    International Nuclear Information System (INIS)

    Moncrieff, D.; Wilson, S.

    1992-06-01

    The ab initio determination of the electronic structure of molecules is a many-fermion problem involving the approximate description of the motion of the electrons in the field of fixed nuclei. It is an area of research which demands considerable computational resources but having enormous potential in fields as diverse as interstellar chemistry and drug design, catalysis and solid state chemistry, molecular biology and environmental chemistry. Electronic structure calculations almost invariably divide into two main stages: the approximate solution of an independent electron model, in which each electron moves in the average field created by the other electrons in the system, and then, the more computationally demanding determination of a series of corrections to this model, the electron correlation effects. The many-body perturbation theory expansion affords a systematic description of correlation effects, which leads directly to algorithms which are suitable for concurrent computation. We term this concurrent computation Many-Body Perturbation Theory (ccMBPT). The use of a dynamic load balancing technique on the NEC SX-3/44 computer in electron correlation calculations is investigated for the calculation of the most demanding energy component in the most accurate of contemporary ab initio studies. An application to the ground state of the nitrogen molecule is described. We also briefly discuss the extent to which the calculation of the dominant corrections to such studies can be rendered computationally tractable by exploiting both the vector processing and parallel processor capabilities of the NEC SX-3/44 computer. (author)

  10. High-speed algorithm for calculating the neutron field in a reactor when working in dialog mode with a computer

    International Nuclear Information System (INIS)

    Afanas'ev, A.M.

    1987-01-01

    The large-scale construction of atomic power stations results in a need for trainers to instruct power-station personnel. The present work considers one problem of developing training computer software, associated with the development of a high-speed algorithm for calculating the neutron field after control-rod (CR) shift by the operator. The case considered here is that in which training units are developed on the basis of small computers of SM-2 type, which fall significantly short of the BESM-6 and EC-type computers used for the design calculations, in terms of speed and memory capacity. Depending on the apparatus for solving the criticality problem, in a two-dimensional single-group approximation, the physical-calculation programs require ∼ 1 min of machine time on a BESM-6 computer, which translates to ∼ 10 min on an SM-2 machine. In practice, this time is even longer, since ultimately it is necessary to determine not the effective multiplication factor K/sub ef/, but rather the local perturbations of the emergency-control (EC) system (to reach criticality) and change in the neutron field on shifting the CR and the EC rods. This long time means that it is very problematic to use physical-calculation programs to work in dialog mode with a computer. The algorithm presented below allows the neutron field following shift of the CR and EC rods to be calculated in a few seconds on a BESM-6 computer (tens of second on an SM-2 machine. This high speed may be achieved as a result of the preliminary calculation of the influence function (IF) for each CR. The IF may be calculated at high speed on a computer. Then it is stored in the external memory (EM) and, where necessary, used as the initial information

  11. A Scientific Calculator for Exact Real Number Computation Based on LRT, GMP and FC++

    Directory of Open Access Journals (Sweden)

    J. A. Hernández

    2012-03-01

    Full Text Available Language for Redundant Test (LRT is a programming language for exact real number computation. Its lazy evaluation mechanism (also called call-by-need and its infinite list requirement, make the language appropriate to be implemented in a functional programming language such as Haskell. However, a direction translation of the operational semantics of LRT into Haskell as well as the algorithms to implement basic operations (addition subtraction, multiplication, division and trigonometric functions (sin, cosine, tangent, etc. makes the resulting scientific calculator time consuming and so inefficient. In this paper, we present an alternative implementation of the scientific calculator using FC++ and GMP. FC++ is a functional C++ library while GMP is a GNU multiple presicion library. We show that a direct translation of LRT in FC++ results in a faster scientific calculator than the one presented in Haskell.El lenguaje de verificación redundante (LRT, por sus siglas en inglés es un lenguaje de programación para el cómputo con números reales exactos. Su método de evaluación lazy (o mejor conocido como llamada por necesidad y el manejo de listas infinitas requerido, hace que el lenguaje sea apropiado para su implementación en un lenguaje funcional como Haskell. Sin embargo, la implementación directa de la semántica operacional de LRT en Haskell así como los algoritmos para funciones básicas (suma, resta, multiplicación y división y funciones trigonométricas (seno, coseno, tangente, etc hace que la calculadora científica resultante sea ineficiente. En este artículo, presentamos una implementación alternativa de la calculadora científica usando FC++ y GMP. FC++ es una librería que utiliza el paradigma Funcional en C++ mientras que GMP es una librería GNU de múltiple precisión. En el artículo mostramos que la implementación directa de LRT en FC++ resulta en una librería más eficiente que la implementada en Haskell.

  12. Theoretical background and user's manual for the computer code on groundwater flow and radionuclide transport calculation in porous rock

    International Nuclear Information System (INIS)

    Shirakawa, Toshihiko; Hatanaka, Koichiro

    2001-11-01

    In order to document a basic manual about input data, output data, execution of computer code on groundwater flow and radionuclide transport calculation in heterogeneous porous rock, we investigated the theoretical background about geostatistical computer codes and the user's manual for the computer code on groundwater flow and radionuclide transport which calculates water flow in three dimension, the path of moving radionuclide, and one dimensional radionuclide migration. In this report, based on above investigation we describe the geostatistical background about simulating heterogeneous permeability field. And we describe construction of files, input and output data, a example of calculating of the programs which simulates heterogeneous permeability field, and calculates groundwater flow and radionuclide transport. Therefore, we can document a manual by investigating the theoretical background about geostatistical computer codes and the user's manual for the computer code on groundwater flow and radionuclide transport calculation. And we can model heterogeneous porous rock and analyze groundwater flow and radionuclide transport by utilizing the information from this report. (author)

  13. Calculation of brain atrophy using computed tomography and a new atrophy measurement tool

    Science.gov (United States)

    Bin Zahid, Abdullah; Mikheev, Artem; Yang, Andrew Il; Samadani, Uzma; Rusinek, Henry

    2015-03-01

    Purpose: To determine if brain atrophy can be calculated by performing volumetric analysis on conventional computed tomography (CT) scans in spite of relatively low contrast for this modality. Materials & Method: CTs for 73 patients from the local Veteran Affairs database were selected. Exclusion criteria: AD, NPH, tumor, and alcohol abuse. Protocol: conventional clinical acquisition (Toshiba; helical, 120 kVp, X-ray tube current 300mA, slice thickness 3-5mm). Locally developed, automatic algorithm was used to segment intracranial cavity (ICC) using (a) white matter seed (b) constrained growth, limited by inner skull layer and (c) topological connectivity. ICC was further segmented into CSF and brain parenchyma using a threshold of 16 Hu. Results: Age distribution: 25-95yrs; (Mean 67+/-17.5yrs.). Significant correlation was found between age and CSF/ICC(r=0.695, pautomated software and conventional CT. Compared to MRI, CT is more widely available, cheaper, and less affected by head motion due to ~100 times shorter scan time. Work is in progress to improve the precision of the measurements, possibly leading to assessment of longitudinal changes within the patient.

  14. Novel method to calculate pulmonary compliance images in rodents from computed tomography acquired at constant pressures

    International Nuclear Information System (INIS)

    Guerrero, Thomas; Castillo, Richard; Sanders, Kevin; Price, Roger; Komaki, Ritsuko; Cody, Dianna

    2006-01-01

    Our goal was to develop a method for generating high-resolution three-dimensional pulmonary compliance images in rodents from computed tomography (CT) images acquired at a series of constant pressures in ventilated animals. One rat and one mouse were used to demonstrate this technique. A pre-clinical GE flat panel CT scanner (maximum 31 line-pairs cm -1 resolution) was utilized for image acquisition. The thorax of each animal was imaged with breath-holds at 2, 6, 10, 14 and 18 cm H 2 O pressure in triplicate. A deformable image registration algorithm was applied to each pair of CT images to map corresponding tissue elements. Pulmonary compliance was calculated on a voxel by voxel basis using adjacent pairs of CT images. Triplicate imaging was used to estimate the measurement error of this technique. The 3D pulmonary compliance images revealed regional heterogeneity of compliance. The maximum total lung compliance measured 0.080 (±0.007) ml air per cm H 2 O per ml of lung and 0.039 (±0.004) ml air per cm H 2 O per ml of lung for the rat and mouse, respectively. In this study, we have demonstrated a unique method of quantifying regional lung compliance from 4 to 16 cm H 2 O pressure with sub-millimetre spatial resolution in rodents

  15. An Improved Computational Method for the Calculation of Mixture Liquid-Vapor Critical Points

    Science.gov (United States)

    Dimitrakopoulos, Panagiotis; Jia, Wenlong; Li, Changjun

    2014-05-01

    Knowledge of critical points is important to determine the phase behavior of a mixture. This work proposes a reliable and accurate method in order to locate the liquid-vapor critical point of a given mixture. The theoretical model is developed from the rigorous definition of critical points, based on the SRK equation of state (SRK EoS) or alternatively, on the PR EoS. In order to solve the resulting system of nonlinear equations, an improved method is introduced into an existing Newton-Raphson algorithm, which can calculate all the variables simultaneously in each iteration step. The improvements mainly focus on the derivatives of the Jacobian matrix, on the convergence criteria, and on the damping coefficient. As a result, all equations and related conditions required for the computation of the scheme are illustrated in this paper. Finally, experimental data for the critical points of 44 mixtures are adopted in order to validate the method. For the SRK EoS, average absolute errors of the predicted critical-pressure and critical-temperature values are 123.82 kPa and 3.11 K, respectively, whereas the commercial software package Calsep PVTSIM's prediction errors are 131.02 kPa and 3.24 K. For the PR EoS, the two above mentioned average absolute errors are 129.32 kPa and 2.45 K, while the PVTSIM's errors are 137.24 kPa and 2.55 K, respectively.

  16. A computer-based matrix for rapid calculation of pulmonary hemodynamic parameters in congenital heart disease

    International Nuclear Information System (INIS)

    Lopes, Antonio Augusto; Miranda, Rogerio dos Anjos; Goncalves, Rilvani Cavalcante; Thomaz, Ana Maria

    2009-01-01

    In patients with congenital heart disease undergoing cardiac catheterization for hemodynamic purposes, parameter estimation by the indirect Fick method using a single predicted value of oxygen consumption has been a matter of criticism. We developed a computer-based routine for rapid estimation of replicate hemodynamic parameters using multiple predicted values of oxygen consumption. Using Microsoft Excel facilities, we constructed a matrix containing 5 models (equations) for prediction of oxygen consumption, and all additional formulas needed to obtain replicate estimates of hemodynamic parameters. By entering data from 65 patients with ventricular septal defects, aged 1 month to 8 years, it was possible to obtain multiple predictions for oxygen consumption, with clear between-age groups ( P <.001) and between-methods ( P <.001) differences. Using these predictions in the individual patient, it was possible to obtain the upper and lower limits of a likely range for any given parameter, which made estimation more realistic. The organized matrix allows for rapid obtainment of replicate parameter estimates, without error due to exhaustive calculations. (author)

  17. Mathematical model and computer programme for theoretical calculation of calibration curves of neutron soil moisture probes with highly effective counters

    International Nuclear Information System (INIS)

    Kolev, N.A.

    1981-07-01

    A mathematical model based on the three group theory for theoretical calculation by means of computer of the calibration curves of neutron soil moisture probes with highly effective counters, is described. Methods for experimental correction of the mathematical model are discussed and proposed. The computer programme described allows the calibration of neutron probes with high or low effective counters, and central or end geometry, with or without linearizing of the calibration curve. The use of two calculation variants and printing of output data gives the possibility not only for calibration, but also for other researches. The separate data inputs for soil and probe temperature allow the temperature influence analysis. The computer programme and calculation examples are given. (author)

  18. Modifications of the SEPHIS computer code for calculating the Purex solvent extraction system

    International Nuclear Information System (INIS)

    Watson, S.B.; Rainey, R.H.

    1975-12-01

    The SEPHIS computer program was developed to simulate the countercurrent solvent extraction. This report gives modifications in the program which result in improved fit to experimental data, a decrease in computer storage requirements, and a decrease in execution time. Methods for applying the computer program to practical solvent extraction problems are explained

  19. RAP-3A Computer code for thermal and hydraulic calculations in steady state conditions for fuel element clusters

    International Nuclear Information System (INIS)

    Popescu, C.; Biro, L.; Iftode, I.; Turcu, I.

    1975-10-01

    The RAP-3A computer code is designed for calculating the main steady state thermo-hydraulic parameters of multirod fuel clusters with liquid metal cooling. The programme provides a double accuracy computation of temperatures and axial enthalpy distributions of pressure losses and axial heat flux distributions in fuel clusters before boiling conditions occur. Physical and mathematical models as well as a sample problem are presented. The code is written in FORTRAN-4 language and is running on a IBM-370/135 computer

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

    Science.gov (United States)

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

    2017-07-10

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

  1. ZOCO V - a computer code for the calculation of time-dependent spatial pressure distribution in reactor containments

    International Nuclear Information System (INIS)

    Mansfeld, G.; Schally, P.

    1978-06-01

    ZOCO V is a computer code which can calculate the time- and space- dependent pressure distribution in containments of water-cooled nuclear power reactors (both full pressure containments and pressure suppression systems) following a loss-of-coolant accident, caused by the rupture of a main coolant or steam pipe

  2. ACRO - a computer program for calculating organ doses from acute or chronic inhalation and ingestion of radionuclides

    International Nuclear Information System (INIS)

    Hirayama, Akio; Kishimoto, Yoichiro; Shinohara, Kunihiko.

    1978-01-01

    The computer program ACRO has been developed to calculate organ doses from acute or chronic inhalation and ingestion of radionuclides. The ICRP Task Group Lung Model (TGLM) was used for inhalation model, and a simple one-compartment model for ingestion. This program is written in FORTRAN IV, and can be executed with storage requirements of about 260 K bytes. (auth.)

  3. TISCON, a BASIC computer program for the calculation of the biodistribution of radionuclide-labelled drugs in rats and mice

    International Nuclear Information System (INIS)

    Maddalena, D.J.

    1983-09-01

    Animal biodistribution studies on radionuclide-labelled drugs are labour-intensive and time-consuming. A method for rapidly carrying out these studies on rats and mice is presented. An interactive computer program, written in BASIC, is used to calculate parameters of interest, such as per cent injected dose (%ID),%ID per gram and target to non-target ratios

  4. Computation for LHC experiments: a worldwide computing grid; Le calcul scientifique des experiences LHC: une grille de production mondiale

    Energy Technology Data Exchange (ETDEWEB)

    Fairouz, Malek [Universite Joseph-Fourier, LPSC, CNRS-IN2P3, Grenoble I, 38 (France)

    2010-08-15

    In normal operating conditions the LHC detectors are expected to record about 10{sup 10} collisions each year. The processing of all the consequent experimental data is a real computing challenge in terms of equipment, software and organization: it requires sustaining data flows of a few 10{sup 9} octets per second and recording capacity of a few tens of 10{sup 15} octets each year. In order to meet this challenge a computing network implying the dispatch and share of tasks, has been set. The W-LCG grid (World wide LHC computing grid) is made up of 4 tiers. Tiers 0 is the computer center in CERN, it is responsible for collecting and recording the raw data from the LHC detectors and to dispatch it to the 11 tiers 1. The tiers 1 is typically a national center, it is responsible for making a copy of the raw data and for processing it in order to recover relevant data with a physical meaning and to transfer the results to the 150 tiers 2. The tiers 2 is at the level of the Institute or laboratory, it is in charge of the final analysis of the data and of the production of the simulations. Tiers 3 are at the level of the laboratories, they provide a complementary and local resource to tiers 2 in terms of data analysis. (A.C.)

  5. Meso-microstructural computational simulation of the hydrogen permeation test to calculate intergranular, grain boundary and effective diffusivities

    Energy Technology Data Exchange (ETDEWEB)

    Jothi, S., E-mail: s.jothi@swansea.ac.uk [College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP (United Kingdom); Winzer, N. [Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstraße 11, 79108 Freiburg (Germany); Croft, T.N.; Brown, S.G.R. [College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP (United Kingdom)

    2015-10-05

    Highlights: • Characterized polycrystalline nickel microstructure using EBSD analysis. • Development meso-microstructural model based on real microstructure. • Calculated effective diffusivity using experimental electrochemical permeation test. • Calculated intergranular diffusivity of hydrogen using computational FE simulation. • Validated the calculated computation simulation results with experimental results. - Abstract: Hydrogen induced intergranular embrittlement has been identified as a cause of failure of aerospace components such as combustion chambers made from electrodeposited polycrystalline nickel. Accurate computational analysis of this process requires knowledge of the differential in hydrogen transport in the intergranular and intragranular regions. The effective diffusion coefficient of hydrogen may be measured experimentally, though experimental measurement of the intergranular grain boundary diffusion coefficient of hydrogen requires significant effort. Therefore an approach to calculate the intergranular GB hydrogen diffusivity using finite element analysis was developed. The effective diffusivity of hydrogen in polycrystalline nickel was measured using electrochemical permeation tests. Data from electron backscatter diffraction measurements were used to construct microstructural representative volume elements including details of grain size and shape and volume fraction of grains and grain boundaries. A Python optimization code has been developed for the ABAQUS environment to calculate the unknown grain boundary diffusivity.

  6. Nuclear steam power plant cycle performance calculations supported by power plant monitoring and results computer

    International Nuclear Information System (INIS)

    Bettes, R.S.

    1984-01-01

    The paper discusses the real time performance calculations for the turbine cycle and reactor and steam generators of a nuclear power plant. Program accepts plant measurements and calculates performance and efficiency of each part of the cycle: reactor and steam generators, turbines, feedwater heaters, condenser, circulating water system, feed pump turbines, cooling towers. Presently, the calculations involve: 500 inputs, 2400 separate calculations, 500 steam properties subroutine calls, 200 support function accesses, 1500 output valves. The program operates in a real time system at regular intervals

  7. Calculation of the density shift and broadening of the transition lines in pionic helium: Computational problems

    Energy Technology Data Exchange (ETDEWEB)

    Bakalov, Dimitar, E-mail: dbakalov@inrne.bas.bg [Bulgarian Academy of Sciences, INRNE (Bulgaria)

    2015-08-15

    The potential energy surface and the computational codes, developed for the evaluation of the density shift and broadening of the spectral lines of laser-induced transitions from metastable states of antiprotonic helium, fail to produce convergent results in the case of pionic helium. We briefly analyze the encountered computational problems and outline possible solutions of the problems.

  8. VLab: A Science Gateway for Distributed First Principles Calculations in Heterogeneous High Performance Computing Systems

    Science.gov (United States)

    da Silveira, Pedro Rodrigo Castro

    2014-01-01

    This thesis describes the development and deployment of a cyberinfrastructure for distributed high-throughput computations of materials properties at high pressures and/or temperatures--the Virtual Laboratory for Earth and Planetary Materials--VLab. VLab was developed to leverage the aggregated computational power of grid systems to solve…

  9. Structure problems in the analog computation; Problemes de structure dans le calcul analogique

    Energy Technology Data Exchange (ETDEWEB)

    Braffort, P L [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1957-07-01

    The recent mathematical development showed the importance of elementary structures (algebraic, topological, etc.) in abeyance under the great domains of classical analysis. Such structures in analog computation are put in evidence and possible development of applied mathematics are discussed. It also studied the topological structures of the standard representation of analog schemes such as additional triangles, integrators, phase inverters and functions generators. The analog method gives only the function of the variable: time, as results of its computations. But the course of computation, for systems including reactive circuits, introduces order structures which are called 'chronological'. Finally, it showed that the approximation methods of ordinary numerical and digital computation present the same structure as these analog computation. The structure analysis permits fruitful comparisons between the several domains of applied mathematics and suggests new important domains of application for analog method. (M.P.)

  10. Structure problems in the analog computation; Problemes de structure dans le calcul analogique

    Energy Technology Data Exchange (ETDEWEB)

    Braffort, P.L. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1957-07-01

    The recent mathematical development showed the importance of elementary structures (algebraic, topological, etc.) in abeyance under the great domains of classical analysis. Such structures in analog computation are put in evidence and possible development of applied mathematics are discussed. It also studied the topological structures of the standard representation of analog schemes such as additional triangles, integrators, phase inverters and functions generators. The analog method gives only the function of the variable: time, as results of its computations. But the course of computation, for systems including reactive circuits, introduces order structures which are called 'chronological'. Finally, it showed that the approximation methods of ordinary numerical and digital computation present the same structure as these analog computation. The structure analysis permits fruitful comparisons between the several domains of applied mathematics and suggests new important domains of application for analog method. (M.P.)

  11. Preparation of functions of computer code GENGTC and improvement for two-dimensional heat transfer calculations for irradiation capsules

    International Nuclear Information System (INIS)

    Nomura, Yasushi; Someya, Hiroyuki; Ito, Haruhiko.

    1992-11-01

    Capsules for irradiation tests in the JMTR (Japan Materials Testing Reactor), consist of irradiation specimens surrounded by a cladding tube, holders, an inner tube and a container tube (from 30mm to 65mm in diameter). And the annular gaps between these structural materials in the capsule are filled with liquids or gases. Cooling of the capsule is done by reactor primary coolant flowing down outside the capsule. Most of the heat generated by fission in fuel specimens and gamma absorption in structural materials is directed radially to the capsule container outer surface. In thermal performance calculations for capsule design, an one(r)-dimensional heat transfer computer code entitled (Generalyzed Gap Temperature Calculation), GENGTC, originally developed in Oak Ridge National Laboratory, U.S.A., has been frequently used. In designing a capsule, are needed many cases of parametric calculations with respect to changes materials and gap sizes. And in some cases, two(r,z)-dimensional heat transfer calculations are needed for irradiation test capsules with short length fuel rods. Recently the authors improved the original one-dimensional code GENGTC, (1) to simplify preparation of input data, (2) to perform automatic calculations for parametric survey based on design temperatures, ect. Moreover, the computer code has been improved to perform r-z two-dimensional heat transfer calculation. This report describes contents of the preparation of the one-dimensional code GENGTC and the improvement for the two-dimensional code GENGTC-2, together with their code manuals. (author)

  12. Some computer realizations of the REDUCE-3 calculations for exclusive processes

    International Nuclear Information System (INIS)

    Darbaidze, Ya.Z.; Merebashvili, Z.V.; Rostovtsev, V.A.

    1990-01-01

    The REDUCE-3 algorithm for the calculation of the squared gauge invariant set of tree diagrams is given in the α 3 order of the perturbation theory. The necessity of using such program packages as factorizator, 'COLOR'-factor and so on is shown. The correctness of calculation for the infrared radiation corrections as compared with manual calculations is discussed. An example of applying the programs is given for the matrix and noncommutative algebras when the well-known supersymmetric commutative relation is proved. (author)

  13. A computationally efficient software application for calculating vibration from underground railways

    International Nuclear Information System (INIS)

    Hussein, M F M; Hunt, H E M

    2009-01-01

    The PiP model is a software application with a user-friendly interface for calculating vibration from underground railways. This paper reports about the software with a focus on its latest version and the plans for future developments. The software calculates the Power Spectral Density of vibration due to a moving train on floating-slab track with track irregularity described by typical values of spectra for tracks with good, average and bad conditions. The latest version accounts for a tunnel embedded in a half space by employing a toolbox developed at K.U. Leuven which calculates Green's functions for a multi-layered half-space.

  14. Calculation of the number of branches of multi-valued decision trees in computer aided importance rank of parameters

    Directory of Open Access Journals (Sweden)

    Tiszbierek Agnieszka

    2017-01-01

    Full Text Available An elaborated digital computer programme supporting the time-consuming process of selecting the importance rank of construction and operation parameters by means of stating optimum sets is based on the Quine – McCluskey algorithm of minimizing individual partial multi-valued logic functions. The example with real time data, calculated by means of the programme, showed that among the obtained optimum sets there were such which had a different number of real branches after being presented on the multi-valued logic decision tree. That is why an idea of elaborating another functionality of the programme – a module calculating the number of branches of real, multi-valued logic decision trees presenting optimum sets chosen by the programme was pursued. This paper presents the idea and the method for developing a module calculating the number of branches, real for each of optimum sets indicated by the programme, as well as to the calculation process.

  15. Radcalc: A computer program to calculate the radiolytic production of hydrogen gas from radioactive wastes in packages

    International Nuclear Information System (INIS)

    Green, J.R.; Schwarz, R.A.; Hillesland, K.E.; Roetman, V.E.; Field, J.G.

    1995-11-01

    Radcalc for Windows' is a menu-driven Microsoft2 Windows-compatible computer code that calculates the radiolytic production of hydrogen gas in high- and low-level radioactive waste. In addition, the code also determines US Department of Transportation (DOT) transportation classifications, calculates the activities of parent and daughter isotopes for a specified period of time, calculates decay heat, and calculates pressure buildup from the production of hydrogen gas in a given package geometry. Radcalc for Windows was developed by Packaging Engineering, Transportation and Packaging, Westinghouse Hanford Company, Richland, Washington, for the US Department of Energy (DOE). It is available from Packaging Engineering and is issued with a user's manual and a technical manual. The code has been verified and validated

  16. Statistical model calculations with a double-humped fission barrier GIVAB computer code

    International Nuclear Information System (INIS)

    Delagrange, H.; Gilat, J.

    1979-01-01

    Neutron and gamma emission probabilities and fission probabilities are computed, taking into account the special feature of the actinide fission barriers with two maxima. Spectra and cross sections are directly deduced from these probabilities. Populations of both wells are followed step by step. For each initial E and J, decay rates are computed and normalized in order to obtain the de-excitation probabilities imposed by the two-humped fission barrier

  17. LASER-R a computer code for reactor cell and burnup calculations in neutron transport theory

    International Nuclear Information System (INIS)

    Cristian, I.; Cirstoiu, B.; Dumitrache, I.; Cepraga, D.

    1976-04-01

    The LASER-R code is an IBM 370/135 version of the Westinghouse code, LASER, based on the THERMOS and MUFT codes developped by Poncelet. It can be used to perform thermal reactor cell calculations and burnup calculations. The cell exhibits 3-4 concentric areas: fuel, cladding, moderator and scattering ring. Besides directions for use, a short description of the physical model, numerical methods and output is presented

  18. Design a computational program to calculate the composition variations of nuclear materials in the reactor operations

    International Nuclear Information System (INIS)

    Mohmmadnia, Meysam; Pazirandeh, Ali; Sedighi, Mostafa; Bahabadi, Mohammad Hassan Jalili; Tayefi, Shima

    2013-01-01

    Highlights: ► The atomic densities of light and heavy materials are calculated. ► The solution is obtained using Runge–Kutta–Fehlberg method. ► The material depletion is calculated for constant flux and constant power condition. - Abstract: The present work investigates an appropriate way to calculate the variations of nuclides composition in the reactor core during operations. Specific Software has been designed for this purpose using C#. The mathematical approach is based on the solution of Bateman differential equations using a Runge–Kutta–Fehlberg method. Material depletion at constant flux and constant power can be calculated with this software. The inputs include reactor power, time step, initial and final times, order of Taylor Series to calculate time dependent flux, time unit, core material composition at initial condition (consists of light and heavy radioactive materials), acceptable error criterion, decay constants library, cross sections database and calculation type (constant flux or constant power). The atomic density of light and heavy fission products during reactor operation is obtained with high accuracy as the program outputs. The results from this method compared with analytical solution show good agreements

  19. Effectiveness of a computer based medication calculation education and testing programme for nurses.

    Science.gov (United States)

    Sherriff, Karen; Burston, Sarah; Wallis, Marianne

    2012-01-01

    The aim of the study was to evaluate the effect of an on-line, medication calculation education and testing programme. The outcome measures were medication calculation proficiency and self efficacy. This quasi-experimental study involved the administration of questionnaires before and after nurses completed annual medication calculation testing. The study was conducted in two hospitals in south-east Queensland, Australia, which provide a variety of clinical services including obstetrics, paediatrics, ambulatory, mental health, acute and critical care and community services. Participants were registered nurses (RNs) and enrolled nurses with a medication endorsement (EN(Med)) working as clinicians (n=107). Data pertaining to success rate, number of test attempts, self-efficacy, medication calculation error rates and nurses' satisfaction with the programme were collected. Medication calculation scores at first test attempt showed improvement following one year of access to the programme. Two of the self-efficacy subscales improved over time and nurses reported satisfaction with the online programme. Results of this study may facilitate the continuation and expansion of medication calculation and administration education to improve nursing knowledge, inform practise and directly improve patient safety. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

  20. SIMPLE-2: a computer code for calculation of steady-state thermal behavior of rod bundles with flow sweeping

    International Nuclear Information System (INIS)

    Jones, O.C. Jr.; Yao, S.; Henry, R.E.

    1976-01-01

    A computer code has been developed for use in making single-phase thermal hydraulic calculations in rod bundle arrays with flow sweeping due to spiral wraps as the predominant crossflow mixing effect. This code, called SIMPLE-2, makes the assumption that the axial pressure gradient is identical for each subchannel over a given axial increment, and is unique in that no empirical coefficients must be specified for its use. Results from this code have been favorably compared with experimental data for both uniform and highly nonuniform power distributions. Typical calculations for various bundle sizes applicable to the LMBR program are included

  1. Ultrafast layer based computer-generated hologram calculation with sparse template holographic fringe pattern for 3-D object.

    Science.gov (United States)

    Kim, Hak Gu; Man Ro, Yong

    2017-11-27

    In this paper, we propose a new ultrafast layer based CGH calculation that exploits the sparsity of hologram fringe pattern in 3-D object layer. Specifically, we devise a sparse template holographic fringe pattern. The holographic fringe pattern on a depth layer can be rapidly calculated by adding the sparse template holographic fringe patterns at each object point position. Since the size of sparse template holographic fringe pattern is much smaller than that of the CGH plane, the computational load can be significantly reduced. Experimental results show that the proposed method achieves 10-20 msec for 1024x1024 pixels providing visually plausible results.

  2. Computer codes in nuclear safety, radiation transport and dosimetry; Les codes de calcul en radioprotection, radiophysique et dosimetrie

    Energy Technology Data Exchange (ETDEWEB)

    Bordy, J M; Kodeli, I; Menard, St; Bouchet, J L; Renard, F; Martin, E; Blazy, L; Voros, S; Bochud, F; Laedermann, J P; Beaugelin, K; Makovicka, L; Quiot, A; Vermeersch, F; Roche, H; Perrin, M C; Laye, F; Bardies, M; Struelens, L; Vanhavere, F; Gschwind, R; Fernandez, F; Quesne, B; Fritsch, P; Lamart, St; Crovisier, Ph; Leservot, A; Antoni, R; Huet, Ch; Thiam, Ch; Donadille, L; Monfort, M; Diop, Ch; Ricard, M

    2006-07-01

    The purpose of this conference was to describe the present state of computer codes dedicated to radiation transport or radiation source assessment or dosimetry. The presentations have been parted into 2 sessions: 1) methodology and 2) uses in industrial or medical or research domains. It appears that 2 different calculation strategies are prevailing, both are based on preliminary Monte-Carlo calculations with data storage. First, quick simulations made from a database of particle histories built though a previous Monte-Carlo simulation and secondly, a neuronal approach involving a learning platform generated through a previous Monte-Carlo simulation. This document gathers the slides of the presentations.

  3. Emergency Doses (ED) - Revision 3: A calculator code for environmental dose computations

    International Nuclear Information System (INIS)

    Rittmann, P.D.

    1990-12-01

    The calculator program ED (Emergency Doses) was developed from several HP-41CV calculator programs documented in the report Seven Health Physics Calculator Programs for the HP-41CV, RHO-HS-ST-5P (Rittman 1984). The program was developed to enable estimates of offsite impacts more rapidly and reliably than was possible with the software available for emergency response at that time. The ED - Revision 3, documented in this report, revises the inhalation dose model to match that of ICRP 30, and adds the simple estimates for air concentration downwind from a chemical release. In addition, the method for calculating the Pasquill dispersion parameters was revised to match the GENII code within the limitations of a hand-held calculator (e.g., plume rise and building wake effects are not included). The summary report generator for printed output, which had been present in the code from the original version, was eliminated in Revision 3 to make room for the dispersion model, the chemical release portion, and the methods of looping back to an input menu until there is no further no change. This program runs on the Hewlett-Packard programmable calculators known as the HP-41CV and the HP-41CX. The documentation for ED - Revision 3 includes a guide for users, sample problems, detailed verification tests and results, model descriptions, code description (with program listing), and independent peer review. This software is intended to be used by individuals with some training in the use of air transport models. There are some user inputs that require intelligent application of the model to the actual conditions of the accident. The results calculated using ED - Revision 3 are only correct to the extent allowed by the mathematical models. 9 refs., 36 tabs

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

    Science.gov (United States)

    2015-01-01

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

  5. Acute Calculous Cholecystitis Missed on Computed Tomography and Ultrasound but Diagnosed with Fluorodeoxyglucose-Positron Emission Tomography/Computed Tomography

    Directory of Open Access Journals (Sweden)

    Carina Mari Aparici

    2016-01-01

    Full Text Available We present a case of a 69-year-old patient who underwent ascending aortic aneurysm repair with aortic valve replacement. On postsurgical day 12, he developed leukocytosis and low-grade fevers. The chest computed tomography (CT showed a periaortic hematoma which represents a postsurgical change from aortic aneurysm repair, and a small pericardial effusion. The abdominal ultrasound showed cholelithiasis without any sign of cholecystitis. Finally, a fluorodeoxyglucose (FDG-positron emission tomography (PET/CT examination was ordered to find the cause of fever of unknown origin, and it showed increased FDG uptake in the gallbladder wall, with no uptake in the lumen. FDG-PET/CT can diagnose acute cholecystitis in patients with nonspecific clinical symptoms and laboratory results.

  6. TBCI and URMEL - New computer codes for wake field and cavity mode calculations

    International Nuclear Information System (INIS)

    Weiland, T.

    1983-01-01

    Wake force computation is important for any study of instabilities in high current accelerators and storage rings. These forces are generated by intense bunches of charged particles passing cylindrically symmetric structures on or off axis. The adequate method for computing such forces is the time domain approach. The computer Code TBCI computes for relativistic as well as for nonrelativistic bunches of arbitrary shape longitudinal and transverse wake forces up to the octupole component. TBCI is not limited to cavity-like objects and thus applicable to bellows, beam pipes with varying cross sections and any other nonresonant structures. For the accelerating cavities one also needs to know the resonant modes and frequencies for the study of instabilities and mode couplers. The complementary code named URMEL computes these fields for any azimuthal dependence of the fields in ascending order. The mathematical procedure being used is very safe and does not miss modes. Both codes together represent a unique tool for accelerator design and are easy to use

  7. Calculating additional shielding requirements in diagnostics X-ray departments by computer

    International Nuclear Information System (INIS)

    Rahimi, A.

    2004-01-01

    This report provides an extension of an existing method for the calculation of the barrier thickness required to reduce the three types of radiation exposure emitted from the source, the primary, secondary and leakage radiation, to a specified weekly design limit (MPD). Since each of these three types of radiation are of different beam quality, having different shielding requirements, NCRP 49 has provided means to calculate the necessary protective barrier thickness for each type of radiation individually. Additionally, barrier requirements specified using the techniques stated at NCRP 49, show enormous variations among users. Part of the variations is due to different assumptions made regarding the use of the examined room and the characteristics of adjoining space. Many of the differences result from the difficulty of accurately relating information from the calculations to graphs and tables involved in the calculation process specified by this report. Moreover, the latest technological developments such as mammography are not addressed and attenuation data for three-phase generators, that are most widely used today, is not provided. The design of shielding barriers in diagnostic X-ray departments generally follow the ALARA principle. That means that, in practice, the exposure levels are kept 'as low as reasonably achievable', taking into account economical and technical factors. Additionally, the calculation of barrier requirements includes many uncertainties (e.g. the workload, the actual kVp used etc.). (author)

  8. Monte Carlo calculations on a parallel computer using MORSE-C.G

    International Nuclear Information System (INIS)

    Wood, J.

    1995-01-01

    The general purpose particle transport Monte Carlo code, MORSE-C.G., is implemented on a parallel computing transputer-based system having MIMD architecture. Example problems are solved which are representative of the 3-principal types of problem that can be solved by the original serial code, namely, fixed source, eigenvalue (k-eff) and time-dependent. The results from the parallelized version of the code are compared in tables with the serial code run on a mainframe serial computer, and with an independent, deterministic transport code. The performance of the parallel computer as the number of processors is varied is shown graphically. For the parallel strategy used, the loss of efficiency as the number of processors is increased, is investigated. (author)

  9. The use of symbolic computation in radiative, energy, and neutron transport calculations

    Science.gov (United States)

    Frankel, J. I.

    This investigation uses symbolic computation in developing analytical methods and general computational strategies for solving both linear and nonlinear, regular and singular, integral and integro-differential equations which appear in radiative and combined mode energy transport. This technical report summarizes the research conducted during the first nine months of the present investigation. The use of Chebyshev polynomials augmented with symbolic computation has clearly been demonstrated in problems involving radiative (or neutron) transport, and mixed-mode energy transport. Theoretical issues related to convergence, errors, and accuracy have also been pursued. Three manuscripts have resulted from the funded research. These manuscripts have been submitted to archival journals. At the present time, an investigation involving a conductive and radiative medium is underway. The mathematical formulation leads to a system of nonlinear, weakly-singular integral equations involving the unknown temperature and various Legendre moments of the radiative intensity in a participating medium. Some preliminary results are presented illustrating the direction of the proposed research.

  10. Convergence acceleration of two-phase flow calculations in FLICA-4. A thermal-hydraulic 3D computer code

    International Nuclear Information System (INIS)

    Toumi, I.

    1995-01-01

    Time requirements for 3D two-phase flow steady state calculations are generally long. Usually, numerical methods for steady state problems are iterative methods consisting in time-like methods that are marched to a steady state. Based on the eigenvalue spectrum of the iteration matrix for various flow configuration, two convergence acceleration techniques are discussed; over-relaxation and eigenvalue annihilation. This methods were applied to accelerate the convergence of three dimensional steady state two-phase flow calculations within the FLICA-4 computer code. These acceleration methods are easy to implement and no extra computer memory is required. Successful results are presented for various test problems and a saving of 30 to 50 % in CPU time have been achieved. (author). 10 refs., 4 figs

  11. The calculation of the absolute dose rate of GB651 by computer code

    Energy Technology Data Exchange (ETDEWEB)

    Mashina, G [Tajoura Nuclear Research Center P o Box 30878 Tripoli (Libyan Arab Jamahiriya)

    1997-12-31

    Since 1986 a Co-60 irradiation unit GB 651 has been available Tajura research center, the original activity of 50 K Ci was distributed to 9-v shaped pencils. The first radiation field evaluation was made by Fricke solution. Because of the variety of geometric positions of the radiation sources the resulting radiation fields could be determined precisely with great difficulty. Therefore. A computer code was developed to describe these radiation fields. According to the experiences obtained so far, by taking into consideration the specific correction factor, the coincidence of the computational model and experimental data was attained. 5 figs., 1 tab.

  12. 3-D heat transfer computer calculations of the performance of the IAEA's air-bath calorimeters

    International Nuclear Information System (INIS)

    Elias, E.; Kaizermann, S.; Perry, R.B.; Fiarman, S.

    1989-01-01

    A three dimensional (3-D) heat transfer computer code was developed to study and optimize the design parameters and to better understand the performance characteristics of the IAEA's air-bath calorimeters. The computer model accounts for heat conduction and radiation in the complex materials of the calorimeter and for heat convection and radiation at its outer surface. The temperature servo controller is modelled as an integral part of the heat balance equations in the system. The model predictions will be validated against test data using the ANL bulk calorimeter. 11 refs., 6 figs

  13. Computational complexity in multidimensional neutron transport theory calculations. Progress report, September 1, 1975--August 31, 1976

    International Nuclear Information System (INIS)

    Bareiss, E.H.

    1976-05-01

    The objectives of the work are to develop mathematically and computationally founded for the design of highly efficient and reliable multidimensional neutron transport codes to solve a variety of neutron migration and radiation problems, and to analyze existing and new methods for performance. As new analytical insights are gained, new numerical methods are developed and tested. Significant results obtained include implementation of the integer-preserving Gaussian elimination method (two-step method) in a CDC 6400 computer code, modes analysis for one-dimensional transport solutions, and a new method for solving the 1-T transport equation. Some of the work dealt with the interface and corner problem in diffusion theory

  14. Lateral hydraulic forces calculation on PWR fuel assemblies with computational fluid dynamics codes

    International Nuclear Information System (INIS)

    Corpa Masa, R.; Jimenez Varas, G.; Moreno Garcia, B.

    2016-01-01

    To be able to simulate the behavior of nuclear fuel under operating conditions, it is required to include all the representative loads, including the lateral hydraulic forces which were not included traditionally because of the difficulty of calculating them in a reliable way. Thanks to the advance in CFD codes, now it is possible to assess them. This study calculates the local lateral hydraulic forces, caused by the contraction and expansion of the flow due to the bow of the surrounding fuel assemblies, on of fuel assembly under typical operating conditions from a three loop Westinghouse PWR reactor. (Author)

  15. DWPI: a computer program to calculate the inelastic scattering of pions from nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Eisenstein, R A; Miller, G A [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA). Dept. of Physics

    1976-02-01

    Angular distributions for the inelastic scattering of pions are generated using the distorted wave impulse approximation (DWIA). The cross section for a given transition is calculated by summing a partial wave expansion. The T-matrix elements are calculated using distorted pion waves from the program PIRK, and therefore include elastic scattering to all orders. The excitation is treated in first order only. Several optical potentials and nuclear densities are available in the program. The transition form factor may be uncoupled from the ground-state density. Coulomb excitation, which interferes coherently with the strong interaction, is a program option.

  16. Radiation doses from radiation sources of neutrons and photons by different computer calculation

    International Nuclear Information System (INIS)

    Siciliano, F.; Lippolis, G.; Bruno, S.G.

    1995-12-01

    In the present paper the calculation technique aspects of dose rate from neutron and photon radiation sources are covered with reference both to the basic theoretical modeling of the MERCURE-4, XSDRNPM-S and MCNP-3A codes and from practical point of view performing safety analyses of irradiation risk of two transportation casks. The input data set of these calculations -regarding the CEN 10/200 HLW container and dry PWR spent fuel assemblies shipping cask- is frequently commented as for as connecting points of input data and understanding theoric background are concerned

  17. GAPCON-THERMAL-2: a computer program for calculating the thermal behavior of an oxide fuel rod

    International Nuclear Information System (INIS)

    Beyer, C.E.; Hann, C.R.; Lanning, D.D.; Panisko, F.E.; Parchen, L.J.

    1975-11-01

    A description is presented of the computer code GAPCON THERMAL-2, a light water reactor (LWR) fuel thermal performance prediction code. GAPCON-THERMAL-2, is intended to be used as a calculational tool for reactor fuel steady-state thermal performance and to provide input for accident analyses. Some models used in the code provide best estimate as well as conservative predictions. Each of the individual models in the code is based on the best available data

  18. Accuracy of computer-calculated and manual QRS duration assessments: Clinical implications to select candidates for cardiac resynchronization therapy.

    Science.gov (United States)

    De Pooter, Jan; El Haddad, Milad; Stroobandt, Roland; De Buyzere, Marc; Timmermans, Frank

    2017-06-01

    QRS duration (QRSD) plays a key role in the field of cardiac resynchronization therapy (CRT). Computer-calculated QRSD assessments are widely used, however inter-manufacturer differences have not been investigated in CRT candidates. QRSD was assessed in 377 digitally stored ECGs: 139 narrow QRS, 140 LBBB and 98 ventricular paced ECGs. Manual QRSD was measured as global QRSD, using digital calipers, by two independent observers. Computer-calculated QRSD was assessed by Marquette 12SL (GE Healthcare, Waukesha, WI, USA) and SEMA3 (Schiller, Baar, Switzerland). Inter-manufacturer differences of computer-calculated QRSD assessments vary among different QRS morphologies: narrow QRSD: 4 [2-9] ms (median [IQR]), p=0.010; LBBB QRSD: 7 [2-10] ms, p=0.003 and paced QRSD: 13 [6-18] ms, p=0.007. Interobserver differences of manual QRSD assessments measured: narrow QRSD: 4 [2-6] ms, p=non-significant; LBBB QRSD: 6 [3-12] ms, p=0.006; paced QRSD: 8 [4-18] ms, p=0.001. In LBBB ECGs, intraclass correlation coefficients (ICCs) were comparable for inter-manufacturer and interobserver agreement (ICC 0.830 versus 0.837). When assessing paced QRSD, manual measurements showed higher ICC compared to inter-manufacturer agreement (ICC 0.902 versus 0.776). Using guideline cutoffs of 130ms, up to 15% of the LBBB ECGs would be misclassified as <130ms or ≥130ms by at least one method. Using a cutoff of 150ms, this number increases to 33% of ECGs being misclassified. However, by combining LBBB-morphology and QRSD, the number of misclassified ECGs can be decreased by half. Inter-manufacturer differences in computer-calculated QRSD assessments are significant and may compromise adequate selection of individual CRT candidates when using QRSD as sole parameter. Paced QRSD should preferentially be assessed by manual QRSD measurements. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Development of 1-year-old computational phantom and calculation of organ doses during CT scans using Monte Carlo simulation

    International Nuclear Information System (INIS)

    Pan, Yuxi; Qiu, Rui; Ge, Chaoyong; Xie, Wenzhang; Li, Junli; Gao, Linfeng; Zheng, Junzheng

    2014-01-01

    With the rapidly growing number of CT examinations, the consequential radiation risk has aroused more and more attention. The average dose in each organ during CT scans can only be obtained by using Monte Carlo simulation with computational phantoms. Since children tend to have higher radiation sensitivity than adults, the radiation dose of pediatric CT examinations requires special attention and needs to be assessed accurately. So far, studies on organ doses from CT exposures for pediatric patients are still limited. In this work, a 1-year-old computational phantom was constructed. The body contour was obtained from the CT images of a 1-year-old physical phantom and the internal organs were deformed from an existing Chinese reference adult phantom. To ensure the organ locations in the 1-year-old computational phantom were consistent with those of the physical phantom, the organ locations in 1-year-old computational phantom were manually adjusted one by one, and the organ masses were adjusted to the corresponding Chinese reference values. Moreover, a CT scanner model was developed using the Monte Carlo technique and the 1-year-old computational phantom was applied to estimate organ doses derived from simulated CT exposures. As a result, a database including doses to 36 organs and tissues from 47 single axial scans was built. It has been verified by calculation that doses of axial scans are close to those of helical scans; therefore, this database could be applied to helical scans as well. Organ doses were calculated using the database and compared with those obtained from the measurements made in the physical phantom for helical scans. The differences between simulation and measurement were less than 25% for all organs. The result shows that the 1-year-old phantom developed in this work can be used to calculate organ doses in CT exposures, and the dose database provides a method for the estimation of 1-year-old patient doses in a variety of CT examinations. (paper)

  20. STATIC{sub T}EMP: a useful computer code for calculating static formation temperatures in geothermal wells

    Energy Technology Data Exchange (ETDEWEB)

    Santoyo, E. [Universidad Nacional Autonoma de Mexico, Centro de Investigacion en Energia, Temixco (Mexico); Garcia, A.; Santoyo, S. [Unidad Geotermia, Inst. de Investigaciones Electricas, Temixco (Mexico); Espinosa, G. [Universidad Autonoma Metropolitana, Co. Vicentina (Mexico); Hernandez, I. [ITESM, Centro de Sistemas de Manufactura, Monterrey (Mexico)

    2000-07-01

    The development and application of the computer code STATIC{sub T}EMP, a useful tool for calculating static formation temperatures from actual bottomhole temperature data logged in geothermal wells is described. STATIC{sub T}EMP is based on five analytical methods which are the most frequently used in the geothermal industry. Conductive and convective heat flow models (radial, spherical/radial and cylindrical/radial) were selected. The computer code is a useful tool that can be reliably used in situ to determine static formation temperatures before or during the completion stages of geothermal wells (drilling and cementing). Shut-in time and bottomhole temperature measurements logged during well completion activities are required as input data. Output results can include up to seven computations of the static formation temperature by each wellbore temperature data set analysed. STATIC{sub T}EMP was written in Fortran-77 Microsoft language for MS-DOS environment using structured programming techniques. It runs on most IBM compatible personal computers. The source code and its computational architecture as well as the input and output files are described in detail. Validation and application examples on the use of this computer code with wellbore temperature data (obtained from specialised literature) and with actual bottomhole temperature data (taken from completion operations of some geothermal wells) are also presented. (Author)

  1. Quantum computing applied to calculations of molecular energies: CH2 benchmark

    Czech Academy of Sciences Publication Activity Database

    Veis, L.; Pittner, Jiří

    2010-01-01

    Roč. 133, č. 19 (2010), s. 194106 ISSN 0021-9606 R&D Projects: GA ČR GA203/08/0626 Institutional research plan: CEZ:AV0Z40400503 Keywords : computation * algorithm * systems Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.920, year: 2010

  2. Computational complexity in multidimensional neutron transport theory calculations. Progress report, September 1, 1974--August 31, 1975

    International Nuclear Information System (INIS)

    Bareiss, E.H.

    1975-01-01

    The objectives of the research remain the same as outlined in the original proposal. They are in short as follows: Develop mathematically and computationally founded criteria for the design of highly efficient and reliable multi-dimensional neutron transport codes to solve a variety of neutron migration and radiation problems and analyze existing and new methods for performance. (U.S.)

  3. INTERTRAN 2 - A computer code for calculating the risk from transportation of radioactive materials

    International Nuclear Information System (INIS)

    Ericsson, A.M.; Jaernry, C.

    1993-01-01

    In this paper a description of IAEA Coordinated Research Program (CRP) dealing with the updating of the computer code INTERTRAN is given. The paper includes a summary of the work performed by several member states within the CRP as well as gives a description of the final product that will be presented to the IAEA. (J.P.N.)

  4. The use of symbolic computation in radiative, energy, and neutron transport calculations. Final report

    International Nuclear Information System (INIS)

    Frankel, J.I.

    1997-01-01

    This investigation used sysmbolic manipulation in developing analytical methods and general computational strategies for solving both linear and nonlinear, regular and singular integral and integro-differential equations which appear in radiative and mixed-mode energy transport. Contained in this report are seven papers which present the technical results as individual modules

  5. Numerical calculation of the conductivity of percolation clusters and the use of special purpose computers

    International Nuclear Information System (INIS)

    Herrmann, H.J.

    1989-01-01

    Electrical conductivity diffusion or phonons, have an anomalous behaviour on percolation clusters at the percolation threshold due to the fractality of these clusters. The results that have been found numerically for this anomalous behaviour are reviewed. A special purpose computer built for this purpose is described and the evaluation of the data from this machine is discussed

  6. LWR-WIMS, a computer code for light water reactor lattice calculations

    International Nuclear Information System (INIS)

    Halsall, M.J.

    1982-06-01

    LMR-WIMS is a comprehensive scheme of computation for studying the reactor physics aspects and burnup behaviour of typical lattices of light water reactors. This report describes the physics methods that have been incorporated in the code, and the modifications that have been made since the code was issued in 1972. (U.K.)

  7. Computer code ANISN multiplying media and shielding calculation II. Code description (input/output)

    International Nuclear Information System (INIS)

    Maiorino, J.R.

    1990-01-01

    The user manual of the ANISN computer code describing input and output subroutines is presented. ANISN code was developed to solve one-dimensional transport equation for neutron or gamma rays in slab, sphere or cylinder geometry with general anisotropic scattering. The solution technique is the discrete ordinate method. (M.C.K.)

  8. Computational complexity in multidimensional neutron transport theory calculations. Progress report, September 1976--November 30, 1977

    International Nuclear Information System (INIS)

    Bareiss, E.H.

    1977-08-01

    The objectives of this research are to develop mathematically and computationally founded criteria for the design of highly efficient and reliable multidimensional neutron transport codes to solve a variety of neutron migration and radiation problems, and to analyze existing and new methods for performance

  9. Annual progress report FY 1977. [Computer calculations of light water reactor dynamics and safety

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, K.F.; Henry, A.F.

    1977-07-01

    Progress is summarized in a project directed toward development of numerical methods suitable for the computer solution of problems in reactor dynamics and safety. Specific areas of research include methods of integration of the time-dependent diffusion equations by finite difference and finite element methods; representation of reactor properties by various homogenization procedures; application of synthesis methods; and development of response matrix techniques.

  10. Computational Chemistry Laboratory: Calculating the Energy Content of Food Applied to a Real-Life Problem

    Science.gov (United States)

    Barbiric, Dora; Tribe, Lorena; Soriano, Rosario

    2015-01-01

    In this laboratory, students calculated the nutritional value of common foods to assess the energy content needed to answer an everyday life application; for example, how many kilometers can an average person run with the energy provided by 100 g (3.5 oz) of beef? The optimized geometries and the formation enthalpies of the nutritional components…

  11. Using Computer-Generated Random Numbers to Calculate the Lifetime of a Comet.

    Science.gov (United States)

    Danesh, Iraj

    1991-01-01

    An educational technique to calculate the lifetime of a comet using software-generated random numbers is introduced to undergraduate physiques and astronomy students. Discussed are the generation and eligibility of the required random numbers, background literature related to the problem, and the solution to the problem using random numbers.…

  12. Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Paidarová, Ivana; Čársky, Petr

    2016-01-01

    In this paper we present calculations of the static polarizability and its derivatives for the adamantane molecule carried out at the density functional theory level using the B3LYP exchange correlation functional and Sadlej’s polarized valence triple zeta basis set. It is shown...

  13. A computer program for unilateral renal clearance calculation by a modified Oberhausen method

    International Nuclear Information System (INIS)

    Brueggemann, G.

    1980-01-01

    A FORTAN program is presented which, on the basis of data obtained with NUKLEOPAN M, calculates the glomerular filtration rate with sup(99m)Tc-DTPA, the unilateral effective renal plasma flow with 131 I-hippuran, and the parameters for describing the isotope rephrogram (ING) with 131 I-hippuran. The results are calculated fully automatically upon entry of the data, and the results are processed and printed out. The theoretical fundamentals of ING and whole-body clearance calculation are presented as well as the methods available for unilateral clearance calculation, and the FORTAN program is described in detail. The standard values of the method are documented, as well as a comparative gamma camera study of 48 patients in order to determine the accuracy of unilateral imaging with the NUKLEOPAN M instrument, a comparison of unilateral clearances by the Oberhausen and Taplin methods, and a comparison between 7/17' plasma clearance and whole-body clearance. Problems and findings of the method are discussed. (orig./MG) [de

  14. Computer program for the sensitivity calculation of a CR-39 detector in a diffusion chamber for radon measurements

    Energy Technology Data Exchange (ETDEWEB)

    Nikezic, D., E-mail: nikezic@kg.ac.rs; Stajic, J. M. [Faculty of Science, University of Kragujevac, R. Domanovica 12, Kragujevac 34000 (Serbia); Yu, K. N. [Department of Physics and Materials Science, City University of Hong Kong, 83 Tat Chee Avenue (Hong Kong)

    2014-02-15

    Computer software for calculation of the sensitivity of a CR-39 detector closed in a diffusion chamber to radon is described in this work. The software consists of two programs, both written in the standard Fortran 90 programming language. The physical background and a numerical example are given. Presented software is intended for numerous researches in radon measurement community. Previously published computer programs TRACK-TEST.F90 and TRACK-VISION.F90 [D. Nikezic and K. N. Yu, Comput. Phys. Commun. 174, 160 (2006); D. Nikezic and K. N. Yu, Comput. Phys. Commun. 178, 591 (2008)] are used here as subroutines to calculate the track parameters and to determine whether the track is visible or not, based on the incident angle, impact energy, etching conditions, gray level, and visibility criterion. The results obtained by the software, using five different V functions, were compared with the experimental data found in the literature. Application of two functions in this software reproduced experimental data very well, while other three gave lower sensitivity than experiment.

  15. ICECON: a computer program used to calculate containment back pressure for LOCA analysis (including ice condenser plants)

    International Nuclear Information System (INIS)

    1976-07-01

    The ICECON computer code provides a method for conservatively calculating the long term back pressure transient in the containment resulting from a hypothetical Loss-of-Coolant Accident (LOCA) for PWR plants including ice condenser containment systems. The ICECON computer code was developed from the CONTEMPT/LT-022 code. A brief discussion of the salient features of a typical ice condenser containment is presented. Details of the ice condenser models are explained. The corrections and improvements made to CONTEMPT/LT-022 are included. The organization of the code, including the calculational procedure, is outlined. The user's manual, to be used in conjunction with the CONTEMPT/LT-022 user's manual, a sample problem, a time-step study (solution convergence) and a comparison of ICECON results with the results of the NSSS vendor are presented. In general, containment pressure calculated with the ICECON code agree with those calculated by the NSSS vendor using the same mass and energy release rates to the containment

  16. Three-dimensional coupled Monte Carlo-discrete ordinates computational scheme for shielding calculations of large and complex nuclear facilities

    International Nuclear Information System (INIS)

    Chen, Y.; Fischer, U.

    2005-01-01

    Shielding calculations of advanced nuclear facilities such as accelerator based neutron sources or fusion devices of the tokamak type are complicated due to their complex geometries and their large dimensions, including bulk shields of several meters thickness. While the complexity of the geometry in the shielding calculation can be hardly handled by the discrete ordinates method, the deep penetration of radiation through bulk shields is a severe challenge for the Monte Carlo particle transport technique. This work proposes a dedicated computational scheme for coupled Monte Carlo-Discrete Ordinates transport calculations to handle this kind of shielding problems. The Monte Carlo technique is used to simulate the particle generation and transport in the target region with both complex geometry and reaction physics, and the discrete ordinates method is used to treat the deep penetration problem in the bulk shield. The coupling scheme has been implemented in a program system by loosely integrating the Monte Carlo transport code MCNP, the three-dimensional discrete ordinates code TORT and a newly developed coupling interface program for mapping process. Test calculations were performed with comparison to MCNP solutions. Satisfactory agreements were obtained between these two approaches. The program system has been chosen to treat the complicated shielding problem of the accelerator-based IFMIF neutron source. The successful application demonstrates that coupling scheme with the program system is a useful computational tool for the shielding analysis of complex and large nuclear facilities. (authors)

  17. Computer calculation of neutron cross sections with Hauser-Feshbach code STAPRE incorporating the hybrid pre-compound emission model

    International Nuclear Information System (INIS)

    Ivascu, M.

    1983-10-01

    Computer codes incorporating advanced nuclear models (optical, statistical and pre-equilibrium decay nuclear reaction models) were used to calculate neutron cross sections needed for fusion reactor technology. The elastic and inelastic scattering (n,2n), (n,p), (n,n'p), (n,d) and (n,γ) cross sections for stable molybdenum isotopes Mosup(92,94,95,96,97,98,100) and incident neutron energy from about 100 keV or a threshold to 20 MeV were calculated using the consistent set of input parameters. The hydrogen production cross section which determined the radiation damage in structural materials of fusion reactors can be simply deduced from the presented results. The more elaborated microscopic models of nuclear level density are required for high accuracy calculations

  18. PUDEQ: a computer code for calculating dose equivalent from internal deposition of plutonium at Hanford

    International Nuclear Information System (INIS)

    Houston, J.R.; Heid, K.R.

    1975-10-01

    Presented here are the procedures and mathematical models used in developing PUDEQ, a computer program for computing the dose equivalent to body organs from intake of Pu. The program was designed specifically to use the data recorded on the Hanford Internal Exposure (HIE) System magnetic tape as input. Insofar as was possible, the recommendations of the Advisory Committee on Dose from Plutonium and other Transuranics was followed. Some deviations were made where errors, omissions, or inconsistencies were found, after consultation with members of the Committee. In the current version of the program only Pu and its immediate important daughters are considered. The program could, however, be expanded to include other transuranic nuclides. At present, only a few depositions of transuranic nuclides other than plutonium are recorded out of about 450 individuals involved in a total of over 700 plutonium intakes

  19. Implementation of SSYST-1 on the GRS computer and first verification calculations

    International Nuclear Information System (INIS)

    Schubert, J.D.; Ullrich, R.

    1981-09-01

    The program system SSYST-1, being developed in Karlsruhe, has been implemented on the AMDAHL-computer together with special modulus for the items eccentric stress and probabilistic analysis. First computations for the REBEKA-3 experiment and other test examples, done to verify the new implementation, showed satisfactory results, especially a good correspondence with measurements for the instant of bursting, the bursting temperature and the difference in temperature on the periphere. Initial difficulties arised from using the model for circumvariable stress and temperature analyses. The reason was, that this modulus is meant for the program SSYST-2, thus its use in SSYST-1 led to interface problems which, however, are resolved now. (orig.) [de

  20. Reduced computational cost in the calculation of worst case response time for real time systems

    OpenAIRE

    Urriza, José M.; Schorb, Lucas; Orozco, Javier D.; Cayssials, Ricardo

    2009-01-01

    Modern Real Time Operating Systems require reducing computational costs even though the microprocessors become more powerful each day. It is usual that Real Time Operating Systems for embedded systems have advance features to administrate the resources of the applications that they support. In order to guarantee either the schedulability of the system or the schedulability of a new task in a dynamic Real Time System, it is necessary to know the Worst Case Response Time of the Real Time tasks ...

  1. Fatigue analysis - computation of the actual strain range using elastic calculation

    International Nuclear Information System (INIS)

    Roche, R.L.

    1987-04-01

    The design codes used in nuclear industry do not contain all the same rules allowing to deduce from an elastic calculation the actual deformation variation. Knowledge of strain range is needed for fatigue analysis. Elastic calculation does not give the actual range. The aim of this paper is discussing ways to correct elastic results and proposing a practical method to do it. Two corrections are required. The first one is related to elastic follow up effect when shakedown is not obtained (correction on secondary stress). The second one is related to stress raisers effect (correction on peak stress). It is shown that NEUBER's rule is not convenient for the second correction when shakedown is not fulfilled [fr

  2. Involving High School Students in Computational Physics University Research: Theory Calculations of Toluene Adsorbed on Graphene.

    Science.gov (United States)

    Ericsson, Jonas; Husmark, Teodor; Mathiesen, Christoffer; Sepahvand, Benjamin; Borck, Øyvind; Gunnarsson, Linda; Lydmark, Pär; Schröder, Elsebeth

    2016-01-01

    To increase public awareness of theoretical materials physics, a small group of high school students is invited to participate actively in a current research projects at Chalmers University of Technology. The Chalmers research group explores methods for filtrating hazardous and otherwise unwanted molecules from drinking water, for example by adsorption in active carbon filters. In this project, the students use graphene as an idealized model for active carbon, and estimate the energy of adsorption of the methylbenzene toluene on graphene with the help of the atomic-scale calculational method density functional theory. In this process the students develop an insight into applied quantum physics, a topic usually not taught at this educational level, and gain some experience with a couple of state-of-the-art calculational tools in materials research.

  3. SALLY - a computer programme for the calculation of the dynamical behaviour of a cooling channel

    International Nuclear Information System (INIS)

    Reiche, C.; Ziegenbein, D.

    1978-12-01

    This report describes the mathematical-physical fundamentals and provides a user's manual as well as some test examples for the programme SALLY. SALLY is suitable for the calculation of the dynamical behaviour of a cooling channel under following conditions: point-kinetics, heat transfer in the fuel in radial direction only, reactivity feedback, simple model of the first cooling cycle. Reactivity, coolant inlet temperature or coolant velocity can be disturbed. (author)

  4. Multi-user software of radio therapeutical calculation using a computational network

    International Nuclear Information System (INIS)

    Allaucca P, J.J.; Picon C, C.; Zaharia B, M.

    1998-01-01

    It has been designed a hardware and software system for a radiotherapy Department. It runs under an Operative system platform Novell Network sharing the existing resources and of the server, it is centralized, multi-user and of greater safety. It resolves a variety of problems and calculation necessities, patient steps and administration, it is very fast and versatile, it contains a set of menus and options which may be selected with mouse, direction arrows or abbreviated keys. (Author)

  5. Software abstractions and computational issues in parallel structure adaptive mesh methods for electronic structure calculations

    Energy Technology Data Exchange (ETDEWEB)

    Kohn, S.; Weare, J.; Ong, E.; Baden, S.

    1997-05-01

    We have applied structured adaptive mesh refinement techniques to the solution of the LDA equations for electronic structure calculations. Local spatial refinement concentrates memory resources and numerical effort where it is most needed, near the atomic centers and in regions of rapidly varying charge density. The structured grid representation enables us to employ efficient iterative solver techniques such as conjugate gradient with FAC multigrid preconditioning. We have parallelized our solver using an object- oriented adaptive mesh refinement framework.

  6. Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations

    Czech Academy of Sciences Publication Activity Database

    Sauer, S. P. A.; Paidarová, Ivana; Čársky, Petr; Čurík, Roman

    2016-01-01

    Roč. 70, č. 5 (2016), č. článku 105. ISSN 1434-6060 R&D Projects: GA MŠk LD14088 Grant - others:COST(XE) CM1301 Institutional support: RVO:61388955 Keywords : DENSITY-FUNCTIONAL- THEORY * COUPLED-CLUSTER CALCULATIONS * FREQUENCY-DEPENDENT POLARIZABILITIES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.288, year: 2016

  7. NERON-Computing system for PHWR reactor cells and heterogeneous parameter calculations

    International Nuclear Information System (INIS)

    Cristian, I.; Cirstoiu, B.; Slavnicu, S.D.

    1976-04-01

    A system of codes for PHWR type reactors is presented. The system includes the cell code NERO and a code PARETE for monopolar and dipolar heterogeneous calculations. A general theory of dipolar flux is necessary for a more accurate evaluation of void coefficient and diffusion moderator coefficient is given. The determination of monopolar and dipolar heterogeneous parameters is very useful for heterogeneous methods developped especially for HWR reactors during the last years. (author)

  8. Comparison of computer code calculations with experimental results obtained in the NSPP series of experiments

    International Nuclear Information System (INIS)

    Tobias, M.L.

    1987-01-01

    Experiments were done on several aerosols in air atmospheres at varying temperatures and humidity conditions of interest in forming a data base for testing aerosol behavior models used as part of the process of evaluating the ''source term'' in light water reactor accidents. This paper deals with the problems of predicting the observed experimental data for suspended aerosol concentration with aerosol calculational codes. Comparisons of measured versus predicted data are provided

  9. Efigie: a computer program for calculating end-isotope accumulation by neutron irradiation and radioactive decay

    International Nuclear Information System (INIS)

    Ropero, M.

    1978-01-01

    Efigie is a program written in Fortran V which can calculate the concentration of radionuclides produced by neutron irradiation of a target made of either a single isotope or several isotopes. The program includes optimization criteria that can be applied when the goal is the production of a single nuclide. The effect of a cooling time before chemical processing of the target is also accounted for.(author) [es

  10. Calculation of lung-heart ratios for single-photon emission computed tomography

    International Nuclear Information System (INIS)

    Soares, E.J.; King, M.A.; Glick, S.J.; Villegas, B.J.

    1996-01-01

    The authors investigate the effectiveness of simple iterative reconstruction techniques in calculating lung-heart activity ratios (LHRs). The LHR has been shown to be an effective indicator of the severity of coronary artery disease in cardiac SPECT. A study was conducted with a mathematical cardiac torso phantom that modelled uptake of 201 Tl in the heart and lung regions. The projection data included only the effects of nonuniform photon attenuation. The data were first reconstructed with zeroth-order Chang and a variant of the Bellini method, both of which utilize information from the nonuniform attenuation map. This nonuniform (NU) Bellini method compensates exactly for attenuation in the heart region, but is incorrect for other regions in the medium. These reconstructions were then used as the initial estimates in the iterative Chang, variable step-size (VSS) Chang, and Morozumi methods,m for one and five iterations. The average heart count (AHC) and average lung count (ALC) were calculated using region-of-interest (ROI) templates derived from the true activity map. The population mean LHR was tabulated as the ratio of the ALC to AHC. Using the same reconstruction procedure, the authors also calculated the sample mean LHR and standard deviation from 21 noisy 3D reconstructions

  11. Comparison between different computational schemes for variational calculations in nuclear structure

    International Nuclear Information System (INIS)

    Puddu, G.

    2009-01-01

    We compare several iteration methods for angular-momentum- and parity-projected Hartree-Fock calculations. We used the Anderson update, the modified Broyden method, newly introduced in nuclear-structure calculations, and variants of the Broyden-Fletcher-Goldhaber-Shanno methods (BFGS). We performed ground-state calculations for 18 C and 6 Li using the two-body Hamiltonian obtained from the CDBonn-2000 potential via the Lee-Suzuki renormalization method. We found that BFGS methods are superior to both the Anderson update and to the modified Broyden method. In the case of 6 Li we found that the Anderson update and modified Broyden method do not converge to the angular-momentum- and parity-projected Hartree-Fock minimum. The reason is traced back to the lack of a mechanism that guarantees a decrease of the energy from one iteration to the next and to the fact that these methods guarantee a stationary solution rather than a minimum of the energy. (orig.)

  12. ParShield: A computer program for calculating attenuation parameters of the gamma rays and the fast neutrons

    International Nuclear Information System (INIS)

    Elmahroug, Y.; Tellili, B.; Souga, C.; Manai, K.

    2015-01-01

    Highlights: • Description of the theoretical method used by the ParShield program. • Description of the ParShield program. • Test and validation the ParShield program. - Abstract: This study aims to present a new computer program called ParShield which determines the neutron and gamma-ray shielding parameters. This program can calculate the total mass attenuation coefficients (μ t ), the effective atomic numbers (Z eff ) and the effective electron densities (N eff ) for gamma rays and it can also calculate the effective removal cross-sections (Σ R ) for fast neutrons for mixtures and compounds. The results obtained for the gamma rays by using ParShield were compared with the results calculated by the WinXcom program and the measured results. The obtained values of (Σ R ) were tested by comparing them with the measured results,the manually calculated results and with the results obtained by using MERCSFN program and an excellent agreement was found between them. The ParShield program can be used as a fast and effective tool to choose and compare the shielding materials, especially for the determination of (Z eff ) and (N eff ), there is no other programs in the literature which can calculate

  13. Computer model for calculating gamma-ray pulse-height spectra for logging applications

    International Nuclear Information System (INIS)

    Evans, M.L.

    1981-01-01

    A generalized computer model has been devised to simulate the emission, transport, and detection of natural gamma radiation from various logging environments. The model yields high-resolution gamma-ray pulse-height spectra that can be used to correct both gross gamma and spectral gamma-ray logs. The technique can help provide corrections to airborne and surface radiometric survey logs for the effects of varying altitude, formation composition, and overburden. Applied to borehole logging, the model can yield estimates of the effects of varying borehole fluid and casing attenuations, as well as varying formation porosity and saturation

  14. A computer database system to calculate staff radiation doses and maintain records

    International Nuclear Information System (INIS)

    Clewer, P.

    1985-01-01

    A database has been produced to record the personal dose records of all employees monitored for radiation exposure in the Wessex Health Region. Currently there are more than 2000 personnel in 115 departments but the capacity of the database allows for expansion. The computer is interfaced to a densitometer for film badge reading. The hardware used by the database, which is based on a popular microcomputer, is described, as are the various programs that make up the software. The advantages over the manual card index system that it replaces are discussed. (author)

  15. DITTY - a computer program for calculating population dose integrated over ten thousand years

    International Nuclear Information System (INIS)

    Napier, B.A.; Peloquin, R.A.; Strenge, D.L.

    1986-03-01

    The computer program DITTY (Dose Integrated Over Ten Thousand Years) was developed to determine the collective dose from long term nuclear waste disposal sites resulting from the ground-water pathways. DITTY estimates the time integral of collective dose over a ten-thousand-year period for time-variant radionuclide releases to surface waters, wells, or the atmosphere. This document includes the following information on DITTY: a description of the mathematical models, program designs, data file requirements, input preparation, output interpretations, sample problems, and program-generated diagnostic messages

  16. RAMM: a system of computer programs for radionuclide pathway analysis calculations

    International Nuclear Information System (INIS)

    Lyon, R.B.

    1976-09-01

    A generalized system of computer programs, designated RAMM (Radioactive Materials Management) system, has been developed to assist in the analysis of the movement of radionuclides through the environment to man. RAMM incorporates the GASP IV continuous/discrete simulation system. A nodal approach is used whereby the system to be analyzed is split up into parts small enough that the distribution of nuclides within the node may be taken to be homogeneous. Pathways are defined between nodes, and appropriate transfer coefficients are input or generated. Output includes the time dependent contents of the nodes and dose rates, integrated doses and dose commitments of selected nodes. (author)

  17. Development of DUST: A computer code that calculates release rates from a LLW disposal unit

    International Nuclear Information System (INIS)

    Sullivan, T.M.

    1992-01-01

    Performance assessment of a Low-Level Waste (LLW) disposal facility begins with an estimation of the rate at which radionuclides migrate out of the facility (i.e., the disposal unit source term). The major physical processes that influence the source term are water flow, container degradation, waste form leaching, and radionuclide transport. A computer code, DUST (Disposal Unit Source Term) has been developed which incorporates these processes in a unified manner. The DUST code improves upon existing codes as it has the capability to model multiple container failure times, multiple waste form release properties, and radionuclide specific transport properties. Verification studies performed on the code are discussed

  18. DIFMIG - A computer program for calculation of diffusive migration through multi-barrier systems

    International Nuclear Information System (INIS)

    Bo, P.; Carlsen, L.

    1981-11-01

    The FORTRAN IV program DIFMIG calculates one-dimensionally (i.e. column) the diffusive migration of single substances through arbitrary multibarrier systems. Time dependent changes in concentration other than dispersion/diffusion (e.g. slow dissolution of a compound from a repository, radioactive decay, and/or build up of daughter products), and possible time dependent variations in the effective dispersion into account. The diffusion equation is solved by a finite difference implicite method, the resulting trigonal matrix equation being solved by standard methods. (author)

  19. FLOWNET: A Computer Program for Calculating Secondary Flow Conditions in a Network of Turbomachinery

    Science.gov (United States)

    Rose, J. R.

    1978-01-01

    The program requires the network parameters, the flow component parameters, the reservoir conditions, and the gas properties as input. It will then calculate all unknown pressures and the mass flow rate in each flow component in the network. The program can treat networks containing up to fifty flow components and twenty-five unknown network pressures. The types of flow components that can be treated are face seals, narrow slots, and pipes. The program is written in both structured FORTRAN (SFTRAN) and FORTRAN 4. The program must be run in an interactive (conversational) mode.

  20. Decay Heat Calculations for Reactors: Development of a Computer Code ADWITA

    International Nuclear Information System (INIS)

    Raj, Devesh

    2015-01-01

    Estimation of release of energy (decay heat) over an extended period of time after termination of neutron induced fission is necessary for determining the heat removal requirements when the reactor is shutdown, and for fuel storage and transport facilities as well as for accident studies. A Fuel Cycle Analysis Code, ADWITA (Activation, Decay, Waste Incineration and Transmutation Analysis) which can generate inventory based on irradiation history and calculate radioactivity and decay heat for extended period of cooling, has been written. The method and data involved in Fuel Cycle Analysis Code ADWITA and some results obtained shall also be presented. (author)

  1. Utilization of the Nelkin model in a Hammer computer code for calculation the reactor parameters

    International Nuclear Information System (INIS)

    Leal, L.C.

    1980-07-01

    The possibility of modifying the HAMMER code, in the thermal part, by changing the thermal neutron scattering Kernel of its library for another one calculated in a subprogramm which can be incorporated to the code, is studied. This subprogramm uses the original version of the Nelkin model instead of its approximation which is used in the HAMMER. It has the advantage of giving the values of the Kernel for any temperature of the reactor for the approximations P 0 , P 1 , P 2 and P 3 . (Author) [pt

  2. Computer code TOBUNRAD for PWR fuel bundle heat-up calculations

    International Nuclear Information System (INIS)

    Shimooke, Takanori; Yoshida, Kazuo

    1979-05-01

    The computer code TOBUNRAD developed is for analysis of ''fuel-bundle'' heat-up phenomena in a loss-of-coolant accident of PWR. The fuel bundle consists of fuel pins in square lattice; its behavior is different from that of individual pins during heat-up. The code is based on the existing TOODEE2 code which analyzes heat-up phenomena of single fuel pins, so that the basic models of heat conduction and transfer and coolant flow are the same as the TOODEE2's. In addition to the TOODEE2 features, unheated rods are modeled and radiation heat loss is considered between fuel pins, a fuel pin and other heat sinks. The TOBUNRAD code is developed by a new FORTRAN technique which makes it possible to interrupt a flow of program controls wherever desired, thereby attaching several subprograms to the main code. Users' manual for TOBUNRAD is presented: The basic program-structure by interruption method, physical and computational model in each sub-code, usage of the code and sample problems. (author)

  3. Solving the neutron diffusion equation on combinatorial geometry computational cells for reactor physics calculations

    International Nuclear Information System (INIS)

    Azmy, Y. Y.

    2004-01-01

    An approach is developed for solving the neutron diffusion equation on combinatorial geometry computational cells, that is computational cells composed by combinatorial operations involving simple-shaped component cells. The only constraint on the component cells from which the combinatorial cells are assembled is that they possess a legitimate discretization of the underlying diffusion equation. We use the Finite Difference (FD) approximation of the x, y-geometry diffusion equation in this work. Performing the same combinatorial operations involved in composing the combinatorial cell on these discrete-variable equations yields equations that employ new discrete variables defined only on the combinatorial cell's volume and faces. The only approximation involved in this process, beyond the truncation error committed in discretizing the diffusion equation over each component cell, is a consistent-order Legendre series expansion. Preliminary results for simple configurations establish the accuracy of the solution to the combinatorial geometry solution compared to straight FD as the system dimensions decrease. Furthermore numerical results validate the consistent Legendre-series expansion order by illustrating the second order accuracy of the combinatorial geometry solution, the same as standard FD. Nevertheless the magnitude of the error for the new approach is larger than FD's since it incorporates the additional truncated series approximation. (authors)

  4. A new method of calculation of thyroid weight, using computed tomography

    International Nuclear Information System (INIS)

    Sugimura, Kazuro; Matsuo, Michimasa; Sugimura, Chie; Nishiyama, Shoji; Narabayashi, Isamu; Kimura, Shuji

    1983-01-01

    The weight of the thyroid gland is an important factor for determination of dose of the radioactive iodine that is used for the management of hyperthyroidism. Various methods employing scintigraphic image have been employed for estimation of the thyroid weight, but the error by these methods has been greater than 40 per cent. In this study, a new technique has been developed for more accurate estimation of the weight of the thyroid glands employing the distinctive system of three dimensional reconstruction with the simultaneous calculation of the volume of the thyroid using CT images. By this technique, the volume of thyroid phantom could be calculated with lesser than 9.4 per cent error. The proper interval of CT scan was 10 mm for satisfactory measurement. In 18 patients who have undergone thyroidectomy, the thyroid weight that had been estimated by our technique was compared with the actual weight of the excised specimen. There was a satisfactory correlation with 11.3 +- 7.5 per cent error. It has been concluded that our technique provides more accurate estimation of the weight of the thyroid glands than any other methods which have been previously employed. (author)

  5. A computer program for calculation of the fuel cycle in pressurized water reactors

    International Nuclear Information System (INIS)

    Solanilla, R.

    1976-01-01

    The purpose of the FUCEFURE program is two-fold: first, it is designed to solve the problem of nuclear fuel cycle cost in one pressurized light water reactor calculation. The code was developed primarily for comparative and sensitivity studies. The program contains simple correlations between exposure and available depletion data used to predict the uranium and plutonium content of the fuel as a function of the fuel initial enrichment. Second, it has been devised to evaluate the nuclear fuel demand associated with an expanding nuclear power system. Evaluation can be carried out at any time and stage in the fuel cycle. The program can calculate the natural uranium and separate work requirements of any final and tails enrichment. It also can determine the nuclear power share of each reactor in the system when a decision has been made about the long-term nuclear power installations to be used and the types of PWR and fast breeder reactor characteristics to be involved in them. (author)

  6. FRAPCON-2: A Computer Code for the Calculation of Steady State Thermal-Mechanical Behavior of Oxide Fuel Rods

    Energy Technology Data Exchange (ETDEWEB)

    Berna, G. A; Bohn, M. P.; Rausch, W. N.; Williford, R. E.; Lanning, D. D.

    1981-01-01

    FRAPCON-2 is a FORTRAN IV computer code that calculates the steady state response of light Mater reactor fuel rods during long-term burnup. The code calculates the temperature, pressure, deformation, and tai lure histories of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include (a) heat conduction through the fuel and cladding, (b) cladding elastic and plastic deformation, (c) fuel-cladding mechanical interaction, (d) fission gas release, (e} fuel rod internal gas pressure, (f) heat transfer between fuel and cladding, (g) cladding oxidation, and (h) heat transfer from cladding to coolant. The code contains necessary material properties, water properties, and heat transfer correlations. FRAPCON-2 is programmed for use on the CDC Cyber 175 and 176 computers. The FRAPCON-2 code Is designed to generate initial conditions for transient fuel rod analysis by either the FRAP-T6 computer code or the thermal-hydraulic code, RELAP4/MOD7 Version 2.

  7. Construction of a computational exposure model for dosimetric calculations using the EGS4 Monte Carlo code and voxel phantoms

    International Nuclear Information System (INIS)

    Vieira, Jose Wilson

    2004-07-01

    The MAX phantom has been developed from existing segmented images of a male adult body, in order to achieve a representation as close as possible to the anatomical properties of the reference adult male specified by the ICRP. In computational dosimetry, MAX can simulate the geometry of a human body under exposure to ionizing radiations, internal or external, with the objective of calculating the equivalent dose in organs and tissues for occupational, medical or environmental purposes of the radiation protection. This study presents a methodology used to build a new computational exposure model MAX/EGS4: the geometric construction of the phantom; the development of the algorithm of one-directional, divergent, and isotropic radioactive sources; new methods for calculating the equivalent dose in the red bone marrow and in the skin, and the coupling of the MAX phantom with the EGS4 Monte Carlo code. Finally, some results of radiation protection, in the form of conversion coefficients between equivalent dose (or effective dose) and free air-kerma for external photon irradiation are presented and discussed. Comparing the results presented with similar data from other human phantoms it is possible to conclude that the coupling MAX/EGS4 is satisfactory for the calculation of the equivalent dose in radiation protection. (author)

  8. Range calculations for spallation recoils in ThF4 by use of the computer code 'Marlowe'

    International Nuclear Information System (INIS)

    Westmeier, W.; Roessler, K.

    1978-12-01

    The determination of cross sections of spallation reactions requires a knowledge of the target thickness since only the products recoiling from the target are measured and their yield depends on the range. The effective target thickness is a function of the projectile's Z, A and spallation recoil energy and, thus, varies for the individual products. The computer code MARLOWE was used to evaluate energy vs. range curves in the binary collisions approximation. The program was extended to the high energy regime taking into account the stripping of electrons from the projectile and the concomitant changes in the interaction potentials especially for the inelastic part of the collisions. A complementary computer program LATTIC was developed for the parameterization of the lattice description. This code enables the application of MARLOWE to target materials with complicated crystallographic structure. Test calculations for a series of projectile/target combinations showed a reasonable agreement with experimental recoil ranges of Pd, Ag, Os and Ir isotopes from proton induced spallation in Ag, In and Pb targets, respectively. MARLOWE was then applied to calculate product ranges of the 232 Th(p,spall)X-reaction in the ployatomic system ThF 4 . The calculated energy vs. range curves enabled the evaluation of the mean spallation recoil ranges for all possible products, e.g. 170.8 μg/cm 2 for 192 Tl, 115.2 μg/cm 2 for 208 At and 37.1 μg/cm 2 for 223 Ac. (orig.)

  9. MIF-SCD computer code for thermal hydraulic calculation of supercritical water cooled reactor core

    International Nuclear Information System (INIS)

    Galina P Bogoslovskaia; Alexander A Karpenko; Pavel L Kirillov; Alexander P Sorokin

    2005-01-01

    Full text of publication follows: Supercritical pressure power plants constitute the basis of heat power engineering in many countries to day. Starting from a long-standing experience of their operation, it is proposed to develop a new type of fast breeder reactor cooled by supercritical water, which enables the economical indices of NPP to be substantially improved. In the Thermophysical Department of SSC RF-IPPE, an attempt is made to provide thermal-hydraulic validation of the reactor under discussion. The paper presents the results of analysis of the thermal-hydraulic characteristics of fuel subassemblies cooled by supercritical water based on subchannel analysis. Modification of subchannel code MIF - MIF-SCD Code - developed in the SSC RF IPPE is designed as block code and permits one to calculate the coolant temperature and velocity distributions in fuel subassembly channels, the temperature of fuel pin claddings and fuel subassembly wrapper under conditions of irregular geometry and non-uniform axial and radial power generation. The thermal hydraulics under supercritical pressure of water exhibits such peculiarities as abrupt variation of the thermal physical properties in the range of pseudo-critical temperature, the absence of such phenomenon as the critical heat flux which can lead to fuel element burnout in WWERs. As compared with subchannel code for light water, in order to take account of the variation of the coolant properties versus temperature in more detail, a block for evaluating the thermal physical properties of supercritical water versus the local coolant temperature in the fuel subassembly channels was added. The peculiarities of the geometry and power generation in the fuel subassembly of the supercritical reactor are considered as well in special blocks. The results of calculations have shown that considerable preheating of supercritical coolant (several hundreds degrees) can occur in the fuel subassembly. The test calculations according to

  10. Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

    International Nuclear Information System (INIS)

    Ma, Duancheng; Friák, Martin; Pezold, Johann von; Raabe, Dierk; Neugebauer, Jörg

    2015-01-01

    We propose an approach for the computationally efficient and quantitatively accurate prediction of solid-solution strengthening. It combines the 2-D Peierls–Nabarro model and a recently developed solid-solution strengthening model. Solid-solution strengthening is examined with Al–Mg and Al–Li as representative alloy systems, demonstrating a good agreement between theory and experiments within the temperature range in which the dislocation motion is overdamped. Through a parametric study, two guideline maps of the misfit parameters against (i) the critical resolved shear stress, τ 0 , at 0 K and (ii) the energy barrier, ΔE b , against dislocation motion in a solid solution with randomly distributed solute atoms are created. With these two guideline maps, τ 0 at finite temperatures is predicted for other Al binary systems, and compared with available experiments, achieving good agreement

  11. Computational programs for shielding calculation with transport of one dimensional and monoenergetic SN

    International Nuclear Information System (INIS)

    Nunes, Carlos Eduardo A.; Barros, Ricardo C.

    2009-01-01

    This paper describes a computational program for result simulation of neutron transport problems at one velocity with isotropic scattering in Cartesian onedimensional geometry. Describing the physical modelling, the next phase is a mathematical modelling of the physical problem for simulation of the neutron distribution. The mathematical modelling uses the linearized Boltzmann equation which represents a balance among the production and loss of particles. The formulation of the discrete ordinates S N consists of discretization of angular variables at N directions (discrete ordinates), and using a set of angular quadratures for the approximation of integral terms of scattering sources. The S N equations are numerically solved. This work describes three numerical methods: diamond difference, step and characteristic step. The paper also presents numerical results for illustration of the efficiency of the developed program

  12. Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

    Science.gov (United States)

    Lagorce, David; Douguet, Dominique; Miteva, Maria A.; Villoutreix, Bruno O.

    2017-04-01

    The modulation of PPIs by low molecular weight chemical compounds, particularly by orally bioavailable molecules, would be very valuable in numerous disease indications. However, it is known that PPI inhibitors (iPPIs) tend to have properties that are linked to poor Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) and in some cases to poor clinical outcomes. Previously reported in silico analyses of iPPIs have essentially focused on physicochemical properties but several other ADMET parameters would be important to assess. In order to gain new insights into the ADMET properties of iPPIs, computations were carried out on eight datasets collected from several databases. These datasets involve compounds targeting enzymes, GPCRs, ion channels, nuclear receptors, allosteric modulators, oral marketed drugs, oral natural product-derived marketed drugs and iPPIs. Several trends are reported that should assist the design and optimization of future PPI inhibitors, either for drug discovery endeavors or for chemical biology projects.

  13. Experimental design of membrane sensor for selective determination of phenazopyridine hydrochloride based on computational calculations

    International Nuclear Information System (INIS)

    Attia, Khalid A.M.; El-Abasawi, Nasr M.; Abdel-Azim, Ahmed H.

    2016-01-01

    Computational study has been done electronically and geometrically to select the most suitable ionophore to design a novel sensitive and selective electrochemical sensor for phenazopyridine hydrochloride (PAP). This study has revealed that sodium tetraphenylbarate (NaTPB) fits better with PAP than potassium tetrakis (KTClPB). The sensor design is based on the ion pair of PAP with NaTPB using dioctyl phthalate as a plasticizer. Under optimum conditions, the proposed sensor shows the slope of 59.5 mV per concentration decade in the concentration range of 1.0 × 10 −2 –1.0 × 10 −5 M with detection limit 8.5 × 10 −6 M. The sensor exhibits a very good selectivity for PAP with respect to a large number of interfering species as inorganic cations and sugars. The sensor enables track of determining PAP in the presence of its oxidative degradation product 2, 3, 6-Triaminopyridine, which is also its toxic metabolite. The proposed sensor has been successfully applied for the selective determination of PAP in pharmaceutical formulation. Also, the obtained results have been statistically compared to a reported electrochemical method indicating no significant difference between the investigated method and the reported one with respect to accuracy and precision. - Highlights: • Novel use of ISE for selective determination of phenazopyridine hydrochloride. • Investigating the degradation pathway of phenazopyridine with enough confirmation scan. • To avoid time-consuming and experimental trials, computational studies have been applied. • The proposed sensor shows high selectivity, reasonable detection limit and fast response.

  14. Experimental design of membrane sensor for selective determination of phenazopyridine hydrochloride based on computational calculations

    Energy Technology Data Exchange (ETDEWEB)

    Attia, Khalid A.M.; El-Abasawi, Nasr M.; Abdel-Azim, Ahmed H., E-mail: Ahmed.hussienabdelazim@hotmil.com

    2016-04-01

    Computational study has been done electronically and geometrically to select the most suitable ionophore to design a novel sensitive and selective electrochemical sensor for phenazopyridine hydrochloride (PAP). This study has revealed that sodium tetraphenylbarate (NaTPB) fits better with PAP than potassium tetrakis (KTClPB). The sensor design is based on the ion pair of PAP with NaTPB using dioctyl phthalate as a plasticizer. Under optimum conditions, the proposed sensor shows the slope of 59.5 mV per concentration decade in the concentration range of 1.0 × 10{sup −2}–1.0 × 10{sup −5} M with detection limit 8.5 × 10{sup −6} M. The sensor exhibits a very good selectivity for PAP with respect to a large number of interfering species as inorganic cations and sugars. The sensor enables track of determining PAP in the presence of its oxidative degradation product 2, 3, 6-Triaminopyridine, which is also its toxic metabolite. The proposed sensor has been successfully applied for the selective determination of PAP in pharmaceutical formulation. Also, the obtained results have been statistically compared to a reported electrochemical method indicating no significant difference between the investigated method and the reported one with respect to accuracy and precision. - Highlights: • Novel use of ISE for selective determination of phenazopyridine hydrochloride. • Investigating the degradation pathway of phenazopyridine with enough confirmation scan. • To avoid time-consuming and experimental trials, computational studies have been applied. • The proposed sensor shows high selectivity, reasonable detection limit and fast response.

  15. NEW DEVELOPMENTS ON INVERSE POLYGON MAPPING TO CALCULATE GRAVITATIONAL LENSING MAGNIFICATION MAPS: OPTIMIZED COMPUTATIONS

    International Nuclear Information System (INIS)

    Mediavilla, E.; Lopez, P.; Mediavilla, T.; Ariza, O.; Muñoz, J. A.; Gonzalez-Morcillo, C.; Jimenez-Vicente, J.

    2011-01-01

    We derive an exact solution (in the form of a series expansion) to compute gravitational lensing magnification maps. It is based on the backward gravitational lens mapping of a partition of the image plane in polygonal cells (inverse polygon mapping, IPM), not including critical points (except perhaps at the cell boundaries). The zeroth-order term of the series expansion leads to the method described by Mediavilla et al. The first-order term is used to study the error induced by the truncation of the series at zeroth order, explaining the high accuracy of the IPM even at this low order of approximation. Interpreting the Inverse Ray Shooting (IRS) method in terms of IPM, we explain the previously reported N –3/4 dependence of the IRS error with the number of collected rays per pixel. Cells intersected by critical curves (critical cells) transform to non-simply connected regions with topological pathologies like auto-overlapping or non-preservation of the boundary under the transformation. To define a non-critical partition, we use a linear approximation of the critical curve to divide each critical cell into two non-critical subcells. The optimal choice of the cell size depends basically on the curvature of the critical curves. For typical applications in which the pixel of the magnification map is a small fraction of the Einstein radius, a one-to-one relationship between the cell and pixel sizes in the absence of lensing guarantees both the consistence of the method and a very high accuracy. This prescription is simple but very conservative. We show that substantially larger cells can be used to obtain magnification maps with huge savings in computation time.

  16. Electronic stopping power calculation for water under the Lindhard formalism for application in proton computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero, A. F., E-mail: afguerreror@uqvirtual.edu.co [Departamento de Física, Universidad Del Quindío Cra 15 # 12N Armenia, Quindío (Colombia); Mesa, J., E-mail: jmesa@ibb.unesp.br [Instituto de Biociências de Botucatu da UNESP Distrito de Rubião Jr. s/n°, 18618-000, Botucatu, SP (Brazil)

    2016-07-07

    Because of the behavior that charged particles have when they interact with biological material, proton therapy is shaping the future of radiation therapy in cancer treatment. The planning of radiation therapy is made up of several stages. The first one is the diagnostic image, in which you have an idea of the density, size and type of tumor being treated; to understand this it is important to know how the particles beam interacts with the tissue. In this work, by using de Lindhard formalism and the Y.R. Waghmare model for the charge distribution of the proton, the electronic stopping power (SP) for a proton beam interacting with a liquid water target in the range of proton energies 10{sup 1} eV - 10{sup 10} eV taking into account all the charge states is calculated.

  17. Simple experimentally derived algorithm for computer calculated dose rates associated with /sup 137/Cs gynecologic insertions

    Energy Technology Data Exchange (ETDEWEB)

    Wrede, D E; Dawalibi, H [King Faisal Specialist Hospital and Research Centre, Department of Medical Physics. Riyadh (Saudi Arabia)

    1980-01-01

    A simple mathematical algorithm is derived from experimental data for dose rates from /sup 137/Cs sources in a finite tissue equivalent medium corresponding to the female pelvis. An analytical expression for a point source of /sup 137/Cs along with a simple numerical integration routine allows for rapid as well as accurate dose rate calculations at points of interest for gynecologic insertions. When compared with theoretical models assuming an infinite unit density medium, the measured dose rates are found to be systematically lower at distances away from a single source; 5 per cent at 2 cm and 10 per cent at 7 cm along the transverse axis. Allowance in the program for print out of dose rates from individual sources to a given point and the feature of source strength modification allows for optimization in terms of increasing the difference in dose rate between reference treatment points and sensitive structures such as the bladder, rectum and colon.

  18. Simple experimentally derived algorithm for computer calculated dose rates associated with 137Cs gynecologic insertions

    International Nuclear Information System (INIS)

    Wrede, D.E.; Dawalibi, H.

    1980-01-01

    A simple mathematical algorithm is derived from experimental data for dose rates from 137 Cs sources in a finite tissue equivalent medium corresponding to the female pelvis. An analytical expression for a point source of 137 Cs along with a simple numerical integration routine allows for rapid as well as accurate dose rate calculations at points of interest for gynecologic insertions. When compared with theoretical models assuming an infinite unit density medium, the measured dose rates are found to be systematically lower at distances away from a single source; 5 per cent at 2 cm and 10 per cent at 7 cm along the transverse axis. Allowance in the program for print out of dose rates from individual sources to a given point and the feature of source strength modification allows for optimization in terms of increasing the difference in dose rate between reference treatment points and sensitive structures such as the bladder, rectum and colon. (Auth.)

  19. Calculation of the RSG-GAS core using computer code citation-3D

    International Nuclear Information System (INIS)

    Taryo, T.; Rokhmadi

    1998-01-01

    Since core reactivity is one of the reactor safety parameters, this R and D has been carried out. To carry out the R and D, the code called WIMSD4 was used respectively for generating cross section and diffusion parameters. The code CITATION was then applied to estimate core reactivity in the RSG-GAS core. To verify the result of the calculation, data and information of the RSG-GAS Typical Working Core Were used. To Prove the codes reliably used, the case of all control elements down in the reactor core and that of all control rods up in the core were applied. The result taking into account those cases showed respectively that K eff are less and greater than unity (K eff eff >1)

  20. Method of computer algebraic calculation of the matrix elements in the second quantization language

    International Nuclear Information System (INIS)

    Gotoh, Masashi; Mori, Kazuhide; Itoh, Reikichi

    1995-01-01

    An automated method by the algebraic programming language REDUCE3 for specifying the matrix elements expressed in second quantization language is presented and then applied to the case of the matrix elements in the TDHF theory. This program works in a very straightforward way by commuting the electron creation and annihilation operator (a † and a) until these operators have completely vanished from the expression of the matrix element under the appropriate elimination conditions. An improved method using singlet generators of unitary transformations in the place of the electron creation and annihilation operators is also presented. This improvement reduces the time and memory required for the calculation. These methods will make programming in the field of quantum chemistry much easier. 11 refs., 1 tab

  1. Protonation Sites, Tandem Mass Spectrometry and Computational Calculations of o-Carbonyl Carbazolequinone Derivatives.

    Science.gov (United States)

    Martínez-Cifuentes, Maximiliano; Clavijo-Allancan, Graciela; Zuñiga-Hormazabal, Pamela; Aranda, Braulio; Barriga, Andrés; Weiss-López, Boris; Araya-Maturana, Ramiro

    2016-07-05

    A series of a new type of tetracyclic carbazolequinones incorporating a carbonyl group at the ortho position relative to the quinone moiety was synthesized and analyzed by tandem electrospray ionization mass spectrometry (ESI/MS-MS), using Collision-Induced Dissociation (CID) to dissociate the protonated species. Theoretical parameters such as molecular electrostatic potential (MEP), local Fukui functions and local Parr function for electrophilic attack as well as proton affinity (PA) and gas phase basicity (GB), were used to explain the preferred protonation sites. Transition states of some main fragmentation routes were obtained and the energies calculated at density functional theory (DFT) B3LYP level were compared with the obtained by ab initio quadratic configuration interaction with single and double excitation (QCISD). The results are in accordance with the observed distribution of ions. The nature of the substituents in the aromatic ring has a notable impact on the fragmentation routes of the molecules.

  2. Calculation of melatonin and resveratrol effects on steatosis hepatis using soft computing methods.

    Science.gov (United States)

    Talu, M Fatih; Gül, Mehmet; Alpaslan, Nuh; Yiğitcan, Birgül

    2013-08-01

    In this work, beneficial effects of melatonin and resveratrol drugs on liver damage in rats, induced by application of acute and chronic carbon tetrachloride (CCl4) have been examined. The study consists of three main stages: (1) DATA ACQUISITION: light microscopic images were obtained from 60 rats separated into 10 groups after the preparation of liver tissue samples for histological examination. Rats in first five experimental groups for the four-day and the other five groups for twenty-day were examined. (2) Data processing: by the help of histograms of oriented gradient (HOG) method, obtaining low-dimensional image features (color, shape and texture) and classifying five different group characteristics by using these features with artificial neural networks (ANNs), and support vector machines (SVMs) have been provided. (3) Calculation of drug effectiveness: firstly to determine the differences between group characteristics of rats, a pilot group has been selected (diseased group-CCl4), and the responses of ANN and SVM trained by HOG features have been calculated. As a result of ANN, it has been seen that melatonin and resveratrol drugs have %65.62-%75.12 positive effects at the end of the fourth day, %84.12-%98.89 positive effects on healing steatosis hepatis at the end of the twentieth day respectively and as a result of SVM, it has been seen that melatonin and resveratrol drugs have %62.5-%68.75 positive effects at the end of the fourth day, %45.12-%60.89 positive effects on healing steatosis hepatis at the end of the twentieth day respectively. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  3. Burnup calculations for KIPT accelerator driven subcritical facility using Monte Carlo computer codes-MCB and MCNPX

    International Nuclear Information System (INIS)

    Gohar, Y.; Zhong, Z.; Talamo, A.

    2009-01-01

    Argonne National Laboratory (ANL) of USA and Kharkov Institute of Physics and Technology (KIPT) of Ukraine have been collaborating on the conceptual design development of an electron accelerator driven subcritical (ADS) facility, using the KIPT electron accelerator. The neutron source of the subcritical assembly is generated from the interaction of 100 KW electron beam with a natural uranium target. The electron beam has a uniform spatial distribution and electron energy in the range of 100 to 200 MeV. The main functions of the subcritical assembly are the production of medical isotopes and the support of the Ukraine nuclear power industry. Neutron physics experiments and material structure analyses are planned using this facility. With the 100 KW electron beam power, the total thermal power of the facility is ∼375 kW including the fission power of ∼260 kW. The burnup of the fissile materials and the buildup of fission products reduce continuously the reactivity during the operation, which reduces the neutron flux level and consequently the facility performance. To preserve the neutron flux level during the operation, fuel assemblies should be added after long operating periods to compensate for the lost reactivity. This process requires accurate prediction of the fuel burnup, the decay behavior of the fission produces, and the introduced reactivity from adding fresh fuel assemblies. The recent developments of the Monte Carlo computer codes, the high speed capability of the computer processors, and the parallel computation techniques made it possible to perform three-dimensional detailed burnup simulations. A full detailed three-dimensional geometrical model is used for the burnup simulations with continuous energy nuclear data libraries for the transport calculations and 63-multigroup or one group cross sections libraries for the depletion calculations. Monte Carlo Computer code MCNPX and MCB are utilized for this study. MCNPX transports the electrons and the

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

    Science.gov (United States)

    Yang, Tzuhsiung; Berry, John F

    2018-06-04

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

  5. RISKIND: A computer program for calculating radiological consequences and health risks from transportation of spent nuclear fuel

    International Nuclear Information System (INIS)

    Yuan, Y.C.; Chen, S.Y.; LePoire, D.J.

    1993-02-01

    This report presents the technical details of RISIUND, a computer code designed to estimate potential radiological consequences and health risks to individuals and the collective population from exposures associated with the transportation of spent nuclear fuel. RISKIND is a user-friendly, semiinteractive program that can be run on an IBM or equivalent personal computer. The program language is FORTRAN-77. Several models are included in RISKIND that have been tailored to calculate the exposure to individuals under various incident-free and accident conditions. The incidentfree models assess exposures from both gamma and neutron radiation and can account for different cask designs. The accident models include accidental release, atmospheric transport, and the environmental pathways of radionuclides from spent fuels; these models also assess health risks to individuals and the collective population. The models are supported by databases that are specific to spent nuclear fuels and include a radionudide inventory and dose conversion factors

  6. RISKIND: A computer program for calculating radiological consequences and health risks from transportation of spent nuclear fuel

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Y.C. [Square Y, Orchard Park, NY (United States); Chen, S.Y.; LePoire, D.J. [Argonne National Lab., IL (United States). Environmental Assessment and Information Sciences Div.; Rothman, R. [USDOE Idaho Field Office, Idaho Falls, ID (United States)

    1993-02-01

    This report presents the technical details of RISIUND, a computer code designed to estimate potential radiological consequences and health risks to individuals and the collective population from exposures associated with the transportation of spent nuclear fuel. RISKIND is a user-friendly, semiinteractive program that can be run on an IBM or equivalent personal computer. The program language is FORTRAN-77. Several models are included in RISKIND that have been tailored to calculate the exposure to individuals under various incident-free and accident conditions. The incidentfree models assess exposures from both gamma and neutron radiation and can account for different cask designs. The accident models include accidental release, atmospheric transport, and the environmental pathways of radionuclides from spent fuels; these models also assess health risks to individuals and the collective population. The models are supported by databases that are specific to spent nuclear fuels and include a radionudide inventory and dose conversion factors.

  7. BUSH: A computer code for calculating steady state heat transfer in LWR rod bundles under accident conditions

    International Nuclear Information System (INIS)

    Shepherd, I.M.

    1982-01-01

    The computer code BUSH has been developed for the calculation of steady state heat transfer in a rod bundle. For a given power, flow and geometry it can calculate the temperatures in the rods, coolant and shroud assuming that at any axial level each rod can be described by one temperature and the coolant fluid is also radially uniform at this level. Heat transfer by convection and radiation are handled and the geometry is flexible enough to model nearly all types of envisaged shroud design for the SUPERSARA test series. The modular way in which BUSH has been written makes it suitable for future development, either within the present BUSH framework or as part of a more advanced code

  8. User's guide to SERICPAC: A computer program for calculating electric-utility avoided costs rates

    Energy Technology Data Exchange (ETDEWEB)

    Wirtshafter, R.; Abrash, M.; Koved, M.; Feldman, S.

    1982-05-01

    SERICPAC is a computer program developed to calculate average avoided cost rates for decentralized power producers and cogenerators that sell electricity to electric utilities. SERICPAC works in tandem with SERICOST, a program to calculate avoided costs, and determines the appropriate rates for buying and selling of electricity from electric utilities to qualifying facilities (QF) as stipulated under Section 210 of PURA. SERICPAC contains simulation models for eight technologies including wind, hydro, biogas, and cogeneration. The simulations are converted in a diversified utility production which can be either gross production or net production, which accounts for an internal electricity usage by the QF. The program allows for adjustments to the production to be made for scheduled and forced outages. The final output of the model is a technology-specific average annual rate. The report contains a description of the technologies and the simulations as well as complete user's guide to SERICPAC.

  9. Radioimmunoassay evaluation and quality control by use of a simple computer program for a low cost desk top calculator

    International Nuclear Information System (INIS)

    Schwarz, S.

    1980-01-01

    A simple computer program for the data processing and quality control of radioimmunoassays is presented. It is written for low cost programmable desk top calculator (Hewlett Packard 97), which can be afforded by smaller laboratories. The untreated counts from the scintillation spectrometer are entered manually; the printout gives the following results: initial data, logit-log transformed calibration points, parameters of goodness of fit and of the position of the standard curve, control and unknown samples dose estimates (mean value from single dose interpolations and scatter of replicates) together with the automatic calculation of within assay variance and, by use of magnetic cards holding the control parameters of all previous assays, between assay variance. (orig.) [de

  10. Detecting number processing and mental calculation in patients with disorders of consciousness using a hybrid brain-computer interface system.

    Science.gov (United States)

    Li, Yuanqing; Pan, Jiahui; He, Yanbin; Wang, Fei; Laureys, Steven; Xie, Qiuyou; Yu, Ronghao

    2015-12-15

    For patients with disorders of consciousness such as coma, a vegetative state or a minimally conscious state, one challenge is to detect and assess the residual cognitive functions in their brains. Number processing and mental calculation are important brain functions but are difficult to detect in patients with disorders of consciousness using motor response-based clinical assessment scales such as the Coma Recovery Scale-Revised due to the patients' motor impairments and inability to provide sufficient motor responses for number- and calculation-based communication. In this study, we presented a hybrid brain-computer interface that combines P300 and steady state visual evoked potentials to detect number processing and mental calculation in Han Chinese patients with disorders of consciousness. Eleven patients with disorders of consciousness who were in a vegetative state (n = 6) or in a minimally conscious state (n = 3) or who emerged from a minimally conscious state (n = 2) participated in the brain-computer interface-based experiment. During the experiment, the patients with disorders of consciousness were instructed to perform three tasks, i.e., number recognition, number comparison, and mental calculation, including addition and subtraction. In each experimental trial, an arithmetic problem was first presented. Next, two number buttons, only one of which was the correct answer to the problem, flickered at different frequencies to evoke steady state visual evoked potentials, while the frames of the two buttons flashed in a random order to evoke P300 potentials. The patients needed to focus on the target number button (the correct answer). Finally, the brain-computer interface system detected P300 and steady state visual evoked potentials to determine the button to which the patients attended, further presenting the results as feedback. Two of the six patients who were in a vegetative state, one of the three patients who were in a minimally conscious state, and

  11. SOILD: A computer model for calculating the effective dose equivalent from external exposure to distributed gamma sources in soil

    International Nuclear Information System (INIS)

    Chen, S.Y.; LePoire, D.; Yu, C.; Schafetz, S.; Mehta, P.

    1991-01-01

    The SOLID computer model was developed for calculating the effective dose equivalent from external exposure to distributed gamma sources in soil. It is designed to assess external doses under various exposure scenarios that may be encountered in environmental restoration programs. The models four major functional features address (1) dose versus source depth in soil, (2) shielding of clean cover soil, (3) area of contamination, and (4) nonuniform distribution of sources. The model is also capable of adjusting doses when there are variations in soil densities for both source and cover soils. The model is supported by a data base of approximately 500 radionuclides. 4 refs

  12. SARTEMP2 - A computer program to calculate power and temperatures in a transport flask during a criticality accident

    International Nuclear Information System (INIS)

    Shaw, P.M.

    1983-04-01

    The computer code SARTEMP2, an extended version of the original SARTEMP program, which calculates the power and temperatures in a transport flask during a hypothetical criticality accident is described. The accident arises, it is assumed, during the refilling of the flask with water, bringing the system to delayed critical. As the water level continues to rise, reactivity is added causing the power to rise, and thus temperatures in the fuel, clad and water to increase. The point kinetics equations are coupled to the one-dimensional heat conduction equation. The model used, the method of solution of the equations and the input data required are given. (author)

  13. An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes

    Science.gov (United States)

    Gerber, Paul R.; Mark, Alan E.; van Gunsteren, Wilfred F.

    1993-06-01

    Derivatives of free energy differences have been calculated by molecular dynamics techniques. The systems under study were ternary complexes of Trimethoprim (TMP) with dihydrofolate reductases of E. coli and chicken liver, containing the cofactor NADPH. Derivatives are taken with respect to modification of TMP, with emphasis on altering the 3-, 4- and 5-substituents of the phenyl ring. A linear approximation allows the encompassing of a whole set of modifications in a single simulation, as opposed to a full perturbation calculation, which requires a separate simulation for each modification. In the case considered here, the proposed technique requires a factor of 1000 less computing effort than a full free energy perturbation calculation. For the linear approximation to yield a significant result, one has to find ways of choosing the perturbation evolution, such that the initial trend mirrors the full calculation. The generation of new atoms requires a careful treatment of the singular terms in the non-bonded interaction. The result can be represented by maps of the changed molecule, which indicate whether complex formation is favoured under movement of partial charges and change in atom polarizabilities. Comparison with experimental measurements of inhibition constants reveals fair agreement in the range of values covered. However, detailed comparison fails to show a significant correlation. Possible reasons for the most pronounced deviations are given.

  14. A computer code for calculation of solvent-extraction separation in a multicomponent system with reference to nuclear fuel reprocessing

    International Nuclear Information System (INIS)

    Carassiti, F.; Liuzzo, G.; Morelli, A.

    1982-01-01

    Nuclear technology development pointed out the need for a new assessment of the fuel cycle back-end. Treatment and disposal of radioactive wastes arising from nuclear fuel reprocessing is known as one of the problems not yet satisfactorily solved, together with separation process of uranium and plutonium from fission products in highly irradiated fuels. Aim of this work is to present an improvement of the computer code for solvent extraction process calculation previously designed by the authors. The modeling of the extraction system has been modified by introducing a new method for calculating the distribution coefficients. The new correlations were based on deriving empirical functions for not only the apparent equilibrium constants, but also the solvation number. The mathematical model derived for calculating separation performance has been then tested for up to ten components and twelve theoretical stages with minor modifications to the convergence criteria. Suitable correlations for the calculation of the distribution coefficients of Uranium, Plutonium, Nitric Acid and fission products were constructed and used to successfully simulate several experimental conditions. (Author)

  15. ERATO - a computer program for the calculation of induced eddy-currents in three-dimensional conductive structures

    International Nuclear Information System (INIS)

    Benner, J.

    1985-10-01

    The computer code ERATO is used for the calculation of eddy-currents in three-dimensional conductive structures and their secondary magnetic field. ERATO is a revised version of the code FEDIFF, developed at IPP Garching. For the calculation the Finite-Element-Network (FEN) method is used, where the structure is simulated by an equivalent electric network. In the ERATO-code, the calculation of the finite-element discretization, the eddy-current analysis, and the final evaluation of the results are done in separate programs. So the eddy-current analysis as the central step is perfectly independent of a special geometry. For the finite-element discretization there are two so called preprocessors, which treat a torus-segment and a rectangular, flat plate. For the final evaluation postprocessors are used, by which the current-distributions can be printed and plotted. In the report, the theoretical foundation of the FEN-Method is discussed, the structure and the application of the programs (preprocessors, analysis-program, postprocessors, supporting programs) are shown, and two examples for calculations are presented. (orig.) [de

  16. Development of a computer model using the EGS4 simulation code to calculate scattered X-rays through some materials

    International Nuclear Information System (INIS)

    Al-Ghorabie, F.H.H.

    2003-01-01

    In this paper a computer model based on the use of the well-known Monte Carlo simulation code EGS4 was developed to simulate the scattering of polyenergetic X-ray beams through some materials. These materials are: lucite, polyethylene, polypropylene and aluminium. In particular, the ratio of the scattered to total X-ray fluence (scatter fraction) has been calculated for X-ray beams in the energy region 30-120 keV. In addition scatter fractions have been determined experimentally using a polyenergetic superficial X-ray unit. Comparison of the measured and the calculated results has been performed. The Monte Carlo calculations have also been carried out for water, bakelite and bone to examine the dependence of scatter fraction on the density of the scatterer. Good agreement (estimated statistical error < 5%) was obtained between the measured and the calculated values of the scatter fractions for materials with Z < 20 that were studied in this paper. Copyright (2003) Australasian College of Physical Scientists and Engineers in Medicine

  17. Analyse des erreurs dans les calculs sur ordinateurs Error Analysis in Computing

    Directory of Open Access Journals (Sweden)

    Vignes J.

    2006-11-01

    Full Text Available La méthode présentée ici permet d'évaluer l'erreur sur les résultats d'algorithmes, erreurs dues à l'arithmétique à précision limitée de la machines L'idée de base de cette méthode est qu'à un algorithme donné fournissant un résultat algébrique unique r, correspond en informatique un ensemble R de résultats numériques qui sont tous représentatifs de résultat exact r. La méthode de permutation-perturbation que nous présentons ici permet d'obtenir les éléments de R. La perturbation agit sur les données et résultats de chaque opération élémentaire. La permutation agit sur l'ordre d'exécution des opérations. Une étude statistique des éléments de R permet d'estimer l'erreur commise. Dans la pratique, il suffit de 2 ou 3 éléments de R pour connaître cette erreur. This paper describes a new method for evaluating the error in the results of computation of an algorithm. The basic idea underlying the method is that while in algebra a given algorithm provides a single result r, this same algorithm carried out on a computer provides a set R of numerical results that are ail representative of the exact algebraic result r. The permutation-perturbation method described here can be used to obtain the elements of R. The perturbation acts on the data and results of each elementary operation, and the permutation acts on the order in which operations are carried out. A statistical analysis of the elements of R is performed to determine the error committed. In practice, 2 to 4 R elements are sufficient for determining the error.

  18. A computer code to calculate the fast induced signals by electron swarms in gases

    Energy Technology Data Exchange (ETDEWEB)

    Tobias, Carmen C.B. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Mangiarotti, Alessio [Universidade de Coimbra (Portugal). Dept. de Fisica. Lab. de Instrumentacao e Fisica Experimental de Particulas

    2010-07-01

    Full text: The study of electron transport parameters (i.e. drift velocity, diffusion coefficients and first Townsend coefficient) in gases is very important in several areas of applied nuclear science. For example, they are a relevant input to the design of particle detector employing micro-structures (MSGC's, micromegas, GEM's) and RPC's (resistive plate chambers). Moreover, if the data are accurate and complete enough, they can be used to derive a set of electron impact cross-sections with their energy dependence, that are a key ingredient in micro-dosimetry calculations. Despite the fundamental need of such data and the long age of the field, the gases of possible interest are so many and the effort of obtaining good quality data so time demanding, that an important contribution can still be made. As an example, electrons drift velocity at moderate field strengths (up to 50 Td) in pure Isobutane (a tissue equivalent gas) has been measured only recently by the IPEN-LIP collaboration using a dedicated setup. The transport parameters are derived from the recorded electric pulse induced by a swarm started with a pulsed laser shining on the cathode. To aid the data analysis, a special code has been developed to calculate the induced pulse by solving the electrons continuity equation including growth, drift and diffusion. A realistic profile of the initial laser beam is taken into account as well as the boundary conditions at the cathode and anode. The approach is either semi-analytic, based on the expression derived by P. H. Purdie and J. Fletcher, or fully numerical, using a finite difference scheme improved over the one introduced by J. de Urquijo et al. The agreement between the two will be demonstrated under typical conditions for the mentioned experimental setup. A brief discussion on the stability of the finite difference scheme will be given. The new finite difference scheme allows a detailed investigation of the importance of back diffusion to

  19. Occlusion culling and calculation for a computer generated hologram using spatial frequency index method

    International Nuclear Information System (INIS)

    Zhao, Kai; Yan, Xingpeng; Jiang, Xiaoyu; Huang, Yingqing

    2015-01-01

    A spatial frequency index method is proposed to cull occlusion and generate a hologram. Object points with the same spatial frequency are put into a set for their mutual occlusion. The hidden surfaces of the three-dimensional (3D) scene are quickly removed through culling the object points that are furthest from the hologram plane in the set. The phases of plane wave, which are only interrelated with the spatial frequencies, are precomputed and stored in a table. According to the spatial frequency of the object points, the phases of plane wave for generating fringes are obtained directly from the table. Three 3D scenes are chosen to verify the spatial frequency index method. Both numerical simulation and optical reconstruction are performed. Experimental results demonstrate that the proposed method can cull the hidden surfaces of the 3D scene correctly. The occlusion effect of the 3D scene can be well reproduced. The computational speed is better than that obtained using conventional methods but is still time-consuming. (paper)

  20. Development and application of a new deterministic method for calculating computer model result uncertainties

    International Nuclear Information System (INIS)

    Maerker, R.E.; Worley, B.A.

    1989-01-01

    Interest in research into the field of uncertainty analysis has recently been stimulated as a result of a need in high-level waste repository design assessment for uncertainty information in the form of response complementary cumulative distribution functions (CCDFs) to show compliance with regulatory requirements. The solution to this problem must obviously rely on the analysis of computer code models, which, however, employ parameters that can have large uncertainties. The motivation for the research presented in this paper is a search for a method involving a deterministic uncertainty analysis approach that could serve as an improvement over those methods that make exclusive use of statistical techniques. A deterministic uncertainty analysis (DUA) approach based on the use of first derivative information is the method studied in the present procedure. The present method has been applied to a high-level nuclear waste repository problem involving use of the codes ORIGEN2, SAS, and BRINETEMP in series, and the resulting CDF of a BRINETEMP result of interest is compared with that obtained through a completely statistical analysis

  1. Calculation of free-energy differences from computer simulations of initial and final states

    International Nuclear Information System (INIS)

    Hummer, G.; Szabo, A.

    1996-01-01

    A class of simple expressions of increasing accuracy for the free-energy difference between two states is derived based on numerical thermodynamic integration. The implementation of these formulas requires simulations of the initial and final (and possibly a few intermediate) states. They involve higher free-energy derivatives at these states which are related to the moments of the probability distribution of the perturbation. Given a specified number of such derivatives, these integration formulas are optimal in the sense that they are exact to the highest possible order of free-energy perturbation theory. The utility of this approach is illustrated for the hydration free energy of water. This problem provides a quite stringent test because the free energy is a highly nonlinear function of the charge so that even fourth order perturbation theory gives a very poor estimate of the free-energy change. Our results should prove most useful for complex, computationally demanding problems where free-energy differences arise primarily from changes in the electrostatic interactions (e.g., electron transfer, charging of ions, protonation of amino acids in proteins). copyright 1996 American Institute of Physics

  2. A computational model for reliability calculation of steam generators from defects in its tubes

    International Nuclear Information System (INIS)

    Rivero, Paulo C.M.; Melo, P.F. Frutuoso e

    2000-01-01

    Nowadays, probability approaches are employed for calculating the reliability of steam generators as a function of defects in their tubes without any deterministic association with warranty assurance. Unfortunately, probability models produce large failure values, as opposed to the recommendation of the U.S. Code of Federal Regulations, that is, failure probabilities must be as small as possible In this paper, we propose the association of the deterministic methodology with the probabilistic one. At first, the failure probability evaluation of steam generators follows a probabilistic methodology: to find the failure probability, critical cracks - obtained from Monte Carlo simulations - are limited to have length's in the interval defined by their lower value and the plugging limit one, so as to obtain a failure probability of at most 1%. The distribution employed for modeling the observed (measured) cracks considers the same interval. Any length outside the mentioned interval is not considered for the probability evaluation: it is approached by the deterministic model. The deterministic approach is to plug the tube when any anomalous crack is detected in it. Such a crack is an observed one placed in the third region on the plot of the logarithmic time derivative of crack lengths versus the mode I stress intensity factor, while for normal cracks the plugging of tubes occurs in the second region of that plot - if they are dangerous, of course, considering their random evolution. A methodology for identifying anomalous cracks is also presented. (author)

  3. Reducing the computational requirements for simulating tunnel fires by combining multiscale modelling and multiple processor calculation

    DEFF Research Database (Denmark)

    Vermesi, Izabella; Rein, Guillermo; Colella, Francesco

    2017-01-01

    Multiscale modelling of tunnel fires that uses a coupled 3D (fire area) and 1D (the rest of the tunnel) model is seen as the solution to the numerical problem of the large domains associated with long tunnels. The present study demonstrates the feasibility of the implementation of this method...... in FDS version 6.0, a widely used fire-specific, open source CFD software. Furthermore, it compares the reduction in simulation time given by multiscale modelling with the one given by the use of multiple processor calculation. This was done using a 1200m long tunnel with a rectangular cross......-section as a demonstration case. The multiscale implementation consisted of placing a 30MW fire in the centre of a 400m long 3D domain, along with two 400m long 1D ducts on each side of it, that were again bounded by two nodes each. A fixed volume flow was defined in the upstream duct and the two models were coupled...

  4. User's manual to the ICRP Code: a series of computer programs to perform dosimetric calculations for the ICRP Committee 2 report

    International Nuclear Information System (INIS)

    Watson, S.B.; Ford, M.R.

    1980-02-01

    A computer code has been developed that implements the recommendations of ICRP Committee 2 for computing limits for occupational exposure of radionuclides. The purpose of this report is to describe the various modules of the computer code and to present a description of the methods and criteria used to compute the tables published in the Committee 2 report. The computer code contains three modules of which: (1) one computes specific effective energy; (2) one calculates cumulated activity; and (3) one computes dose and the series of ICRP tables. The description of the first two modules emphasizes the new ICRP Committee 2 recommendations in computing specific effective energy and cumulated activity. For the third module, the complex criteria are discussed for calculating the tables of committed dose equivalent, weighted committed dose equivalents, annual limit of intake, and derived air concentration

  5. User's manual to the ICRP Code: a series of computer programs to perform dosimetric calculations for the ICRP Committee 2 report

    Energy Technology Data Exchange (ETDEWEB)

    Watson, S.B.; Ford, M.R.

    1980-02-01

    A computer code has been developed that implements the recommendations of ICRP Committee 2 for computing limits for occupational exposure of radionuclides. The purpose of this report is to describe the various modules of the computer code and to present a description of the methods and criteria used to compute the tables published in the Committee 2 report. The computer code contains three modules of which: (1) one computes specific effective energy; (2) one calculates cumulated activity; and (3) one computes dose and the series of ICRP tables. The description of the first two modules emphasizes the new ICRP Committee 2 recommendations in computing specific effective energy and cumulated activity. For the third module, the complex criteria are discussed for calculating the tables of committed dose equivalent, weighted committed dose equivalents, annual limit of intake, and derived air concentration.

  6. Computational tools for the construction of calibration curves for use in dose calculations in radiotherapy treatment planning

    International Nuclear Information System (INIS)

    Oliveira, Alex C.H.; Vieira, Jose W.; Escola Politecnica de Pernambuco , Recife, PE

    2011-01-01

    The realization of tissue inhomogeneity corrections in image-based treatment planning improves the accuracy of radiation dose calculations for patients undergoing external-beam radiotherapy. Before the tissue inhomogeneity correction can be applied, the relationship between the computed tomography (CT) numbers and density must be established. This relationship is typically established by a calibration curve empirically obtained from CT images of a phantom that has several inserts of tissue-equivalent materials, covering a wide range of densities. This calibration curve is scanner-dependent and allows the conversion of CT numbers in densities for use in dose calculations. This paper describes the implementation of computational tools necessary to construct calibration curves. These tools are used for reading and displaying of CT images in DICOM format, determination of the mean CT numbers (and their standard deviations) of each tissue-equivalent material and construction of calibration curves by fits with bilinear equations. All these tools have been implemented in the Microsoft Visual Studio 2010 in C≠ programming language. (author)

  7. Efficient computer program EPAS-J1 for calculating stress intensity factors of three-dimensional surface cracks

    International Nuclear Information System (INIS)

    Miyazaki, Noriyuki; Watanabe, Takayuki; Yagawa, Genki.

    1982-03-01

    A finite element computer program EPAS-J1 was developed to calculate the stress intensity factors of three-dimensional cracks. In the program, the stress intensity factor is determined by the virtual crack extension method together with the distorted elements allocated along the crack front. This program also includes the connection elements based on the Lagrange multiplier concept to connect such different kinds of elements as the solid and shell elements, or the shell and beam elements. For the structure including three-dimensional surface cracks, the solid elements are employed only at the neighborhood of a surface crack, while the remainder of the structure is modeled by the shell or beam elements due to the reason that the crack singularity is very local. Computer storage and computational time can be highly reduced with the application of the above modeling technique for the calculation of the stress intensity factors of the three-dimensional surface cracks, because the three-dimensional solid elements are required only around the crack front. Several numerical analyses were performed by the EPAS-J1 program. At first, the accuracies of the connection element and the virtual crack extension method were confirmed using the simple structures. Compared with other techniques of connecting different kinds of elements such as the tying method or the method using anisotropic plate element, the present connection element is found to provide better results than the others. It is also found that the virtual crack extension method provides the accurate stress intensity factor. Furthermore, the results are also presented for the stress intensity factor analyses of cylinders with longitudinal or circumferential surface cracks using the combination of the various kinds of elements together with the connection elements. (author)

  8. Computational Modeling and Theoretical Calculations on the Interactions between Spermidine and Functional Monomer (Methacrylic Acid in a Molecularly Imprinted Polymer

    Directory of Open Access Journals (Sweden)

    Yujie Huang

    2015-01-01

    Full Text Available This paper theoretically investigates interactions between a template and functional monomer required for synthesizing an efficient molecularly imprinted polymer (MIP. We employed density functional theory (DFT to compute geometry, single-point energy, and binding energy (ΔE of an MIP system, where spermidine (SPD and methacrylic acid (MAA were selected as template and functional monomer, respectively. The geometry was calculated by using B3LYP method with 6-31+(d basis set. Furthermore, 6-311++(d, p basis set was used to compute the single-point energy of the above geometry. The optimized geometries at different template to functional monomer molar ratios, mode of bonding between template and functional monomer, changes in charge on natural bond orbital (NBO, and binding energy were analyzed. The simulation results show that SPD and MAA form a stable complex via hydrogen bonding. At 1 : 5 SPD to MAA ratio, the binding energy is minimum, while the amount of transferred charge between the molecules is maximum; SPD and MAA form a stable complex at 1 : 5 molar ratio through six hydrogen bonds. Optimizing structure of template-functional monomer complex, through computational modeling prior synthesis, significantly contributes towards choosing a suitable pair of template-functional monomer that yields an efficient MIP with high specificity and selectivity.

  9. Two computational approaches for Monte Carlo based shutdown dose rate calculation with applications to the JET fusion machine

    Energy Technology Data Exchange (ETDEWEB)

    Petrizzi, L.; Batistoni, P.; Migliori, S. [Associazione EURATOM ENEA sulla Fusione, Frascati (Roma) (Italy); Chen, Y.; Fischer, U.; Pereslavtsev, P. [Association FZK-EURATOM Forschungszentrum Karlsruhe (Germany); Loughlin, M. [EURATOM/UKAEA Fusion Association, Culham Science Centre, Abingdon, Oxfordshire, OX (United Kingdom); Secco, A. [Nice Srl Via Serra 33 Camerano Casasco AT (Italy)

    2003-07-01

    shortly after the deuterium-tritium experiment (DTE1) in 1997. Large computing power, both in terms of amount of data handling and storage and the CPU computing time is needed by the two methods, partly due to the complexity of the problem. With parallel versions of the MCNP code, running on two different platforms, a satisfying accuracy of the calculation has been reached in reasonable times. (authors)

  10. Two computational approaches for Monte Carlo based shutdown dose rate calculation with applications to the JET fusion machine

    International Nuclear Information System (INIS)

    Petrizzi, L.; Batistoni, P.; Migliori, S.; Chen, Y.; Fischer, U.; Pereslavtsev, P.; Loughlin, M.; Secco, A.

    2003-01-01

    shortly after the deuterium-tritium experiment (DTE1) in 1997. Large computing power, both in terms of amount of data handling and storage and the CPU computing time is needed by the two methods, partly due to the complexity of the problem. With parallel versions of the MCNP code, running on two different platforms, a satisfying accuracy of the calculation has been reached in reasonable times. (authors)

  11. Computational Model of D-Region Ion Production Caused by Energetic Electron Precipitations Based on General Monte Carlo Transport Calculations

    Science.gov (United States)

    Kouznetsov, A.; Cully, C. M.

    2017-12-01

    During enhanced magnetic activities, large ejections of energetic electrons from radiation belts are deposited in the upper polar atmosphere where they play important roles in its physical and chemical processes, including VLF signals subionospheric propagation. Electron deposition can affect D-Region ionization, which are estimated based on ionization rates derived from energy depositions. We present a model of D-region ion production caused by an arbitrary (in energy and pitch angle) distribution of fast (10 keV - 1 MeV) electrons. The model relies on a set of pre-calculated results obtained using a general Monte Carlo approach with the latest version of the MCNP6 (Monte Carlo N-Particle) code for the explicit electron tracking in magnetic fields. By expressing those results using the ionization yield functions, the pre-calculated results are extended to cover arbitrary magnetic field inclinations and atmospheric density profiles, allowing ionization rate altitude profile computations in the range of 20 and 200 km at any geographic point of interest and date/time by adopting results from an external atmospheric density model (e.g. NRLMSISE-00). The pre-calculated MCNP6 results are stored in a CDF (Common Data Format) file, and IDL routines library is written to provide an end-user interface to the model.

  12. Computational study of the hydrolysis of carbonyl sulphide: Thermodynamics and kinetic constants estimation using ab initio calculations

    International Nuclear Information System (INIS)

    Vidal-Vidal, Á.; Pérez-Rodríguez, M.; Piñeiro, M.M.

    2017-01-01

    Highlights: • OCS hydrolysis equilibrium constants were calculated using QM composite methods. • CBS-QB3 was found to be the most adequate method for OCS thermodynamic calculations. • Calculated hydrolysis yields decrease when temperature increases. • The isotopic effect is less significant than temperature or initial concentration dependences. - Abstract: Carbonyl sulphide is the predominant sulphur compound in the atmosphere, contributing to the formation of aerosol particles affecting global climate. Human activity has significantly increased its total amount since the beginning of the Industrial Revolution due to its presence in petroleum and coal, reason why it is necessary to understand and control its emissions. On the other hand, carbonyl sulphide is an undesired substance for catalysis in important industrial processes. Hydrolysis is the most promising among the different strategies to reduce its presence, giving as products carbon dioxide and hydrogen sulphide. In the present work, the mechanism of reaction of carbonyl sulphide hydrolysis process in gas phase was studied from 400 K to 1500 K, equilibrium constants were obtained and reaction yields were estimated, by means of composite quantum-computational methods. Good agreement with literature experimental results confirms the suitability of the chosen methods, specially CBS-QB3, in supporting the reaction mechanism, giving accurate equilibrium constant values, and obtaining realistic yields. The effect of isotopic substitution in OCS was also studied, from 300 K to 1500 K, being much less significant than temperature dependence.

  13. Development of a computer code for the calculation of stellar evolution, with applications to solar models of low neutrino flux

    International Nuclear Information System (INIS)

    Newman, M.J.

    1975-01-01

    A general purpose computer code has been developed to allow the detailed calculation of evolutionary sequences of hydrostatic stellar models under many circumstances of astrophysical interest. Solution of the structure equations is by the relaxation technique throughout the star without explicit integration and fitting for the outer envelope. A new matrix method of algebraic solution of the finite difference equations is employed, together with a modification of that method for the treatment of the central boundary condition. The method is easily adapted to an integration technique for the construction of initial models. It is demonstrated how the matrix technique allows determination of the derivatives of the matching condition in a single integration. The modification of the code for the purpose of detailed evolutionary calculation of a portion of a star is presented through the modification of the boundary conditions to represent in simple fashion the remainder of the star. Stability and convergence problems encountered in earlier versions of the code are discussed, as well as the techniques used to overcome them. The structure of the code is highly modular, so as to easily accommodate changes in input physics. Following the ad hoc suggestion of Clayton (1974), the calculations were repeated with the high energy tail of the Maxwell distribution of relative ion velocities depleted by various amounts. As an example of the technique of evolving a portion of a star a second application to the solar neutrino problem is made

  14. A simplified computer code based on point Kernel theory for calculating radiation dose in packages of radioactive material

    International Nuclear Information System (INIS)

    1986-03-01

    A study on radiation dose control in packages of radioactive waste from nuclear facilities, hospitals and industries, such as sources of Ra-226, Co-60, Ir-192 and Cs-137, is presented. The MAPA and MAPAM computer codes, based on point Kernel theory for calculating doses of several source-shielding type configurations, aiming to assure the safe transport conditions for these sources, was developed. The validation of the code for point sources, using the values provided by NCRP, for the thickness of lead and concrete shieldings, limiting the dose at 100 Mrem/hr for several distances from the source to the detector, was carried out. The validation for non point sources was carried out, measuring experimentally radiation dose from packages developed by Brazilian CNEN/S.P. for removing the sources. (M.C.K.) [pt

  15. Automatic 2D scintillation camera and computed tomography whole-body image registration to perform dosimetric calculations

    International Nuclear Information System (INIS)

    Cismondi, F.; Mosconi, S.L.

    2008-01-01

    Full text: In this work a software tool that has been developed to allow automatic registrations of 2D Scintillation Camera (SC) and Computed Tomography (CT) images is presented. This tool, used with a dosimetric software with Integrated Activity or Residence Time as input data, allows the user to assess physicians about effects of radiodiagnostic or radiotherapeutic practices that involves nuclear medicine 'open sources'. Images are registered locally and globally, maximizing Mutual Information coefficient between regions been registered. In the regional case whole-body images are segmented into five regions: head, thorax, pelvis, left and right legs. Each region has its own registration parameters, which are optimized through Powell-Brent minimization method that 'maximizes' Mutual Information coefficient. This software tool allows the user to draw ROIs, input isotope characteristics and finally calculate Integrated Activity or Residence Time in one or many specific organ. These last values can be introduced in many dosimetric software to finally obtain Absorbed Dose values. (author)

  16. STOSS - A computer module which can be used in Monte-Carlo-calculation for determining the path of a particle in a heterogeneous medium in three dimensions

    International Nuclear Information System (INIS)

    Sdouz, G.

    1980-09-01

    The computer program STOSS determines the path of a particle in a heterogenous medium in three dimensions. The program can be used as a module in Monte-Carlo-calculations. The collision can be transferred from the centre-of-mass system into a fixed cartesian coordinate-system by means of appropriate transformations. Then the path length is determined and the location of the next collision is calculated. The computational details are discussed at some length. (auth.)

  17. RISKIND: A computer program for calculating radiological consequences and health risks from transportation of spent nuclear fuel

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Y.C. [Square Y Consultants, Orchard Park, NY (US); Chen, S.Y.; Biwer, B.M.; LePoire, D.J. [Argonne National Lab., IL (US)

    1995-11-01

    This report presents the technical details of RISKIND, a computer code designed to estimate potential radiological consequences and health risks to individuals and the collective population from exposures associated with the transportation of spent nuclear fuel. RISKIND is a user-friendly, interactive program that can be run on an IBM or equivalent personal computer under the Windows{trademark} environment. Several models are included in RISKIND that have been tailored to calculate the exposure to individuals under various incident-free and accident conditions. The incident-free models assess exposures from both gamma and neutron radiation and can account for different cask designs. The accident models include accidental release, atmospheric transport, and the environmental pathways of radionuclides from spent fuels; these models also assess health risks to individuals and the collective population. The models are supported by databases that are specific to spent nuclear fuels and include a radionuclide inventory and dose conversion factors. In addition, the flexibility of the models allows them to be used for assessing any accidental release involving radioactive materials. The RISKIND code allows for user-specified accident scenarios as well as receptor locations under various exposure conditions, thereby facilitating the estimation of radiological consequences and health risks for individuals. Median (50% probability) and typical worst-case (less than 5% probability of being exceeded) doses and health consequences from potential accidental releases can be calculated by constructing a cumulative dose/probability distribution curve for a complete matrix of site joint-wind-frequency data. These consequence results, together with the estimated probability of the entire spectrum of potential accidents, form a comprehensive, probabilistic risk assessment of a spent nuclear fuel transportation accident.

  18. RISKIND: A computer program for calculating radiological consequences and health risks from transportation of spent nuclear fuel

    International Nuclear Information System (INIS)

    Yuan, Y.C.; Chen, S.Y.; Biwer, B.M.; LePoire, D.J.

    1995-11-01

    This report presents the technical details of RISKIND, a computer code designed to estimate potential radiological consequences and health risks to individuals and the collective population from exposures associated with the transportation of spent nuclear fuel. RISKIND is a user-friendly, interactive program that can be run on an IBM or equivalent personal computer under the Windows trademark environment. Several models are included in RISKIND that have been tailored to calculate the exposure to individuals under various incident-free and accident conditions. The incident-free models assess exposures from both gamma and neutron radiation and can account for different cask designs. The accident models include accidental release, atmospheric transport, and the environmental pathways of radionuclides from spent fuels; these models also assess health risks to individuals and the collective population. The models are supported by databases that are specific to spent nuclear fuels and include a radionuclide inventory and dose conversion factors. In addition, the flexibility of the models allows them to be used for assessing any accidental release involving radioactive materials. The RISKIND code allows for user-specified accident scenarios as well as receptor locations under various exposure conditions, thereby facilitating the estimation of radiological consequences and health risks for individuals. Median (50% probability) and typical worst-case (less than 5% probability of being exceeded) doses and health consequences from potential accidental releases can be calculated by constructing a cumulative dose/probability distribution curve for a complete matrix of site joint-wind-frequency data. These consequence results, together with the estimated probability of the entire spectrum of potential accidents, form a comprehensive, probabilistic risk assessment of a spent nuclear fuel transportation accident

  19. Analysis of the ITER computational shielding benchmark with the Monte Carlo TRIPOLI-4{sup ®} neutron gamma coupled calculations

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yi-Kang, E-mail: yi-kang.lee@cea.fr

    2016-11-01

    Highlights: • Verification and validation of TRIPOLI-4 radiation transport calculations for ITER shielding benchmark. • Evaluation of CEA-V5.1.1 and FENDL-3.0 nuclear data libraries on D–T fusion neutron continuous energy transport calculations. • Advances in nuclear analyses for nuclear heating and radiation damage in iron. • This work also demonstrates that the “safety factors” concept is necessary in the nuclear analyses of ITER. - Abstract: With the growing interest in using the continuous-energy TRIPOLI-4{sup ®} Monte Carlo radiation transport code for ITER applications, a key issue that arises is whether or not the released TRIPOLI-4 code and its associated nuclear data libraries are verified and validated for the D–T fusion neutronics calculations. Previous published benchmark results of TRIPOLI-4 code on the ITER related activities have concentrated on the first wall loading, the reactor dosimetry, the nuclear heating, and the tritium breeding ratio. To enhance the TRIPOLI-4 verification and validation on neutron-gamma coupled calculations for fusion device application, the computational ITER shielding benchmark of M. E. Sawan was performed in this work by using the 2013 released TRIPOLI-4.9S code and the associated CEA-V5.1.1 data library. First wall, blanket, vacuum vessel and toroidal field magnet of the inboard and outboard components were fully modelled in this 1-D toroidal cylindrical benchmark. The 14.1 MeV source neutrons were sampled from a uniform isotropic distribution in the plasma zone. Nuclear responses including neutron and gamma fluxes, nuclear heating, and material damage indicator were benchmarked against previous published results. The capabilities of the TRIPOLI-4 code on the evaluation of above physics parameters were presented. The nuclear data library from the new FENDL-3.0 evaluation was also benchmarked against the CEA-V5.1.1 results for the neutron transport calculations. The results show that both data libraries

  20. Analysis of the ITER computational shielding benchmark with the Monte Carlo TRIPOLI-4® neutron gamma coupled calculations

    International Nuclear Information System (INIS)

    Lee, Yi-Kang

    2016-01-01

    Highlights: • Verification and validation of TRIPOLI-4 radiation transport calculations for ITER shielding benchmark. • Evaluation of CEA-V5.1.1 and FENDL-3.0 nuclear data libraries on D–T fusion neutron continuous energy transport calculations. • Advances in nuclear analyses for nuclear heating and radiation damage in iron. • This work also demonstrates that the “safety factors” concept is necessary in the nuclear analyses of ITER. - Abstract: With the growing interest in using the continuous-energy TRIPOLI-4 ® Monte Carlo radiation transport code for ITER applications, a key issue that arises is whether or not the released TRIPOLI-4 code and its associated nuclear data libraries are verified and validated for the D–T fusion neutronics calculations. Previous published benchmark results of TRIPOLI-4 code on the ITER related activities have concentrated on the first wall loading, the reactor dosimetry, the nuclear heating, and the tritium breeding ratio. To enhance the TRIPOLI-4 verification and validation on neutron-gamma coupled calculations for fusion device application, the computational ITER shielding benchmark of M. E. Sawan was performed in this work by using the 2013 released TRIPOLI-4.9S code and the associated CEA-V5.1.1 data library. First wall, blanket, vacuum vessel and toroidal field magnet of the inboard and outboard components were fully modelled in this 1-D toroidal cylindrical benchmark. The 14.1 MeV source neutrons were sampled from a uniform isotropic distribution in the plasma zone. Nuclear responses including neutron and gamma fluxes, nuclear heating, and material damage indicator were benchmarked against previous published results. The capabilities of the TRIPOLI-4 code on the evaluation of above physics parameters were presented. The nuclear data library from the new FENDL-3.0 evaluation was also benchmarked against the CEA-V5.1.1 results for the neutron transport calculations. The results show that both data libraries can be

  1. Recommendations for computer code selection of a flow and transport code to be used in undisturbed vadose zone calculations for TWRS immobilized wastes environmental analyses

    International Nuclear Information System (INIS)

    VOOGD, J.A.

    1999-01-01

    An analysis of three software proposals is performed to recommend a computer code for immobilized low activity waste flow and transport modeling. The document uses criteria restablished in HNF-1839, ''Computer Code Selection Criteria for Flow and Transport Codes to be Used in Undisturbed Vadose Zone Calculation for TWRS Environmental Analyses'' as the basis for this analysis

  2. Computer program MCAP-TOSS calculates steady-state fluid dynamics of coolant in parallel channels and temperature distribution in surrounding heat-generating solid

    Science.gov (United States)

    Lee, A. Y.

    1967-01-01

    Computer program calculates the steady state fluid distribution, temperature rise, and pressure drop of a coolant, the material temperature distribution of a heat generating solid, and the heat flux distributions at the fluid-solid interfaces. It performs the necessary iterations automatically within the computer, in one machine run.

  3. Study of Variation in Dose Calculation Accuracy Between kV Cone-Beam Computed Tomography and kV fan-Beam Computed Tomography

    Science.gov (United States)

    Kaliyaperumal, Venkatesan; Raphael, C. Jomon; Varghese, K. Mathew; Gopu, Paul; Sivakumar, S.; Boban, Minu; Raj, N. Arunai Nambi; Senthilnathan, K.; Babu, P. Ramesh

    2017-01-01

    Cone-beam computed tomography (CBCT) images are presently used for geometric verification for daily patient positioning. In this work, we have compared the images of CBCT with the images of conventional fan beam CT (FBCT) in terms of image quality and Hounsfield units (HUs). We also compared the dose calculated using CBCT with that of FBCT. Homogenous RW3 plates and Catphan phantom were scanned by FBCT and CBCT. In RW3 and Catphan phantom, percentage depth dose (PDD), profiles, isodose distributions (for intensity modulated radiotherapy plans), and calculated dose volume histograms were compared. The HU difference was within ± 20 HU (central region) and ± 30 HU (peripheral region) for homogeneous RW3 plates. In the Catphan phantom, the difference in HU was ± 20 HU in the central area and peripheral areas. The HU differences were within ± 30 HU for all HU ranges starting from −1000 to 990 in phantom and patient images. In treatment plans done with simple symmetric and asymmetric fields, dose difference (DD) between CBCT plan and FBCT plan was within 1.2% for both phantoms. In intensity modulated radiotherapy (IMRT) treatment plans, for different target volumes, the difference was <2%. This feasibility study investigated HU variation and dose calculation accuracy between FBCT and CBCT based planning and has validated inverse planning algorithms with CBCT. In our study, we observed a larger deviation of HU values in the peripheral region compared to the central region. This is due to the ring artifact and scatter contribution which may prevent the use of CBCT as the primary imaging modality for radiotherapy treatment planning. The reconstruction algorithm needs to be modified further for improving the image quality and accuracy in HU values. However, our study with TG-119 and intensity modulated radiotherapy test targets shows that CBCT can be used for adaptive replanning as the recalculation of dose with the anisotropic analytical algorithm is in full accord

  4. Effects of megavoltage computed tomographic scan methodology on setup verification and adaptive dose calculation in helical TomoTherapy.

    Science.gov (United States)

    Zhu, Jian; Bai, Tong; Gu, Jiabing; Sun, Ziwen; Wei, Yumei; Li, Baosheng; Yin, Yong

    2018-04-27

    To evaluate the effect of pretreatment megavoltage computed tomographic (MVCT) scan methodology on setup verification and adaptive dose calculation in helical TomoTherapy. Both anthropomorphic heterogeneous chest and pelvic phantoms were planned with virtual targets by TomoTherapy Physicist Station and were scanned with TomoTherapy megavoltage image-guided radiotherapy (IGRT) system consisted of six groups of options: three different acquisition pitches (APs) of 'fine', 'normal' and 'coarse' were implemented by multiplying 2 different corresponding reconstruction intervals (RIs). In order to mimic patient setup variations, each phantom was shifted 5 mm away manually in three orthogonal directions respectively. The effect of MVCT scan options was analyzed in image quality (CT number and noise), adaptive dose calculation deviations and positional correction variations. MVCT scanning time with pitch of 'fine' was approximately twice of 'normal' and 3 times more than 'coarse' setting, all which will not be affected by different RIs. MVCT with different APs delivered almost identical CT numbers and image noise inside 7 selected regions with various densities. DVH curves from adaptive dose calculation with serial MVCT images acquired by varied pitches overlapped together, where as there are no significant difference in all p values of intercept & slope of emulational spinal cord (p = 0.761 & 0.277), heart (p = 0.984 & 0.978), lungs (p = 0.992 & 0.980), soft tissue (p = 0.319 & 0.951) and bony structures (p = 0.960 & 0.929) between the most elaborated and the roughest serials of MVCT. Furthermore, gamma index analysis shown that, compared to the dose distribution calculated on MVCT of 'fine', only 0.2% or 1.1% of the points analyzed on MVCT of 'normal' or 'coarse' do not meet the defined gamma criterion. On chest phantom, all registration errors larger than 1 mm appeared at superior-inferior axis, which cannot be avoided with the smallest AP and RI

  5. G.M.S.I. - A generalised multigroup system of calculations using the IBM 7030 (stretch) computer

    International Nuclear Information System (INIS)

    Gratton, C.P.; Smith, P.E.

    1965-02-01

    G.M.S. is a generalised system of reactor physics calculations written in the FORTRAN programming language for the IBM 7030 (STRETCH) computer. The programme will perform cell, supercell and overall reactor physics problems within the limits of one dimension using either slab or cylindrical geometry. The Winfrith DSN(1) programme has been incorporated as a subroutine and all flux distribution calculations are performed using Transport Theory. A facility for the study of fuel burn-up has been included with boundary conditions for either cell irradiations or the burn-up characteristics of the overall reactor. Particular attention has been paid to the simplicity of the input to the programme to allow a wide range of potential users and extensive edit facilities have been incorporated to allow the better understanding of the multigroup output. A graphical output option is available using the STROMBERG-CARLSON equipment and, by a series of commands, graphs of power peaking and burn-up rates are produced for the designer or, alternatively, neutron spectra and activations for comparison with experiment, The logic of the programme is written in terms of 40 neutron energy groups, the group boundaries of which may be selected by the user. Clearly the use of the system for fast reactor calculations requires that greater emphasis be given to the representation of neutron events at high energy than would be necessary for thermal reactor studies. It is envisaged therefore that eventually two library files will be made available to cover the extreme cases of fast and thermal systems and that the group boundaries of these will be selected to enable adequate treatment of intermediate spectrum reactors. At the present time the thermal reactor library file only has been prepared; the content of this library is discussed in Section 2. The group structure is comprised of twelve groups in the fast and intermediate energy region, ten groups in and around the plutonium 240 resonance at 1

  6. A computer program to calculate nuclide yields in complex decay chain for selection of optimum irradiation and cooling condition

    International Nuclear Information System (INIS)

    Takeda, Tsuneo

    1977-11-01

    This report is prepared as a user's input manual for a computer code CODAC-No.5 and provides a general description of the code and instructions for its use. The code represents a modified version of the CODAC-No.4 code. The code developed is capable of calculating radioactive nuclide yields in an any given complex decay and activation chain independent of irradiation history. In this code, eighteen kinds of valuable tables and graphs can be prepared for output. They are available for selection of optimum irradiation and cooling conditions and for other intentions in accordance with irradiation and cooling. For a example, the ratio of a nuclide yield to total nuclide yield depending on irradiation and cooling times is obtained. In these outputs, several kinds of complex and intricate equations and others are included. This code has almost the same input forms as that of CODAC-No.4 code excepting input of irradiation history data. Input method and formats used for this code are very simple for any kinds of nuclear data. List of FORTRAN statements, examples of input data and output results and list of input parameters and its definitions are given in this report. (auth.)

  7. Calculation of DND-signals in case of fuel pin failures in KNK II with the computer code FICTION III

    International Nuclear Information System (INIS)

    Schmuck, I.

    1990-11-01

    In KNK II two delayed neutron detectors are installed for quick detection of fuel subassembly cladding failures. They record the release of the precursors of the emitters of delayed neutrons into the sodium. The computer code FICTION III calculates the expected delayed neutron signals for certain fuel pin failures, where the user has to set the boundary conditions interactively. In view of FICTION II the advancement of FICTION III consists of the following items: application of the data sets of 105 isotopes, distinction of thermal and fast neutron induced fission, partitioning of the sodium flow into two circuits, consideration of the specific fission rates in 10 fuel pin sections, elaboration of the user's interaction possibilities for input/ output. The capability of FICTION III is shown by means of two applications (UNi-test pin on position 100 and the third KNK fuel subassembly cladding failure). Object of further evaluations will be among other things the analysis of increased delayed neutron signals in regard to the fault location and dimension

  8. Computation of a voxelized anthropomorphic phantom from Computer Tomography slices and 3D dose distribution calculation utilizing the MCNP5 Code

    International Nuclear Information System (INIS)

    Abella, V.; Miro, R.; Juste, B.; Verdu, G.

    2008-01-01

    Full text: The purpose of this work is to obtain the voxelization of a series of tomography slices in order to provide a voxelized human phantom throughout a MatLab algorithm, and the consequent simulation of the irradiation of such phantom with the photon beam generated in a Theratron 780 (MDS Nordion) 60 Co radiotherapy unit, using the Monte Carlo transport code MCNP (Monte Carlo N-Particle), version 5. The project provides as results dose mapping calculations inside the voxelized anthropomorphic phantom. Prior works have validated the cobalt therapy model utilizing a simple heterogeneous water cube-shaped phantom. The reference phantom model utilized in this work is the Zubal phantom, which consists of a group of pre-segmented CT slices of a human body. The CT slices are to be input into the Matlab program which computes the voxelization by means of two-dimensional pixel and material identification on each slice, and three-dimensional interpolation, in order to depict the phantom geometry via small cubic cells. Each slice is divided in squares with the size of the desired voxelization, and then the program searches for the pixel intensity with a predefined material at each square, making a subsequent three-dimensional interpolation. At the end of this process, the program produces a voxelized phantom in which each voxel defines the mixture of the different materials that compose it. In the case of the Zubal phantom, the voxels result in pure organ materials due to the fact that the phantom is presegmented. The output of this code follows the MCNP input deck format and is integrated in a full input model including the 60 Co radiotherapy unit. Dose rates are calculated using the MCNP5 tool FMESH, superimposed mesh tally. This feature allows to tally particles on an independent mesh over the problem geometry, and to obtain the length estimation of the particle flux, in units of particles/cm 2 (tally F4). Furthermore, the particle flux is transformed into dose by

  9. Variations of dose distribution in high energy electron beams as a function of geometrical parameters of irradiation. Application to computer calculation

    International Nuclear Information System (INIS)

    Villeret, O.

    1985-04-01

    An algorithm is developed for the purpose of compter treatment planning of electron therapy. The method uses experimental absorbed dose distribution data in the irradiated medium for electron beams in the 8-20 MeV range delivered by the Sagittaire linear accelerator (study of central axis depth dose, beam profiles) in various geometrical conditions. Experimental verification of the computer program showed agreement with 2% between dose measurement and computer calculation [fr

  10. Integrated design of Nb-based superalloys: Ab initio calculations, computational thermodynamics and kinetics, and experimental results

    International Nuclear Information System (INIS)

    Ghosh, G.; Olson, G.B.

    2007-01-01

    An optimal integration of modern computational tools and efficient experimentation is presented for the accelerated design of Nb-based superalloys. Integrated within a systems engineering framework, we have used ab initio methods along with alloy theory tools to predict phase stability of solid solutions and intermetallics to accelerate assessment of thermodynamic and kinetic databases enabling comprehensive predictive design of multicomponent multiphase microstructures as dynamic systems. Such an approach is also applicable for the accelerated design and development of other high performance materials. Based on established principles underlying Ni-based superalloys, the central microstructural concept is a precipitation strengthened system in which coherent cubic aluminide phase(s) provide both creep strengthening and a source of Al for Al 2 O 3 passivation enabled by a Nb-based alloy matrix with required ductile-to-brittle transition temperature, atomic transport kinetics and oxygen solubility behaviors. Ultrasoft and PAW pseudopotentials, as implemented in VASP, are used to calculate total energy, density of states and bonding charge densities of aluminides with B2 and L2 1 structures relevant to this research. Characterization of prototype alloys by transmission and analytical electron microscopy demonstrates the precipitation of B2 or L2 1 aluminide in a (Nb) matrix. Employing Thermo-Calc and DICTRA software systems, thermodynamic and kinetic databases are developed for substitutional alloying elements and interstitial oxygen to enhance the diffusivity ratio of Al to O for promotion of Al 2 O 3 passivation. However, the oxidation study of a Nb-Hf-Al alloy, with enhanced solubility of Al in (Nb) than in binary Nb-Al alloys, at 1300 deg. C shows the presence of a mixed oxide layer of NbAlO 4 and HfO 2 exhibiting parabolic growth

  11. TIMED: a computer program for calculating cumulated activity of a radionuclide in the organs of the human body at a given time, t, after deposition

    International Nuclear Information System (INIS)

    Watson, S.B.; Snyder, W.S.; Ford, M.R.

    1976-12-01

    TIMED is a computer program designed to calculate cumulated radioactivity in the various source organs at various times after radionuclide deposition. TIMED embodies a system of differential equations which describes activity transfer in the lungs, gastrointestinal tract, and other organs of the body. This system accounts for delay of transfer of activity between compartments of the body and radioactive daughters

  12. A guide to the use of TIRION. A computer programme for the calculation of the consequences of releasing radioactive material to the atmosphere

    International Nuclear Information System (INIS)

    Kaiser, G.D.

    1976-11-01

    A brief description is given of the contents of TIRION, which is a computer program that has been written for use in calculations of the consequences of releasing radioactive material to the atmosphere. This is followed by a section devoted to an account of the control and data cards that make up the input to TIRION. (author)

  13. Description and application of the EAP computer program for calculating life-cycle energy use and greenhouse gas emissions of household consumption items

    NARCIS (Netherlands)

    Benders, R.M.J.; Wilting, H.C.; Kramer, K.J.; Moll, H.C.

    2001-01-01

    Focusing on reduction in energy use and greenhouse gas emissions, a life-cycle-based analysis tool has been developed. The energy analysis program (EAP) is a computer program for determining energy use and greenhouse gas emissions related to household consumption items, using a hybrid calculation

  14. Calculation of transmission and other functionals from evaluated data in ENDF format by means of personal computers

    International Nuclear Information System (INIS)

    Vertes, P.

    1991-04-01

    The FDMXPC program package was developed on the basis of the program system FEDMIX written for mainframe computers. The new program package for personal computers was developed for the interpretation of neutron transmission experiments and for producing group averaged infinite diluted and self-shielded cross sections, starting from evaluated data in ENDF format. The package was written for different FORTRAN compilers residing in personal computers under MS-DOS. (R.P.) 12 refs

  15. FLUST-2D - A computer code for the calculation of the two-dimensional flow of a compressible medium in coupled retangular areas

    International Nuclear Information System (INIS)

    Enderle, G.

    1979-01-01

    The computer-code FLUST-2D is able to calculate the two-dimensional flow of a compressible fluid in arbitrary coupled rectangular areas. In a finite-difference scheme the program computes pressure, density, internal energy and velocity. Starting with a basic set of equations, the difference equations in a rectangular grid are developed. The computational cycle for coupled fluid areas is described. Results of test calculations are compared to analytical solutions and the influence of time step and mesh size are investigated. The program was used to precalculate the blowdown experiments of the HDR experimental program. Downcomer, plena, internal vessel region, blowdown pipe and a containment area have been modelled two-dimensionally. The major results of the precalculations are presented. This report also contains a description of the code structure and user information. (orig.) [de

  16. Calculating buoy response for a wave energy converter—A comparison of two computational methods and experimental results

    Directory of Open Access Journals (Sweden)

    Linnea Sjökvist

    2017-05-01

    Full Text Available When designing a wave power plant, reliable and fast simulation tools are required. Computational fluid dynamics (CFD software provides high accuracy but with a very high computational cost, and in operational, moderate sea states, linear potential flow theories may be sufficient to model the hydrodynamics. In this paper, a model is built in COMSOL Multiphysics to solve for the hydrodynamic parameters of a point-absorbing wave energy device. The results are compared with a linear model where the hydrodynamical parameters are computed using WAMIT, and to experimental results from the Lysekil research site. The agreement with experimental data is good for both numerical models.

  17. EXTENDCHAIN: a package of computer programs for calculating the buildup of heavy metals, fission products, and activation products in reactor fuel elements

    International Nuclear Information System (INIS)

    Robertson, M.W.

    1977-01-01

    Design of HTGR recycle and refabrication facilities requires a detailed knowledge of the concentrations of around 400 nuclides which are segregated into four different fuel particle types. The EXTENDCHAIN package of computer programs and the supporting input data files were created to provide an efficient method for calculating the 1600 different concentrations required. The EXTENDCHAIN code performs zero-dimensional nuclide burnup, decay, and activation calculations in nine energy groups for up to 108 nuclides per run. Preparation and handling of the input and output for the sixteen EXTENDCHAIN runs required to produce the desired data are the most time consuming tasks in the computation of the spent fuel element composition. The EXTENDCHAIN package of computer programs contains four codes to aid in the preparation and handling of these data. Most of the input data such as cross sections, decay constants, and the nuclide interconnection scheme will not change when calculating new cases. These data were developed for the life cycle of a typical HTGR and stored on archive tapes for future use. The fuel element composition for this typical HTGR life has been calculated and the results for an equilibrium recycle reload are presented. 12 figures, 7 tables

  18. Doing Very Big Calculations on Modest Size Computers: Reducing the Cost of Exact Diagonalization Using Singular Value Decomposition

    International Nuclear Information System (INIS)

    Weinstein, M.

    2012-01-01

    I will talk about a new way of implementing Lanczos and contraction algorithms to diagonalize lattice Hamiltonians that dramatically reduces the memory required to do the computation, without restricting to variational ansatzes. (author)

  19. An Evaluation of the FIDAP Computational Fluid Dynamics Code for the Calculation of Hydrodynamic Forces on Underwater Platforms

    National Research Council Canada - National Science Library

    Jones, D

    2003-01-01

    ..., spheres, flat plates, and wing profiles. The degree to which FIDAP accurately reproduces known experimental data on these shapes is described and the applicability of other Computational Fluid Dynamics packages is discussed. (13 tables, 2 figures, 38 refs.)

  20. FORIG: a computer code for calculating radionuclide generation and depletion in fusion and fission reactors. User's manual

    International Nuclear Information System (INIS)

    Blink, J.A.

    1985-03-01

    In this manual we describe the use of the FORIG computer code to solve isotope-generation and depletion problems in fusion and fission reactors. FORIG runs on a Cray-1 computer and accepts more extensive activation cross sections than ORIGEN2 from which it was adapted. This report is an updated and a combined version of the previous ORIGEN2 and FORIG manuals. 7 refs., 15 figs., 13 tabs

  1. A computer program for calculation of reliable pair distribution functions of non-crystalline materials from limited diffraction data. III

    International Nuclear Information System (INIS)

    Hansen, F.Y.

    1978-01-01

    This program calculates the final pair distribution functions of non-crystalline materials on the basis of the experimental structure factor as calculated in part I and the parameters of the small distance part of the pair distribution function as calculated in part II. In this way, truncation error may be eliminated from the final pair distribution function. The calculations with this program depend on the results of calculations with the programs described in parts I and II. The final pair distribution function is calculated by a Fourier transform of a combination of an experimental structure factor and a model structure factor. The storage requirement depends on the number of data points in the structure factor, the number of data points in the final pair distribution function and the number of peaks necessary to resolve the small distance part of the pair distribution function. In the present set-up a storage requirement is set to 8860 words which is estimated to be satisfactory for a large number of cases. (Auth.)

  2. PopSc: Computing Toolkit for Basic Statistics of Molecular Population Genetics Simultaneously Implemented in Web-Based Calculator, Python and R.

    Directory of Open Access Journals (Sweden)

    Shi-Yi Chen

    Full Text Available Although various computer tools have been elaborately developed to calculate a series of statistics in molecular population genetics for both small- and large-scale DNA data, there is no efficient and easy-to-use toolkit available yet for exclusively focusing on the steps of mathematical calculation. Here, we present PopSc, a bioinformatic toolkit for calculating 45 basic statistics in molecular population genetics, which could be categorized into three classes, including (i genetic diversity of DNA sequences, (ii statistical tests for neutral evolution, and (iii measures of genetic differentiation among populations. In contrast to the existing computer tools, PopSc was designed to directly accept the intermediate metadata, such as allele frequencies, rather than the raw DNA sequences or genotyping results. PopSc is first implemented as the web-based calculator with user-friendly interface, which greatly facilitates the teaching of population genetics in class and also promotes the convenient and straightforward calculation of statistics in research. Additionally, we also provide the Python library and R package of PopSc, which can be flexibly integrated into other advanced bioinformatic packages of population genetics analysis.

  3. PopSc: Computing Toolkit for Basic Statistics of Molecular Population Genetics Simultaneously Implemented in Web-Based Calculator, Python and R.

    Science.gov (United States)

    Chen, Shi-Yi; Deng, Feilong; Huang, Ying; Li, Cao; Liu, Linhai; Jia, Xianbo; Lai, Song-Jia

    2016-01-01

    Although various computer tools have been elaborately developed to calculate a series of statistics in molecular population genetics for both small- and large-scale DNA data, there is no efficient and easy-to-use toolkit available yet for exclusively focusing on the steps of mathematical calculation. Here, we present PopSc, a bioinformatic toolkit for calculating 45 basic statistics in molecular population genetics, which could be categorized into three classes, including (i) genetic diversity of DNA sequences, (ii) statistical tests for neutral evolution, and (iii) measures of genetic differentiation among populations. In contrast to the existing computer tools, PopSc was designed to directly accept the intermediate metadata, such as allele frequencies, rather than the raw DNA sequences or genotyping results. PopSc is first implemented as the web-based calculator with user-friendly interface, which greatly facilitates the teaching of population genetics in class and also promotes the convenient and straightforward calculation of statistics in research. Additionally, we also provide the Python library and R package of PopSc, which can be flexibly integrated into other advanced bioinformatic packages of population genetics analysis.

  4. A user`s guide to LUGSAN II. A computer program to calculate and archive lug and sway brace loads for aircraft-carried stores

    Energy Technology Data Exchange (ETDEWEB)

    Dunn, W.N. [Sandia National Labs., Albuquerque, NM (United States). Mechanical and Thermal Environments Dept.

    1998-03-01

    LUG and Sway brace ANalysis (LUGSAN) II is an analysis and database computer program that is designed to calculate store lug and sway brace loads for aircraft captive carriage. LUGSAN II combines the rigid body dynamics code, SWAY85, with a Macintosh Hypercard database to function both as an analysis and archival system. This report describes the LUGSAN II application program, which operates on the Macintosh System (Hypercard 2.2 or later) and includes function descriptions, layout examples, and sample sessions. Although this report is primarily a user`s manual, a brief overview of the LUGSAN II computer code is included with suggested resources for programmers.

  5. Calculation of electromagnetic fields in electric machines by means of the finite element. Computational aspects; Calculo de campos electromagneticos en maquinas electricas mediante elemento finito. Aspectos computacionales

    Energy Technology Data Exchange (ETDEWEB)

    Rosales, Mario; De la Torre, Octavio [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1990-12-31

    In this article are described the computational characteristics of the Package CALIIE 2D of the Instituto de Investigaciones Electricas (IIE), for the calculation of bi-dimensional electromagnetic fields. The computational implementation of the package is based in the electromagnetic and numerical statements formerly published in this series. [Espanol] En este articulo se describen las caracteristicas computacionales del paquete CALIIE 2D del Instituto de Investigaciones Electricas (IIE), para calcular campos electromagneticos bidimensionales. La implantacion computacional del paquete se basa en los planteamientos electromagneticos y numericos antes publicados en esta serie.

  6. Calculation of electromagnetic fields in electric machines by means of the finite element. Computational aspects; Calculo de campos electromagneticos en maquinas electricas mediante elemento finito. Aspectos computacionales

    Energy Technology Data Exchange (ETDEWEB)

    Rosales, Mario; De la Torre, Octavio [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1989-12-31

    In this article are described the computational characteristics of the Package CALIIE 2D of the Instituto de Investigaciones Electricas (IIE), for the calculation of bi-dimensional electromagnetic fields. The computational implementation of the package is based in the electromagnetic and numerical statements formerly published in this series. [Espanol] En este articulo se describen las caracteristicas computacionales del paquete CALIIE 2D del Instituto de Investigaciones Electricas (IIE), para calcular campos electromagneticos bidimensionales. La implantacion computacional del paquete se basa en los planteamientos electromagneticos y numericos antes publicados en esta serie.

  7. ROBOT3: a computer program to calculate the in-pile three-dimensional bowing of cylindrical fuel rods (AWBA Development Program)

    International Nuclear Information System (INIS)

    Kovscek, S.E.; Martin, S.E.

    1982-10-01

    ROBOT3 is a FORTRAN computer program which is used in conjunction with the CYGRO5 computer program to calculate the time-dependent inelastic bowing of a fuel rod using an incremental finite element method. The fuel rod is modeled as a viscoelastic beam whose material properties are derived as perturbations of the CYGRO5 axisymmetric model. Fuel rod supports are modeled as displacement, force, or spring-type nodal boundary conditions. The program input is described and a sample problem is given

  8. TRANGE: computer code to calculate the energy beam degradation in target stack; TRANGE: programa para calcular a degradacao de energia de particulas carregadas em alvos

    Energy Technology Data Exchange (ETDEWEB)

    Bellido, Luis F.

    1995-07-01

    A computer code to calculate the projectile energy degradation along a target stack was developed for an IBM or compatible personal microcomputer. A comparison of protons and deuterons bombarding uranium and aluminium targets was made. The results showed that the data obtained with TRANGE were in agreement with other computers code such as TRIM, EDP and also using Williamsom and Janni range and stopping power tables. TRANGE can be used for any charged particle ion, for energies between 1 to 100 MeV, in metal foils and solid compounds targets. (author). 8 refs., 2 tabs.

  9. Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Interim Revision, March 1976

    Science.gov (United States)

    Gordon, S.; Mcbride, B. J.

    1976-01-01

    A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.

  10. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, M., E-mail: ribeiro.jr@oorbit.com.br [Office of Operational Research for Business Intelligence and Technology, Principal Office, Buffalo, Wyoming 82834 (United States)

    2015-06-21

    Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost.

  11. ACDOS1: a computer code to calculate dose rates from neutron activation of neutral beamlines and other fusion-reactor components

    International Nuclear Information System (INIS)

    Keney, G.S.

    1981-08-01

    A computer code has been written to calculate neutron induced activation of neutral-beam injector components and the corresponding dose rates as a function of geometry, component composition, and time after shutdown. The code, ACDOS1, was written in FORTRAN IV to calculate both activity and dose rates for up to 30 target nuclides and 50 neutron groups. Sufficient versatility has also been incorporated into the code to make it applicable to a variety of general activation problems due to neutrons of energy less than 20 MeV

  12. GAMMA-CLOUD: a computer code for calculating gamma-exposure due to a radioactive cloud released from a point source

    Energy Technology Data Exchange (ETDEWEB)

    Sugimoto, O [Chugoku Electric Power Co. Inc., Hiroshima (Japan); Sawaguchi, Y; Kaneko, M

    1979-03-01

    A computer code, designated GAMMA-CLOUD, has been developed by specialists of electric power companies to meet requests from the companies to have a unified means of calculating annual external doses from routine releases of radioactive gaseous effluents from nuclear power plants, based on the Japan Atomic Energy Commission's guides for environmental dose evaluation. GAMMA-CLOUD is written in FORTRAN language and its required capacity is less than 100 kilobytes. The average ..gamma..-exposure at an observation point can be calculated within a few minutes with comparable precision to other existing codes.

  13. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort

    International Nuclear Information System (INIS)

    Ribeiro, M.

    2015-01-01

    Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost

  14. TRIGLAV-W a Windows computer program package with graphical users interface for TRIGA reactor core management calculations

    International Nuclear Information System (INIS)

    Zagar, T.; Zefran, B.; Slavic, S.; Snoj, L.; Ravnik, M.

    2006-01-01

    TRIGLAV-W is a program package for reactor calculations of TRIGA Mark II research reactor cores. This program package runs under Microsoft Windows operating system and has new friendly graphical user interface (GUI). The main part of the package is the TRIGLAV code based on two dimensional diffusion approximation for flux distribution calculation. The new GUI helps the user to prepare the input files, runs the main code and displays the output files. TRIGLAV-W has a user friendly GUI also for the visualisation of the calculation results. Calculation results can be visualised using 2D and 3D coloured graphs for easy presentations and analysis. In the paper the many options of the new GUI are presented along with the results of extensive testing of the program. The results of the TRIGLAV-W program package were compared with the results of WIMS-D and MCNP code for calculations of TRIGA benchmark. TRIGLAV-W program was also tested using several libraries developed under IAEA WIMS-D Library Update Project. Additional literature and application form for TRIGLAV-W program package beta testing can be found at http://www.rcp.ijs.si/triglav/. (author)

  15. A Computational Model for Real-Time Calculation of Electric Field due to Transcranial Magnetic Stimulation in Clinics

    Directory of Open Access Journals (Sweden)

    Alessandra Paffi

    2015-01-01

    Full Text Available The aim of this paper is to propose an approach for an accurate and fast (real-time computation of the electric field induced inside the whole brain volume during a transcranial magnetic stimulation (TMS procedure. The numerical solution implements the admittance method for a discretized realistic brain model derived from Magnetic Resonance Imaging (MRI. Results are in a good agreement with those obtained using commercial codes and require much less computational time. An integration of the developed code with neuronavigation tools will permit real-time evaluation of the stimulated brain regions during the TMS delivery, thus improving the efficacy of clinical applications.

  16. Development of a computer program for calculation of flow velocity in the borehole and hydraulic conductivity of the formation

    International Nuclear Information System (INIS)

    Andersen, L.J.

    1983-05-01

    During the investigation of the Mors salt dome, a site considered as a possible repository for Danish high level radioactive wastes, a new method for testing low-permeable formations - The Labelled Slug Test -was developed. The large amount of data obtained during this test makes manual evaluation both difficult and time consuming. Principles of computerized procedure for the evaluation of the results are given and problems arising during calculation are discussed. Spinner flowmeter data is normally used to give a qualitative estimate of permeability distribution. Formulas and procedures are proposed which make direct calculations of permeability from spinner readings possible

  17. ERWIN2: User's manual for a computer model to calculate the economic efficiency of wind energy systems

    International Nuclear Information System (INIS)

    Van Wees, F.G.H.

    1992-01-01

    During the last few years the Business Unit ESC-Energy Studies of the Netherlands Energy Research Foundation (ECN) developed calculation programs to determine the economic efficiency of energy technologies, which programs support several studies for the Dutch Ministry of Economic Affairs. All these programs form the so-called BRET programs. One of these programs is ERWIN (Economische Rentabiliteit WINdenergiesystemen or in English: Economic Efficiency of Wind Energy Systems) of which an updated manual (ERWIN2) is presented in this report. An outline is given of the possibilities and limitations to carry out calculations with the model

  18. On the kinetics of the aluminum-water reaction during exposure in high-heat flux test loops: 1, A computer program for oxidation calculations

    International Nuclear Information System (INIS)

    Pawel, R.E.

    1988-01-01

    The ''Griess Correlation,'' in which the thickness of the corrosion product on aluminum alloy surfaces is expressed as a function of time and temperature for high-flux-reactor conditions, was rewritten in the form of a simple, general rate equation. Based on this equation, a computer program that calculates oxide-layer thickness for any given time-temperature transient was written. 4 refs

  19. Methods and experimental coefficients used in the computation of reactor shielding; Methodes et coefficients experimentaux pour le calcul des protections de reacteurs

    Energy Technology Data Exchange (ETDEWEB)

    Bourgeois, J; Lafore, P; Millot, J P; Rastoin, J; Vathaire, F de [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    1) The concept of an effective removal cross section has been developed in order more easily to compute reactor shielding thicknesses. We have built an experimental facility for the purpose of measuring effective removal cross sections, the value of which had not been published at that time. The first part of this paper describes the device or facility used, the computation method applied, and the results obtained. 2) Starting from this concept, we endeavoured to define a removal cross section as a function of energy. This enabled us to use the method for computations bearing on the attenuation of fast neutrons of any spectrum. An experimental verification was carried out for the case of fission neutrons filtered by a substantial thickness of graphite. 3) Finally, we outline a computation method enabling us to determine the sources of captured gamma rays by the age theory and we give an example of the application in a composite shield. (author) [French] 1) La notion de section efficace effective de deplacement a ete introduite pour calculer commodement les epaisseurs de protection des reacteurs. Nous avons construit un dispositif experimental destine a mesurer les sections efficaces effectives de deplacement dont la valeur n'avait pas ete publiee a cette epoque. La premiere partie de cette communication decrit le dispositif utilise, la methode de calcul employee et les resultats obtenus. 2) A partir de cette notion, nous avons essaye de definir une section efficace de deplacement fonction de l'energie. Ceci permet d'utiliser la methode du deplacement pour des calculs d'attenuation de neutrons rapides dont le spectre est quelconque. Une verification experimentale a ete faite dans le cas de neutrons de fission filtres par une epaisseur notable de graphite. 3) Enfin une methode de calcul permettant de determiner les sources de gamma de capture par la theorie de l'age est exposee et un exemple d'application donne dans une protection composite. (auteur)

  20. Methods and experimental coefficients used in the computation of reactor shielding; Methodes et coefficients experimentaux pour le calcul des protections de reacteurs

    Energy Technology Data Exchange (ETDEWEB)

    Bourgeois, J; Lafore, P; Millot, J P; Rastoin, J; Vathaire, F de [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1958-07-01

    1. The concept of an effective removal cross section has been developed in order more easily to compute reactor shielding thicknesses. We have built an experimental facility for the purpose of measuring effective removal cross sections, the value of which had not been published at that time. The first part of this paper describes the device or facility used, the computation method applied, and the results obtained. 2. Starting from this concept, we endeavored to define a removal cross section as a function of energy. This enabled us to use the method for computations bearing on the attenuation of fast neutrons of any spectrum. An experimental verification was carried out for the case of fission neutrons filtered by a substantial thickness of graphite. 3. Finally, we outline a computation method enabling us to determine the sources of captured gamma rays by the age theory and we give an example of the application in a composite shield. (author)Fren. [French] 1. La notion de section efficace effective de deplacement a ete introduite pour calculer commodement les epaisseurs de protection des reacteurs. Nous avons construit un dispositif experimental destine a mesurer les sections efficaces effectives de deplacement dont la valeur n'avait pas ete publiee a cette epoque. La premiere partie de cette communication decrit le dispositif utilise, la methode de calcul employee et les resultats obtenus. 2. A partir de cette notion, nous avons essaye de definir une section efficace de deplacement fonction de l'energie. Ceci permet d'utiliser la methode du deplacement pour des calculs d'attenuation de neutrons rapides dont le spectre est quelconque. Une verification experimentale a ete faite dans le cas de neutrons de fission filtres par une epaisseur notable de graphite. 3. Enfin une mde de calcul permettant de determiner les sources de gamma de capture par la theorie de l'age est exposee et un exemple d'application donne dans une protection composite. (auteur)

  1. Computer-aided design system for a complex of problems on calculation and analysis of engineering and economical indexes of NPP power units

    International Nuclear Information System (INIS)

    Stepanov, V.I.; Koryagin, A.V.; Ruzankov, V.N.

    1988-01-01

    Computer-aided design system for a complex of problems concerning calculation and analysis of engineering and economical indices of NPP power units is described. In the system there are means for automated preparation and debugging of data base software complex, which realizes th plotted algorithm in the power unit control system. Besides, in the system there are devices for automated preparation and registration of technical documentation

  2. Assessment of effectiveness of geologic isolation systems. ARRRG and FOOD: computer programs for calculating radiation dose to man from radionuclides in the environment

    International Nuclear Information System (INIS)

    Napier, B.A.; Roswell, R.L.; Kennedy, W.E. Jr.; Strenge, D.L.

    1980-06-01

    The computer programs ARRRG and FOOD were written to facilitate the calculation of internal radiation doses to man from the radionuclides in the environment and external radiation doses from radionuclides in the environment. Using ARRRG, radiation doses to man may be calculated for radionuclides released to bodies of water from which people might obtain fish, other aquatic foods, or drinking water, and in which they might fish, swim or boat. With the FOOD program, radiation doses to man may be calculated from deposition on farm or garden soil and crops during either an atmospheric or water release of radionuclides. Deposition may be either directly from the air or from irrigation water. Fifteen crop or animal product pathways may be chosen. ARRAG and FOOD doses may be calculated for either a maximum-exposed individual or for a population group. Doses calculated are a one-year dose and a committed dose from one year of exposure. The exposure is usually considered as chronic; however, equations are included to calculate dose and dose commitment from acute (one-time) exposure. The equations for calculating internal dose and dose commitment are derived from those given by the International Commission on Radiological Protection (ICRP) for body burdens and Maximum Permissible Concentration (MPC) of each radionuclide. The radiation doses from external exposure to contaminated farm fields or shorelines are calculated assuming an infinite flat plane source of radionuclides. A factor of two is included for surface roughness. A modifying factor to compensate for finite extent is included in the shoreline calculations

  3. Assessment of effectiveness of geologic isolation systems. ARRRG and FOOD: computer programs for calculating radiation dose to man from radionuclides in the environment

    Energy Technology Data Exchange (ETDEWEB)

    Napier, B.A.; Roswell, R.L.; Kennedy, W.E. Jr.; Strenge, D.L.

    1980-06-01

    The computer programs ARRRG and FOOD were written to facilitate the calculation of internal radiation doses to man from the radionuclides in the environment and external radiation doses from radionuclides in the environment. Using ARRRG, radiation doses to man may be calculated for radionuclides released to bodies of water from which people might obtain fish, other aquatic foods, or drinking water, and in which they might fish, swim or boat. With the FOOD program, radiation doses to man may be calculated from deposition on farm or garden soil and crops during either an atmospheric or water release of radionuclides. Deposition may be either directly from the air or from irrigation water. Fifteen crop or animal product pathways may be chosen. ARRAG and FOOD doses may be calculated for either a maximum-exposed individual or for a population group. Doses calculated are a one-year dose and a committed dose from one year of exposure. The exposure is usually considered as chronic; however, equations are included to calculate dose and dose commitment from acute (one-time) exposure. The equations for calculating internal dose and dose commitment are derived from those given by the International Commission on Radiological Protection (ICRP) for body burdens and Maximum Permissible Concentration (MPC) of each radionuclide. The radiation doses from external exposure to contaminated farm fields or shorelines are calculated assuming an infinite flat plane source of radionuclides. A factor of two is included for surface roughness. A modifying factor to compensate for finite extent is included in the shoreline calculations.

  4. Investigation of an inventory calculation model for a solvent extraction system and the development of its computer programme - SEPHIS-J

    International Nuclear Information System (INIS)

    Ihara, Hitoshi; Nishimura, Hideo; Ikawa, Koji; Ido, Masaru.

    1986-11-01

    In order to improve the applicability of near-real-time materials accountancy (N.R.T.MA) to a reprocessing plant, it is necessary to develop an estimation method for the nuclear material inventory at a solvent extraction system under operation. For designing the solvent extraction system, such computer codes as SEPHIS, SOLVEX and TRANSIENTS had been used. Accuracy of these codes in tracing operations and predicting inventories in the extraction system had been discussed. Then, much better codes, e.g., SEPHIS Mod4 and PUBG, were developed. Unfortunately, SEPHIS Mod4 was not available in countries other than the USA and PUBG was not suitable for use with a mini-computer which would be practical as a field computer because of quite a lot of computing time needed. The authors investigated an inventory estimation model compatible with PUBG in functions and developed the corresponding computer programme, SEPHIS-J, based on the SEPHIS Mod3 code, resulting in a third of computing time compared with PUBG. They also validated the programme by calculating a static state as well as a dynamic one of the solvent extraction process and by comparing them among the programme, SEPHIS Mod3 and PUBG. Using the programme, it was shown that the inventory changes due to changes of feed flow and concentration were not so small that they might be neglected although the changes of feed flow and concentration were within measurement errors. (author)

  5. A guide to TIRION 4 - a computer code for calculating the consequences of releasing radioactive material to the atmosphere

    International Nuclear Information System (INIS)

    Fryer, L.S.

    1978-12-01

    TIRION 4 is the most recent program in a series designed to calculate the consequences of releasing radioactive material to the atmosphere. A brief description of the models used in the program and full details of the various control cards necessary to run TIRION 4 are given. (author)

  6. Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library.

    Science.gov (United States)

    Mohr, Stephan; Dawson, William; Wagner, Michael; Caliste, Damien; Nakajima, Takahito; Genovese, Luigi

    2017-10-10

    We present CheSS, the "Chebyshev Sparse Solvers" library, which has been designed to solve typical problems arising in large-scale electronic structure calculations using localized basis sets. The library is based on a flexible and efficient expansion in terms of Chebyshev polynomials and presently features the calculation of the density matrix, the calculation of matrix powers for arbitrary powers, and the extraction of eigenvalues in a selected interval. CheSS is able to exploit the sparsity of the matrices and scales linearly with respect to the number of nonzero entries, making it well-suited for large-scale calculations. The approach is particularly adapted for setups leading to small spectral widths of the involved matrices and outperforms alternative methods in this regime. By coupling CheSS to the DFT code BigDFT, we show that such a favorable setup is indeed possible in practice. In addition, the approach based on Chebyshev polynomials can be massively parallelized, and CheSS exhibits excellent scaling up to thousands of cores even for relatively small matrix sizes.

  7. Improvement of the bubble rise velocity model in the pressurizer using ALMOD 3 computer code to calculate evaporation

    International Nuclear Information System (INIS)

    Madeira, A.A.

    1985-01-01

    It's studied the improvement for the calculation of bubble rise velocity, by adding two different ways to estimate this velocity, one of which more adequate to pressures normally found in the Reactor Cooling System. Additionally, a limitation in bubble rise velocity growth was imposed, to account for the actual behavior of bubble rise in two-phase mixtures. (Author) [pt

  8. A computer code for calculation of radioactive nuclide generation and depletion, decay heat and γ ray spectrum. FPGS90

    International Nuclear Information System (INIS)

    Ihara, Hitoshi; Katakura, Jun-ichi; Nakagawa, Tsuneo

    1995-11-01

    In a nuclear reactor radioactive nuclides are generated and depleted with burning up of nuclear fuel. The radioactive nuclides, emitting γ ray and β ray, play role of radioactive source of decay heat in a reactor and radiation exposure. In safety evaluation of nuclear reactor and nuclear fuel cycle, it is needed to estimate the number of nuclides generated in nuclear fuel under various burn-up condition of many kinds of nuclear fuel used in a nuclear reactor. FPGS90 is a code calculating the number of nuclides, decay heat and spectrum of emitted γ ray from fission products produced in a nuclear fuel under the various kinds of burn-up condition. The nuclear data library used in FPGS90 code is the library 'JNDC Nuclear Data Library of Fission Products - second version -', which is compiled by working group of Japanese Nuclear Data Committee for evaluating decay heat in a reactor. The code has a function of processing a so-called evaluated nuclear data file such as ENDF/B, JENDL, ENSDF and so on. It also has a function of making figures of calculated results. Using FPGS90 code it is possible to do all works from making library, calculating nuclide generation and decay heat through making figures of the calculated results. (author)

  9. A computer code for calculation of radioactive nuclide generation and depletion, decay heat and {gamma} ray spectrum. FPGS90

    Energy Technology Data Exchange (ETDEWEB)

    Ihara, Hitoshi; Katakura, Jun-ichi; Nakagawa, Tsuneo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1995-11-01

    In a nuclear reactor radioactive nuclides are generated and depleted with burning up of nuclear fuel. The radioactive nuclides, emitting {gamma} ray and {beta} ray, play role of radioactive source of decay heat in a reactor and radiation exposure. In safety evaluation of nuclear reactor and nuclear fuel cycle, it is needed to estimate the number of nuclides generated in nuclear fuel under various burn-up condition of many kinds of nuclear fuel used in a nuclear reactor. FPGS90 is a code calculating the number of nuclides, decay heat and spectrum of emitted {gamma} ray from fission products produced in a nuclear fuel under the various kinds of burn-up condition. The nuclear data library used in FPGS90 code is the library `JNDC Nuclear Data Library of Fission Products - second version -`, which is compiled by working group of Japanese Nuclear Data Committee for evaluating decay heat in a reactor. The code has a function of processing a so-called evaluated nuclear data file such as ENDF/B, JENDL, ENSDF and so on. It also has a function of making figures of calculated results. Using FPGS90 code it is possible to do all works from making library, calculating nuclide generation and decay heat through making figures of the calculated results. (author).

  10. LEAF: a computer program to calculate fission product release from a reactor containment building for arbitrary radioactive decay chains

    International Nuclear Information System (INIS)

    Lee, C.E.; Apperson, C.E. Jr.; Foley, J.E.

    1976-10-01

    The report describes an analytic containment building model that is used for calculating the leakage into the environment of each isotope of an arbitrary radioactive decay chain. The model accounts for the source, the buildup, the decay, the cleanup, and the leakage of isotopes that are gas-borne inside the containment building

  11. Computational modeling of the mathematical phantoms of the Brazilian woman to internal dosimetry calculations and for comparison of the absorbed fractions with specific reference women

    International Nuclear Information System (INIS)

    Ximenes, Edmir; Guimaraes, Maria Ines C. C.

    2008-01-01

    The theme of this work is the study of the concept of mathematical dummy - also called phantoms - used in internal dosimetry and radiation protection, from the perspective of computer simulations. In this work he developed the mathematical phantom of the Brazilian woman, to be used as the basis of calculations of Specific Absorbed Fractions (AEDs) in the body's organs and skeleton by virtue of goals with regarding the diagnosis or therapy in nuclear medicine. The phantom now developed is similar, in form, to Snyder phantom making it more realistic for the anthropomorphic conditions of Brazilian women. For so we used the Monte Carlo method of formalism, through computer modeling. As a contribution to the objectives of this study, it was developed and implemented the computer system cFAE - consultation Fraction Specific Absorbed, which makes it versatile for the user's query researcher

  12. A users manual for a computer program which calculates time optical geocentric transfers using solar or nuclear electric and high thrust propulsion

    Science.gov (United States)

    Sackett, L. L.; Edelbaum, T. N.; Malchow, H. L.

    1974-01-01

    This manual is a guide for using a computer program which calculates time optimal trajectories for high-and low-thrust geocentric transfers. Either SEP or NEP may be assumed and a one or two impulse, fixed total delta V, initial high thrust phase may be included. Also a single impulse of specified delta V may be included after the low thrust state. The low thrust phase utilizes equinoctial orbital elements to avoid the classical singularities and Kryloff-Boguliuboff averaging to help insure more rapid computation time. The program is written in FORTRAN 4 in double precision for use on an IBM 360 computer. The manual includes a description of the problem treated, input/output information, examples of runs, and source code listings.

  13. FRAPCON-3: A computer code for the calculation of steady-state, thermal-mechanical behavior of oxide fuel rods for high burnup

    International Nuclear Information System (INIS)

    Berna, G.A.; Beyer, G.A.; Davis, K.L.; Lanning, D.D.

    1997-12-01

    FRAPCON-3 is a FORTRAN IV computer code that calculates the steady-state response of light water reactor fuel rods during long-term burnup. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include (1) heat conduction through the fuel and cladding, (2) cladding elastic and plastic deformation, (3) fuel-cladding mechanical interaction, (4) fission gas release, (5) fuel rod internal gas pressure, (6) heat transfer between fuel and cladding, (7) cladding oxidation, and (8) heat transfer from cladding to coolant. The code contains necessary material properties, water properties, and heat-transfer correlations. The codes' integral predictions of mechanical behavior have not been assessed against a data base, e.g., cladding strain or failure data. Therefore, it is recommended that the code not be used for analyses of cladding stress or strain. FRAPCON-3 is programmed for use on both mainframe computers and UNIX-based workstations such as DEC 5000 or SUN Sparcstation 10. It is also programmed for personal computers with FORTRAN compiler software and at least 8 to 10 megabytes of random access memory (RAM). The FRAPCON-3 code is designed to generate initial conditions for transient fuel rod analysis by the FRAPTRAN computer code (formerly named FRAP-T6)

  14. A computer code for the prediction of mill gases and hot air distribution between burners sections as input parameters for 3D CFD furnace calculation

    International Nuclear Information System (INIS)

    Tucakovic, Dragan; Zivanovic, Titoslav; Beloshevic, Srdjan

    2006-01-01

    Current computer technology development enables application of powerful software packages that can provide a reliable insight into real operating conditions of a steam boiler in the Thermal Power Plant. Namely, an application of CFD code to the 3D analysis of combustion and heat transfer in a furnace provides temperature, velocity and concentration fields in both cross sectional and longitudinal planes of the observed furnace. In order to obtain reliable analytical results, which corresponds to real furnace conditions, it is necessary to accurately predict a distribution of mill gases and hot air between burners' sections, because these parameters are input values for the furnace 3D calculation. Regarding these tasks, the computer code for the prediction of mill gases and hot air distribution has been developed at the Department for steam boilers of the Faculty of Mechanical Engineering in Belgrade. The code is based on simultaneous calculations of material and heat balances for fan mill and air tracts. The aim of this paper is to present a methodology of performed calculations and results obtained for the steam boiler furnace of 350 MWe Thermal Power Plant equipped with eight fan mills. Key words: mill gases, hot air, aerodynamic calculation, air tract, mill tract.

  15. GASCON and MHDGAS: FORTRAN IV computer codes for calculating gas and condensed-phase compositions in the coal-fired open-cycle MHD system

    Energy Technology Data Exchange (ETDEWEB)

    Blackburn, P E

    1977-12-01

    Fortran IV computer codes have been written to calculate the equilibrium partial pressures of the gaseous phase and the quantity and composition of the condensed phases in the open-cycle MHD system. The codes are based on temperature-dependent equilibrium constants, mass conservation, the mass action law, and assumed ideal solution of compounds in each of two condensed phases. It is assumed that the phases are an oxide-silicate phase and a sulfate-carbonate-hydroxide phase. Calculations are iterated for gas and condensate concentrations while increasing or decreasing the total moles of elements, but keeping mole ratios constant, to achieve the desired total pressure. During iteration the oxygen partial pressure is incrementally changed. The decision to increase or decrease the oxygen pressure in this process depends on comparison of the oxygen content calculated in the gas and condensate phases with the initial amount of oxygen in the ash, coal, seed, and air. This process, together with a normalization step, allows the elements to converge to their initial quantities. Two versions of the computer code have been written. GASCON calculates the equilibrium gas partial pressures and the quantity and composition of the condensed phases in steps of thirteen temperature and pressure combinations in which the condensate is removed after each step, simulating continuous slag removal from the MHD system. MHDGAS retains the condensate for each step, simulating flow of condensate (and gas) through the MHD system.

  16. Development of a computer code for neutronic calculations of a hexagonal lattice of nuclear reactor using the flux expansion nodal method

    Directory of Open Access Journals (Sweden)

    Mohammadnia Meysam

    2013-01-01

    Full Text Available The flux expansion nodal method is a suitable method for considering nodalization effects in node corners. In this paper we used this method to solve the intra-nodal flux analytically. Then, a computer code, named MA.CODE, was developed using the C# programming language. The code is capable of reactor core calculations for hexagonal geometries in two energy groups and three dimensions. The MA.CODE imports two group constants from the WIMS code and calculates the effective multiplication factor, thermal and fast neutron flux in three dimensions, power density, reactivity, and the power peaking factor of each fuel assembly. Some of the code's merits are low calculation time and a user friendly interface. MA.CODE results showed good agreement with IAEA benchmarks, i. e. AER-FCM-101 and AER-FCM-001.

  17. SU-E-T-531: Performance Evaluation of Multithreaded Geant4 for Proton Therapy Dose Calculations in a High Performance Computing Facility

    International Nuclear Information System (INIS)

    Shin, J; Coss, D; McMurry, J; Farr, J; Faddegon, B

    2014-01-01

    Purpose: To evaluate the efficiency of multithreaded Geant4 (Geant4-MT, version 10.0) for proton Monte Carlo dose calculations using a high performance computing facility. Methods: Geant4-MT was used to calculate 3D dose distributions in 1×1×1 mm3 voxels in a water phantom and patient's head with a 150 MeV proton beam covering approximately 5×5 cm2 in the water phantom. Three timestamps were measured on the fly to separately analyze the required time for initialization (which cannot be parallelized), processing time of individual threads, and completion time. Scalability of averaged processing time per thread was calculated as a function of thread number (1, 100, 150, and 200) for both 1M and 50 M histories. The total memory usage was recorded. Results: Simulations with 50 M histories were fastest with 100 threads, taking approximately 1.3 hours and 6 hours for the water phantom and the CT data, respectively with better than 1.0 % statistical uncertainty. The calculations show 1/N scalability in the event loops for both cases. The gains from parallel calculations started to decrease with 150 threads. The memory usage increases linearly with number of threads. No critical failures were observed during the simulations. Conclusion: Multithreading in Geant4-MT decreased simulation time in proton dose distribution calculations by a factor of 64 and 54 at a near optimal 100 threads for water phantom and patient's data respectively. Further simulations will be done to determine the efficiency at the optimal thread number. Considering the trend of computer architecture development, utilizing Geant4-MT for radiotherapy simulations is an excellent cost-effective alternative for a distributed batch queuing system. However, because the scalability depends highly on simulation details, i.e., the ratio of the processing time of one event versus waiting time to access for the shared event queue, a performance evaluation as described is recommended

  18. Organization of the M-6000 computer calculating process in the CAMAC on-line measurement systems for a physical experiment

    International Nuclear Information System (INIS)

    Bespalova, T.V.; Volkov, A.S.; Golutvin, I.A.; Maslov, V.V.; Nevskaya, N.A.; Okonishnikov, A.A.; Terekhov, V.E.; Shilkin, I.P.

    1977-01-01

    Discussed are the basic results of the work on designing the software of the computer measuring complex (CMC) which uses the M-6000 computer and operates on line with an accelerator. All the CMC units comply with the CAMAC standard. The CMC incorporates a mainframe memory, twenty-four kilobytes of 16-digit words in size, and external memory on magnetic disks, 1 megabyte in size. Suggested is a modification of the technique for designing the CMC software providing for program complexes which are dynamically adjusted by an experimentalist for the given experiment for a short time. The CMC software comprises the following major portions: a software generator, data acquisition program, on-line data processing routines, off-line data processing programs and programs for data recording on magnetic tapes and disks. Testing of the designed CMC has revealed that the total data processing time equals to from 150 to 500 ms

  19. Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations

    DEFF Research Database (Denmark)

    Poongavanam, Vasanthanathan; Olsen, Lars; Jørgensen, Flemming Steen

    2010-01-01

    , and methods based on statistical mechanics. In the present investigation, we started from an LIE model to predict the binding free energy of structurally diverse compounds of cytochrome P450 1A2 ligands, one of the important human metabolizing isoforms of the cytochrome P450 family. The data set includes both...... substrates and inhibitors. It appears that the electrostatic contribution to the binding free energy becomes negligible in this particular protein and a simple empirical model was derived, based on a training set of eight compounds. The root mean square error for the training set was 3.7 kJ/mol. Subsequent......Predicting binding affinities for receptor-ligand complexes is still one of the challenging processes in computational structure-based ligand design. Many computational methods have been developed to achieve this goal, such as docking and scoring methods, the linear interaction energy (LIE) method...

  20. ARDISC (Argonne Dispersion Code): computer programs to calculate the distribution of trace element migration in partially equilibrating media

    International Nuclear Information System (INIS)

    Strickert, R.; Friedman, A.M.; Fried, S.

    1979-04-01

    A computer program (ARDISC, the Argonne Dispersion Code) is described which simulates the migration of nuclides in porous media and includes first order kinetic effects on the retention constants. The code allows for different absorption and desorption rates and solves the coupled migration equations by arithmetic reiterations. Input data needed are the absorption and desorption rates, equilibrium surface absorption coefficients, flow rates and volumes, and media porosities

  1. RAGRAF: a computer code for calculating temperature distributions in multi-pin fuel assemblies in a stagnant gas atmosphere

    International Nuclear Information System (INIS)

    Eastham, A.

    1979-02-01

    A method of calculating the temperature distribution in a cross-section of a multi-pin nuclear reactor fuel assembly has been computerised. It utilises the thermal radiation interchange between individual fuel pins in either a square or triangular pitched lattice. A stagnant gas atmosphere within the fuel assembly is assumed which inhibits natural convection but permits thermal conduction between adjacent fuel pins. no restriction is placed upon the shape of wrapper used, but its temperature must always be uniform. RAGRAF has great flexibility because of the many options it provides. Although, essentially, it is a transient code, steady state solutions may be readily identified from successive temperature prints. An enclosure for the assembly wrapper is available, to be included or discarded at will during transient calculations. outside the limit of the assembly wrapper, any type or combination of heat transfer mode may be included. Transient variations in boundary temperature may be included if required. (author)

  2. Calculation of conversion coefficients of dose of a computational anthropomorphic simulator sit exposed to a plane source

    International Nuclear Information System (INIS)

    Santos, William S.; Carvalho Junior, Alberico B. de; Pereira, Ariana J.S.; Santos, Marcos S.; Maia, Ana F.

    2011-01-01

    In this paper conversion coefficients (CCs) of equivalent dose and effective in terms of kerma in the air were calculated suggested by the ICRP 74. These dose coefficients were calculated considering a plane radiation source and monoenergetic for a spectrum of energy varying from 10 keV to 2 MeV. The CCs were obtained for four geometries of irradiation, anterior-posterior, posterior-anterior, lateral right side and lateral left side. It was used the radiation transport code Visual Monte Carlo (VMC), and a anthropomorphic simulator of sit female voxel. The observed differences in the found values for the CCs at the four irradiation sceneries are direct results of the body organs disposition, and the distance of these organs to the irradiation source. The obtained CCs will be used for estimative more precise of dose in situations that the exposed individual be sit, as the normally the CCs available in the literature were calculated by using simulators always lying or on their feet

  3. A computer program for calculation of parameters necessary for the computation of reliable pair distribution functions of non-crystalline materials from limited diffraction data. II

    International Nuclear Information System (INIS)

    Hansen, F.Y.

    1978-01-01

    The pair distribution function of non-crystalline materials may be obtained by a Fourier transform of the structure factor as calculated in part I of this series. The structure factor is often limited in the sense that it shows significant oscillations at the maximal wave vector transfers obtainable. The Fourier transform of such functions, therefore, introduces truncation errors in the transformed function. With this program a parametrization of the small distance part of the pair distribution function is obtained according to a method described which enables one to eliminate truncation error from the final pair distribution function. It is based on a least squares fit calculation of the small distance part of the pair distribution function obtained by a direct transform of the experimental structure factor and a model pair distribution function obtained from a model structure factor truncated at the same wave vector transfers as the experimental factor. The storage requirement depends on the number of structure factor data and the number of peaks used to resolve the small distance part of the pair distribution function. In the present set-up storage requirement is set to 15083 words, which is estimated to be satisfactory for a large number of cases. (Auth.)

  4. Evaluation of Flood Level under Main Feedwater Line Break Accident using GOTHIC Computer Code and Analytical Calculation by ANSI 56.11

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Keon Yeop; Park, Jae Won; Jeon, Woo Jae [FNC Technology Co., Yongin (Korea, Republic of)

    2016-10-15

    The design basis internal flooding is caused by postulated pipe ruptures or component failures. The flooding can cause failure of safety-related equipment and affect the integrity of the structure. Though large diameter pipe rupture is significant in flooding analysis, split breaks should also be considered with consideration of a spectrum of pipe break size and power level. The pipe rupture analysis should be based on the most severe single active failure. For enveloping spectrum of pipe break condition, flood relief paths are necessary and passive flood protection without operating action, basically, shall be applied. In this study, the evaluation of flood level in case of Main Feedwater Line Break (MFLB) was performed by using GOTHIC computer program and hand calculation. The flooding analyses were performed by hand calculation and GOTHIC analysis for an assumed MFLB condition. The calculated flood levels were 0.823m and 0.691m for hand calculation and GOTHIC analysis, respectively. In comparison to the GOTHIC analysis, hand calculation showed conservative results. However, in actual flood protection design, margin for uncertainty shall be considered, in order to reflect the outflow reducing effect due to vortex and intake of air.

  5. Validation of Computational Fluid Dynamics Calculation Using Rossendorf Coolant Mixing Model Flow Measurements in Primary Loop of Coolant in a Pressurized Water Reactor Model

    Directory of Open Access Journals (Sweden)

    Istvan Farkas

    2016-08-01

    Full Text Available The aim of this work is to simulate the thermohydraulic consequences of a main steam line break and to compare the obtained results with Rossendorf Coolant Mixing Model (ROCOM 1.1 experimental results. The objective is to utilize data from steady-state mixing experiments and computational fluid dynamics (CFD calculations to determine the flow distribution and the effect of thermal mixing phenomena in the primary loops for the improvement of normal operation conditions and structural integrity assessment of pressurized water reactors. The numerical model of ROCOM was developed using the FLUENT code. The positions of the inlet and outlet boundary conditions and the distribution of detailed velocity/turbulence parameters were determined by preliminary calculations. The temperature fields of transient calculation were averaged in time and compared with time-averaged experimental data. The perforated barrel under the core inlet homogenizes the flow, and therefore, a uniform temperature distribution is formed in the pressure vessel bottom. The calculated and measured values of lowest temperature were equal. The inlet temperature is an essential parameter for safety assessment. The calculation predicts precisely the experimental results at the core inlet central region. CFD results showed a good agreement (both qualitatively and quantitatively with experimental results.

  6. Verification of computer code for calculation of coolant radiolysis in the VVER reactor core with regard for boiling in its upper part

    Energy Technology Data Exchange (ETDEWEB)

    Arkhipov, O.P.; Kabakchi, S.A. [OKB Gidropress, Podolsk, Moscow (Russian Federation)

    2010-07-01

    Code Bora for WWER coolant radiolysis calculation considering single jets boiling in the reactor core top part is developed on the basis of computer codes MOPABA-H2 (radiolysis of aqueous solutions) and SteamRad (radiolysis of vapor). Physico-chemical processes taking place in boiling core coolant are complex and diversified. Still, for the solution of certain problems their simulation can be simplified. The approach of reasonable simplification was used for development of code Bora: mathematical model assumed is purposed for simulation of phenomena only in the area of interest; the number of simulated chemical reactions and particles shall be reasonably minimum; complexity of interphase mass transfer calculation procedure shall be adequate to actually available accuracy of modeling. The analysis of new experimental initial yields of water radiolysis products data and kinetic parameters of elementary chemical reactions with their participation has been carried out. Some changes have been introduced in the mechanism of liquid water and aqueous solutions of ammonia radiolysis have been significantly revised on the basis of this analysis. Examples of the calculations provided for code Bora verification are presented. Despite of very simple simulation of interphase mass transfer, Bora allows to obtain average chemical composition of two-phase coolant at BWR core outlet with the accuracy sufficient for engineering calculations. The report also presents the results of two-phase coolant chemical composition test calculation for reactor core top part coolant boiling in pressurized water reactor. (author)

  7. Evaluation of Flood Level under Main Feedwater Line Break Accident using GOTHIC Computer Code and Analytical Calculation by ANSI 56.11

    International Nuclear Information System (INIS)

    Kim, Keon Yeop; Park, Jae Won; Jeon, Woo Jae

    2016-01-01

    The design basis internal flooding is caused by postulated pipe ruptures or component failures. The flooding can cause failure of safety-related equipment and affect the integrity of the structure. Though large diameter pipe rupture is significant in flooding analysis, split breaks should also be considered with consideration of a spectrum of pipe break size and power level. The pipe rupture analysis should be based on the most severe single active failure. For enveloping spectrum of pipe break condition, flood relief paths are necessary and passive flood protection without operating action, basically, shall be applied. In this study, the evaluation of flood level in case of Main Feedwater Line Break (MFLB) was performed by using GOTHIC computer program and hand calculation. The flooding analyses were performed by hand calculation and GOTHIC analysis for an assumed MFLB condition. The calculated flood levels were 0.823m and 0.691m for hand calculation and GOTHIC analysis, respectively. In comparison to the GOTHIC analysis, hand calculation showed conservative results. However, in actual flood protection design, margin for uncertainty shall be considered, in order to reflect the outflow reducing effect due to vortex and intake of air

  8. Computing the full spectrum of large sparse palindromic quadratic eigenvalue problems arising from surface Green's function calculations

    Science.gov (United States)

    Huang, Tsung-Ming; Lin, Wen-Wei; Tian, Heng; Chen, Guan-Hua

    2018-03-01

    Full spectrum of a large sparse ⊤-palindromic quadratic eigenvalue problem (⊤-PQEP) is considered arguably for the first time in this article. Such a problem is posed by calculation of surface Green's functions (SGFs) of mesoscopic transistors with a tremendous non-periodic cross-section. For this problem, general purpose eigensolvers are not efficient, nor is advisable to resort to the decimation method etc. to obtain the Wiener-Hopf factorization. After reviewing some rigorous understanding of SGF calculation from the perspective of ⊤-PQEP and nonlinear matrix equation, we present our new approach to this problem. In a nutshell, the unit disk where the spectrum of interest lies is broken down adaptively into pieces small enough that they each can be locally tackled by the generalized ⊤-skew-Hamiltonian implicitly restarted shift-and-invert Arnoldi (G⊤SHIRA) algorithm with suitable shifts and other parameters, and the eigenvalues missed by this divide-and-conquer strategy can be recovered thanks to the accurate estimation provided by our newly developed scheme. Notably the novel non-equivalence deflation is proposed to avoid as much as possible duplication of nearby known eigenvalues when a new shift of G⊤SHIRA is determined. We demonstrate our new approach by calculating the SGF of a realistic nanowire whose unit cell is described by a matrix of size 4000 × 4000 at the density functional tight binding level, corresponding to a 8 × 8nm2 cross-section. We believe that quantum transport simulation of realistic nano-devices in the mesoscopic regime will greatly benefit from this work.

  9. A Statistical Model and Computer program for Preliminary Calculations Related to the Scaling of Sensor Arrays; TOPICAL

    International Nuclear Information System (INIS)

    Max Morris

    2001-01-01

    Recent advances in sensor technology and engineering have made it possible to assemble many related sensors in a common array, often of small physical size. Sensor arrays may report an entire vector of measured values in each data collection cycle, typically one value per sensor per sampling time. The larger quantities of data provided by larger arrays certainly contain more information, however in some cases experience suggests that dramatic increases in array size do not always lead to corresponding improvements in the practical value of the data. The work leading to this report was motivated by the need to develop computational planning tools to approximate the relative effectiveness of arrays of different size (or scale) in a wide variety of contexts. The basis of the work is a statistical model of a generic sensor array. It includes features representing measurement error, both common to all sensors and independent from sensor to sensor, and the stochastic relationships between the quantities to be measured by the sensors. The model can be used to assess the effectiveness of hypothetical arrays in classifying objects or events from two classes. A computer program is presented for evaluating the misclassification rates which can be expected when arrays are calibrated using a given number of training samples, or the number of training samples required to attain a given level of classification accuracy. The program is also available via email from the first author for a limited time

  10. Development of a computational model for the calculation of neutron dose equivalent in laminated primary barriers of radiotherapy rooms

    International Nuclear Information System (INIS)

    Rezende, Gabriel Fonseca da Silva

    2015-01-01

    Many radiotherapy centers acquire 15 and 18 MV linear accelerators to perform more effective treatments for deep tumors. However, the acquisition of these equipment must be accompanied by an additional care in shielding planning of the rooms that will house them. In cases where space is restricted, it is common to find primary barriers made of concrete and metal. The drawback of this type of barrier is the photoneutron emission when high energy photons (e.g. 15 and 18 MV spectra) interact with the metallic material of the barrier. The emission of these particles constitutes a problem of radiation protection inside and outside of radiotherapy rooms, which should be properly assessed. A recent work has shown that the current model underestimate the dose of neutrons outside the treatment rooms. In this work, a computational model for the aforementioned problem was created from Monte Carlo Simulations and Artificial Intelligence. The developed model was composed by three neural networks, each being formed of a pair of material and spectrum: Pb18, Pb15 and Fe18. In a direct comparison with the McGinley method, the Pb18 network exhibited the best responses for approximately 78% of the cases tested; the Pb15 network showed better results for 100% of the tested cases, while the Fe18 network produced better answers to 94% of the tested cases. Thus, the computational model composed by the three networks has shown more consistent results than McGinley method. (author)

  11. Computational Calculation Of The Ionization Energies Of The Human Prion Protein By The Coarse-grain Method

    Science.gov (United States)

    Lyu, Justin; Andrianarijaona, V. M.

    2016-05-01

    The causes of the misfolding of prion protein -i.e. the transformation of PrPC to PrPSc - have not been clearly elucidated. Many studies have focused on identifying possible chemical conditions, such as pH, temperature and chemical denaturation, that may trigger the pathological transformation of prion proteins (Weiwei Tao, Gwonchan Yoon, Penghui Cao, `` β-sheet-like formation during the mechanical unfolding of prion protein'', The Journal of Chemical Physics, 2015, 143, 125101). Here, we attempt to calculate the ionization energies of the prion protein, which will be able to shed light onto the possible causes of the misfolding. We plan on using the coarse-grain method which allows for a more feasible calculation time by means of approximation. We believe that by being able to approximate the ionization potential, particularly that of the regions known to form stable β-strands of the PrPSc form, the possible sources of denaturation, be it chemical or mechanical, may be narrowed down.

  12. Simulations of the pipe overpack to compute constitutive model parameters for use in WIPP room closure calculations

    International Nuclear Information System (INIS)

    Park, Byoung Yoon; Hansen, Francis D.

    2004-01-01

    The regulatory compliance determination for the Waste Isolation Pilot Plant includes the consideration of room closure. Elements of the geomechanical processes include salt creep, gas generation and mechanical deformation of the waste residing in the rooms. The WIPP was certified as complying with regulatory requirements based in part on the implementation of room closure and material models for the waste. Since the WIPP began receiving waste in 1999, waste packages have been identified that are appreciably more robust than the 55-gallon drums characterized for the initial calculations. The pipe overpack comprises one such waste package. This report develops material model parameters for the pipe overpack containers by using axisymmetrical finite element models. Known material properties and structural dimensions allow well constrained models to be completed for uniaxial, triaxial, and hydrostatic compression of the pipe overpack waste package. These analyses show that the pipe overpack waste package is far more rigid than the originally certified drum. The model parameters developed in this report are used subsequently to evaluate the implications to performance assessment calculations

  13. SCHEMA computational design of virus capsid chimeras: calibrating how genome packaging, protection, and transduction correlate with calculated structural disruption.

    Science.gov (United States)

    Ho, Michelle L; Adler, Benjamin A; Torre, Michael L; Silberg, Jonathan J; Suh, Junghae

    2013-12-20

    Adeno-associated virus (AAV) recombination can result in chimeric capsid protein subunits whose ability to assemble into an oligomeric capsid, package a genome, and transduce cells depends on the inheritance of sequence from different AAV parents. To develop quantitative design principles for guiding site-directed recombination of AAV capsids, we have examined how capsid structural perturbations predicted by the SCHEMA algorithm correlate with experimental measurements of disruption in seventeen chimeric capsid proteins. In our small chimera population, created by recombining AAV serotypes 2 and 4, we found that protection of viral genomes and cellular transduction were inversely related to calculated disruption of the capsid structure. Interestingly, however, we did not observe a correlation between genome packaging and calculated structural disruption; a majority of the chimeric capsid proteins formed at least partially assembled capsids and more than half packaged genomes, including those with the highest SCHEMA disruption. These results suggest that the sequence space accessed by recombination of divergent AAV serotypes is rich in capsid chimeras that assemble into 60-mer capsids and package viral genomes. Overall, the SCHEMA algorithm may be useful for delineating quantitative design principles to guide the creation of libraries enriched in genome-protecting virus nanoparticles that can effectively transduce cells. Such improvements to the virus design process may help advance not only gene therapy applications but also other bionanotechnologies dependent upon the development of viruses with new sequences and functions.

  14. Computed oscillator strengths and energy levels for Fe III, Fe IV, Fe V, and Fe VI with calculated wavelengths and wavelengths derived from established data

    International Nuclear Information System (INIS)

    Fawcett, B.C.

    1989-01-01

    Calculated weighted oscillator strengths are tabulated for spectral lines of Fe III, Fe IV, Fe V, and Fe VI. The lines belong to transition arrays 3d 6 -3d 5 4p and 3d 5 4s-3d 5 4p in Fe III, 3d 5 -3d 4 4p and 3d 4 4s-3d 4 4p in Fe IV, 3d 4 -3d 3 4p and 3d 3 4s-3d 3 4p in Fe V, and 3d 3 -3d 2 4p and 3d 2 4s-3d 2 4p in Fe VI. For the calculations, Slater parameters are optimized on the basis of minimizing the discrepancies between observed and computed wavelengths. Configuration interaction was included among the 3d n , 3d n-1 4s, 3d n-2 4s 2 , 3d n-1 4d, and 3d n-1 5s even configurations and among the 3d n-1 4p, 3d n-2 4s4p, and 3d n-1 5p odd configurations, with 3p 5 3d n+1 added for Fe VI. Calculated wavelengths are compared with observational data, and the compositions of energy levels are listed. This completes a series of similar computations for these complex configurations covering Fe I to Fe VI

  15. Improved scFv Anti-HIV-1 p17 Binding Affinity Guided from the Theoretical Calculation of Pairwise Decomposition Energies and Computational Alanine Scanning

    Directory of Open Access Journals (Sweden)

    Panthip Tue-ngeun

    2013-01-01

    Full Text Available Computational approaches have been used to evaluate and define important residues for protein-protein interactions, especially antigen-antibody complexes. In our previous study, pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants has indicated the key specific residues in the complementary determining regions (CDRs of scFv anti-p17. In this present investigation in order to determine whether a specific side chain group of residue in CDRs plays an important role in bioactivity, computational alanine scanning has been applied. Molecular dynamics simulations were done with several complexes of original scFv anti-p17 and scFv anti-p17mutants with HIV-1 p17 epitope variants with a production run up to 10 ns. With the combination of pairwise decomposition residue interaction and alanine scanning calculations, the point mutation has been initially selected at the position MET100 to improve the residue binding affinity. The calculated docking interaction energy between a single mutation from methionine to either arginine or glycine has shown the improved binding affinity, contributed from the electrostatic interaction with the negative favorably interaction energy, compared to the wild type. Theoretical calculations agreed well with the results from the peptide ELISA results.

  16. Computer Programs for Uncertainty Analysis of Solubility Calculations: Windows Version and Other Updates of the SENVAR and UNCCON. Program Description and Handling Instructions

    International Nuclear Information System (INIS)

    Ekberg, Christian; Oedegaard Jensen, Arvid

    2004-04-01

    Uncertainty and sensitivity analysis is becoming more and more important for testing the reliability of computer predictions. Solubility estimations play important roles for, e.g. underground repositories for nuclear waste, other hazardous materials as well as simple dissolution problems in general or industrial chemistry applications. The calculated solubility of a solid phase is dependent on several input data, e.g. the stability constants for the complexes formed in the solution, the enthalpies of reaction for the formation of these complexes and also the content of other elements in the water used for the dissolution. These input data are determined with more or less accuracy and thus the results of the calculations are uncertain. For the purpose of investigating the effects of these uncertainties several computer programs were developed in the 1990s, e.g. SENVAR, MINVAR and UNCCON. Of these SENVAR and UNCCON now exist as windows programs based on a newer speciation code. In this report we have given an explanation of how the codes work and also given some test cases as handling instructions. The results are naturally similar to the previous ones but the advantages are easier handling and more stable solubility calculations. With these improvements the programs presented here will be more publically accessible

  17. COXPRO-II: a computer program for calculating radiation and conduction heat transfer in irradiated fuel assemblies

    International Nuclear Information System (INIS)

    Rhodes, C.A.

    1984-12-01

    This report describes the computer program COXPRO-II, which was written for performing thermal analyses of irradiated fuel assemblies in a gaseous environment with no forced cooling. The heat transfer modes within the fuel pin bundle are radiation exchange among fuel pin surfaces and conduction by the stagnant gas. The array of parallel cylindrical fuel pins may be enclosed by a metal wrapper or shroud. Heat is dissipated from the outer surface of the fuel pin assembly by radiation and convection. Both equilateral triangle and square fuel pin arrays can be analyzed. Steady-state and unsteady-state conditions are included. Temperatures predicted by the COXPRO-II code have been validated by comparing them with experimental measurements. Temperature predictions compare favorably to temperature measurements in pressurized water reactor (PWR) and liquid-metal fast breeder reactor (LMFBR) simulated, electrically heated fuel assemblies. Also, temperature comparisons are made on an actual irradiated Fast-Flux Test Facility (FFTF) LMFBR fuel assembly

  18. MO-G-17A-04: Internal Dosimetric Calculations for Pediatric Nuclear Imaging Applications, Using Monte Carlo Simulations and High-Resolution Pediatric Computational Models

    Energy Technology Data Exchange (ETDEWEB)

    Papadimitroulas, P; Kagadis, GC [University of Patras, Rion, Ahaia (Greece); Loudos, G [Technical Educational Institute of Athens, Aigaleo, Attiki (Greece)

    2014-06-15

    Purpose: Our purpose is to evaluate the administered absorbed dose in pediatric, nuclear imaging studies. Monte Carlo simulations with the incorporation of pediatric computational models can serve as reference for the accurate determination of absorbed dose. The procedure of the calculated dosimetric factors is described, while a dataset of reference doses is created. Methods: Realistic simulations were executed using the GATE toolkit and a series of pediatric computational models, developed by the “IT'IS Foundation”. The series of the phantoms used in our work includes 6 models in the range of 5–14 years old (3 boys and 3 girls). Pre-processing techniques were applied to the images, to incorporate the phantoms in GATE simulations. The resolution of the phantoms was set to 2 mm3. The most important organ densities were simulated according to the GATE “Materials Database”. Several used radiopharmaceuticals in SPECT and PET applications are being tested, following the EANM pediatric dosage protocol. The biodistributions of the several isotopes used as activity maps in the simulations, were derived by the literature. Results: Initial results of absorbed dose per organ (mGy) are presented in a 5 years old girl from the whole body exposure to 99mTc - SestaMIBI, 30 minutes after administration. Heart, kidney, liver, ovary, pancreas and brain are the most critical organs, in which the S-factors are calculated. The statistical uncertainty in the simulation procedure was kept lower than 5%. The Sfactors for each target organ are calculated in Gy/(MBq*sec) with highest dose being absorbed in kidneys and pancreas (9.29*10{sup 10} and 0.15*10{sup 10} respectively). Conclusion: An approach for the accurate dosimetry on pediatric models is presented, creating a reference dosage dataset for several radionuclides in children computational models with the advantages of MC techniques. Our study is ongoing, extending our investigation to other reference models and

  19. MO-G-17A-04: Internal Dosimetric Calculations for Pediatric Nuclear Imaging Applications, Using Monte Carlo Simulations and High-Resolution Pediatric Computational Models

    International Nuclear Information System (INIS)

    Papadimitroulas, P; Kagadis, GC; Loudos, G

    2014-01-01

    Purpose: Our purpose is to evaluate the administered absorbed dose in pediatric, nuclear imaging studies. Monte Carlo simulations with the incorporation of pediatric computational models can serve as reference for the accurate determination of absorbed dose. The procedure of the calculated dosimetric factors is described, while a dataset of reference doses is created. Methods: Realistic simulations were executed using the GATE toolkit and a series of pediatric computational models, developed by the “IT'IS Foundation”. The series of the phantoms used in our work includes 6 models in the range of 5–14 years old (3 boys and 3 girls). Pre-processing techniques were applied to the images, to incorporate the phantoms in GATE simulations. The resolution of the phantoms was set to 2 mm3. The most important organ densities were simulated according to the GATE “Materials Database”. Several used radiopharmaceuticals in SPECT and PET applications are being tested, following the EANM pediatric dosage protocol. The biodistributions of the several isotopes used as activity maps in the simulations, were derived by the literature. Results: Initial results of absorbed dose per organ (mGy) are presented in a 5 years old girl from the whole body exposure to 99mTc - SestaMIBI, 30 minutes after administration. Heart, kidney, liver, ovary, pancreas and brain are the most critical organs, in which the S-factors are calculated. The statistical uncertainty in the simulation procedure was kept lower than 5%. The Sfactors for each target organ are calculated in Gy/(MBq*sec) with highest dose being absorbed in kidneys and pancreas (9.29*10 10 and 0.15*10 10 respectively). Conclusion: An approach for the accurate dosimetry on pediatric models is presented, creating a reference dosage dataset for several radionuclides in children computational models with the advantages of MC techniques. Our study is ongoing, extending our investigation to other reference models and evaluating the

  20. Acquisition of data from on-line laser turbidimeter and calculation of some kinetic variables in computer-coupled automated fed-batch culture

    International Nuclear Information System (INIS)

    Kadotani, Y.; Miyamoto, K.; Mishima, N.; Kominami, M.; Yamane, T.

    1995-01-01

    Output signals of a commercially available on-line laser turbidimeter exhibit fluctuations due to air and/or CO 2 bubbles. A simple data processing algorithm and a personal computer software have been developed to smooth the noisy turbidity data acquired, and to utilize them for the on-line calculations of some kinetic variables involved in batch and fed-batch cultures of uniformly dispersed microorganisms. With this software, about 10 3 instantaneous turbidity data acquired over 55 s are averaged and convert it to dry cell concentration, X, every minute. Also, volume of the culture broth, V, is estimated from the averaged output data of weight loss of feed solution reservoir, W, using an electronic balance on which the reservoir is placed. Then, the computer software is used to perform linear regression analyses over the past 30 min of the total biomass, VX, the natural logarithm of the total biomass, ln(VX), and the weight loss, W, in order to calculate volumetric growth rate, d(VX)/dt, specific growth rate, μ [ = dln(VX)/dt] and the rate of W, dW/dt, every minute in a fed-batch culture. The software used to perform the first-order regression analyses of VX, ln(VX) and W was applied to batch or fed-batch cultures of Escherichia coli on minimum synthetic or natural complex media. Sample determination coefficients of the three different variables (VX, ln(VX) and W) were close to unity, indicating that the calculations are accurate. Furthermore, growth yield, Y x/s , and specific substrate consumption rate, q sc , were approximately estimated from the data, dW/dt and in a ‘balanced’ fed-batch culture of E. coli on the minimum synthetic medium where the computer-aided substrate-feeding system automatically matches well with the cell growth. (author)

  1. User's manual for DELSOL2: a computer code for calculating the optical performance and optimal system design for solar-thermal central-receiver plants

    Energy Technology Data Exchange (ETDEWEB)

    Dellin, T.A.; Fish, M.J.; Yang, C.L.

    1981-08-01

    DELSOL2 is a revised and substantially extended version of the DELSOL computer program for calculating collector field performance and layout, and optimal system design for solar thermal central receiver plants. The code consists of a detailed model of the optical performance, a simpler model of the non-optical performance, an algorithm for field layout, and a searching algorithm to find the best system design. The latter two features are coupled to a cost model of central receiver components and an economic model for calculating energy costs. The code can handle flat, focused and/or canted heliostats, and external cylindrical, multi-aperture cavity, and flat plate receivers. The program optimizes the tower height, receiver size, field layout, heliostat spacings, and tower position at user specified power levels subject to flux limits on the receiver and land constraints for field layout. The advantages of speed and accuracy characteristic of Version I are maintained in DELSOL2.

  2. Short-term calculations to supplement the RS 16 B PWR experiments with internals (PWR1 to PWR5), using the LECK 4 computer code

    International Nuclear Information System (INIS)

    Hughes, G.; Mueller, R.

    1980-03-01

    Within the framework of research project RS 16 B sponsored by the German BMFT a series of a blowdown experiments, DWR1 to DWR5, were performed using a vessel with dummy internals under conditions similar to those in a PWR. The prime objective of these experiments was the investigation of the highly transient blowdown phenomena in the discharge nozzle and the determination of the induced loads on the internals. As a partner in the project, KWU carried out both pre-test predictions and post-test analyses of these experiments using, among others, the computer code LECK 4. For the most severe blowdown test DWR5, the influence of the most important model parameters on the blowdown analysis was investigated in detail. These investigations suggest that, similar to the long-term analyses, calculations using the homogeneous critical flow model would improve agreement between calculation and experiment. (orig./RW) [de

  3. MOPABA-H2 - Computer code for calculation of hydrogen generation and distribution in the equipment of power plants with WWER type reactors in design modes of operation

    International Nuclear Information System (INIS)

    Arkhipov, O.P.; Kharitonov, Yu.V.; Shumskiy, A.M.; Kabakchi, S.A.

    2002-01-01

    With the aim of ensuring the hydrogen explosive-proof situation in the reactor plant, a complex of scientific-and-research work was carried out including the following: revealing the mechanisms of generation and release of hydrogen in the primary equipment components under design operation modes of the reactor plant with WWER; development of calculation procedure and computer code MOPABA-H2 enabling to determine the hydrogen content in RP equipment components under design operation modes. In the process of procedure development it was found out that the calculation of hydrogen content in the plant equipment requires development of the following main mathematical models: radiochemical processes in the primary coolant which has impurities and added special reagents; absorption of the core ionizing radiation by the coolant; steam-zirconium reaction (during design-basis accident of LOCA type); coolant mass transfer over the reactor plant equipment including transition of the phase boundary by the components of the coolant. (author)

  4. FPDCYS and FPSPEC: computer programs for calculating fission-product beta and gamma multigroup spectra from ENDF/B-IV data

    International Nuclear Information System (INIS)

    Stamatelatos, M.G.; England, T.R.

    1977-05-01

    FPDCYS and FPSPEC are two FORTRAN computer programs used at the Los Alamos Scientific Laboratory (LASL), in conjunction with the CINDER-10 program, for calculating cumulative fission-product beta and/or gamma multigroup spectra in arbitrary energy structures, and for arbitrary neutron irradiation periods and cooling times. FPDCYS processes ENDF/B-IV fission-product decay energy data to generate multigroup beta and gamma spectra from individual ENDF/B-IV fission-product nuclides. FPSPEC further uses these spectra and the corresponding nuclide activities calculated by the CINDER-10 code to produce cumulative beta and gamma spectra in the same energy grids in which FPDCYS generates individual isotope decay spectra. The code system consisting of CINDER-10, FPDCYS, and FPSPEC has been used for comparisons with experimental spectra and continues to be used at LASL for generating spectra in special user-oriented group structures. 3 figures

  5. Calculation of temperature fields formed in induction annealing of closing welded joint of jacket of steam generator for WWER 440 type nuclear power plant using ICL 2960 computer

    International Nuclear Information System (INIS)

    Sajnar, P.; Fiala, J.

    1983-01-01

    The problems are discussed of the mathematical description and simulation of temperature fields in annealing the closing weld of the steam generator jacket of the WWER 440 nuclear power plant. The basic principles are given of induction annealing, the method of calculating temperature fields is indicated and the mathematical description is given of boundary conditions on the outer and inner surfaces of the steam generator jacket for the computation of temperature fields arising during annealing. Also described are the methods of determining the temperature of exposed parts of heat exchange tubes inside the steam generator and the technical possibilities are assessed of the annealing equipment from the point of view of its computer simulation. Five alternatives are given for the computation of temperature fields in the area around the weld for different boundary conditions. The values are given of maximum differences in the temperatures of the metal in the annealed part of the steam generator jacket which allow the assessment of individual computation variants, this mainly from the point of view of observing the course of annealing temperature in the required width of the annealed jacket of the steam generator along both sides of the closing weld. (B.S.)

  6. SFACTOR: a computer code for calculating dose equivalent to a target organ per microcurie-day residence of a radionuclide in a source organ - supplementary report

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, Jr, D E; Pleasant, J C; Killough, G G

    1980-05-01

    The purpose of this report is to describe revisions in the SFACTOR computer code and to provide useful documentation for that program. The SFACTOR computer code has been developed to implement current methodologies for computing the average dose equivalent rate S(X reverse arrow Y) to specified target organs in man due to 1 ..mu..Ci of a given radionuclide uniformly distributed in designated source orrgans. The SFACTOR methodology is largely based upon that of Snyder, however, it has been expanded to include components of S from alpha and spontaneous fission decay, in addition to electron and photon radiations. With this methodology, S-factors can be computed for any radionuclide for which decay data are available. The tabulations in Appendix II provide a reference compilation of S-factors for several dosimetrically important radionuclides which are not available elsewhere in the literature. These S-factors are calculated for an adult with characteristics similar to those of the International Commission on Radiological Protection's Reference Man. Corrections to tabulations from Dunning are presented in Appendix III, based upon the methods described in Section 2.3. 10 refs.

  7. DOSIS: a computer program for the calculation of absorbed dose in photon and electron beams from ionization measurements in a phantom

    Energy Technology Data Exchange (ETDEWEB)

    Andreo, P [Kungliga Karolinska Mediko-Kirurgiska Inst., Stockholm (Sweden). Radiofysiska Institutionen; Zaragoza Univ. (Spain). Dept. de Radiologia)

    1983-06-15

    A computer program has been developed to facilitate the calculation of the absorbed dose in photon and electron beams from measurements with an ionization chamber in a phantom. The generalized Bragg-Gray theory, introduced in the latest recommendations of the Nordic Association of Clinical Physics (NACP), is used throughout the code, including more updated parameter values than those included in the NACP protocol. The calibration factor of the ionization chamber in units of absorbed dose in the air of the cavity can be derived for most of the chambers available today by using experimental data or fitted relations to Monte Carlo results.

  8. TRAJ - a FORTRAN 77 computer program for the calculation of trajectories on the basis of space and time varying velocity fields

    International Nuclear Information System (INIS)

    Zimmer, J.

    1986-09-01

    The computation of three dimensional trajectories is described in this report. Since measurements of the position and velocity of individual fluid parcels are difficult to be carried out and analytic solutions applicable to the trajectory problem are not available, trajectories have to be calculated by successive observations of the corresponding velocity fields using a method of successive approximation. The application is restricted to cartesian grid coordinate system with equidistant grid points. This model was developed for meteorological purposes (transport of pollutants) but can also be used for other fluids and scales. (orig./PW) [de

  9. KINETIC-J: A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

    Science.gov (United States)

    Green, David L.; Berry, Lee A.; Simpson, Adam B.; Younkin, Timothy R.

    2018-04-01

    We present the KINETIC-J code, a computational kernel for evaluating the linearized Vlasov equation with application to calculating the kinetic plasma response (current) to an applied time harmonic wave electric field. This code addresses the need for a configuration space evaluation of the plasma current to enable kinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourier spectral methods. We benchmark the kernel via comparison with the standard k →-space forms of the hot plasma conductivity tensor.

  10. Dynamic Thermal Loads and Cooling Requirements Calculations for V ACs System in Nuclear Fuel Processing Facilities Using Computer Aided Energy Conservation Models

    International Nuclear Information System (INIS)

    EL Fawal, M.M.; Gadalla, A.A.; Taher, B.M.

    2010-01-01

    In terms of nuclear safety, the most important function of ventilation air conditioning (VAC) systems is to maintain safe ambient conditions for components and structures important to safety inside the nuclear facility and to maintain appropriate working conditions for the plant's operating and maintenance staff. As a part of a study aimed to evaluate the performance of VAC system of the nuclear fuel cycle facility (NFCF) a computer model was developed and verified to evaluate the thermal loads and cooling requirements for different zones of fuel processing facility. The program is based on transfer function method (TFM) and it is used to calculate the dynamic heat gain by various multilayer walls constructions and windows hour by hour at any orientation of the building. The developed model was verified by comparing the obtained calculated results of the solar heat gain by a given building with the corresponding calculated values using finite difference method (FDM) and total equivalent temperature different method (TETD). As an example the developed program is used to calculate the cooling loads of the different zones of a typical nuclear fuel facility the results showed that the cooling capacities of the different cooling units of each zone of the facility meet the design requirements according to safety regulations in nuclear facilities.

  11. CALIPSO - a computer code for the calculation of fluiddynamics, thermohydraulics and changes of geometry in failing fuel elements of a fast breeder reactor

    International Nuclear Information System (INIS)

    Kedziur, F.

    1982-07-01

    The computer code CALIPSO was developed for the calculation of a hypothetical accident in an LMFBR (Liquid Metal Fast Breeder Reactor), where the failure of fuel pins is assumed. It calculates two-dimensionally the thermodynamics, fluiddynamics and changes in geometry of a single fuel pin and its coolant channel in a time period between failure of the pin and a state, at which the geometry is nearly destroyed. The determination of temperature profiles in the fuel pin cladding and the channel wall make it possible to take melting and freezing processes into account. Further features of CALIPSO are the variable channel cross section in order to model disturbances of the channel geometry as well as the calculation of two velocity fields including the consideration of virtual mass effects. The documented version of CALIPSO is especially suited for the calculation of the SIMBATH experiments carried out at the Kernforschungszentrum Karlsruhe, which simulate the above-mentioned accident. The report contains the complete documentation of the CALIPSO code: the modeling of the geometry, the equations used, the structure of the code and the solution procedure as well as the instructions for use with an application example. (orig.) [de

  12. Development of a computational code for calculations of shielding in dental facilities; Desenvolvimento de um codigo computacional para calculos de blindagem em instalacoes odontologicas

    Energy Technology Data Exchange (ETDEWEB)

    Lava, Deise D.; Borges, Diogo da S.; Affonso, Renato R.W.; Guimaraes, Antonio C.F.; Moreira, Maria de L., E-mail: deise_dy@hotmail.com, E-mail: diogosb@outlook.com, E-mail: raoniwa@yahoo.com.br, E-mail: tony@ien.gov.br, E-mail: malu@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2014-07-01

    This paper is prepared in order to address calculations of shielding to minimize the interaction of patients with ionizing radiation and / or personnel. The work includes the use of protection report Radiation in Dental Medicine (NCRP-145 or Radiation Protection in Dentistry), which establishes calculations and standards to be adopted to ensure safety to those who may be exposed to ionizing radiation in dental facilities, according to the dose limits established by CNEN-NN-3.1 standard published in September / 2011. The methodology comprises the use of computer language for processing data provided by that report, and a commercial application used for creating residential projects and decoration. The FORTRAN language was adopted as a method for application to a real case. The result is a programming capable of returning data related to the thickness of material, such as steel, lead, wood, glass, plaster, acrylic, acrylic and leaded glass, which can be used for effective shielding against single or continuous pulse beams. Several variables are used to calculate the thickness of the shield, as: number of films used in the week, film load, use factor, occupational factor, distance between the wall and the source, transmission factor, workload, area definition, beam intensity, intraoral and panoramic exam. Before the application of the methodology is made a validation of results with examples provided by NCRP-145. The calculations redone from the examples provide answers consistent with the report.

  13. Vibrational, NMR and UV-visible spectroscopic investigation and NLO studies on benzaldehyde thiosemicarbazone using computational calculations

    Science.gov (United States)

    Moorthy, N.; Prabakar, P. C. Jobe; Ramalingam, S.; Pandian, G. V.; Anbusrinivasan, P.

    2016-04-01

    In order to investigate the vibrational, electronic and NLO characteristics of the compound; benzaldehyde thiosemicarbazone (BTSC), the XRD, FT-IR, FT-Raman, NMR and UV-visible spectra were recorded and were analysed with the calculated spectra by using HF and B3LYP methods with 6-311++G(d,p) basis set. The XRD results revealed that the stabilized molecular systems were confined in orthorhombic unit cell system. The cause for the change of chemical and physical properties behind the compound has been discussed makes use of Mulliken charge levels and NBO in detail. The shift of molecular vibrational pattern by the fusing of ligand; thiosemicarbazone group with benzaldehyde has been keenly observed. The occurrence of in phase and out of phase molecular interaction over the frontier molecular orbitals was determined to evaluate the degeneracy of the electronic energy levels. The thermodynamical studies of the temperature region 100-1000 K to detect the thermal stabilization of the crystal phase of the compound were investigated. The NLO properties were evaluated by the determination of the polarizability and hyperpolarizability of the compound in crystal phase. The physical stabilization of the geometry of the compound has been explained by geometry deformation analysis.

  14. COMPUTING

    CERN Multimedia

    M. Kasemann

    Overview In autumn the main focus was to process and handle CRAFT data and to perform the Summer08 MC production. The operational aspects were well covered by regular Computing Shifts, experts on duty and Computing Run Coordination. At the Computing Resource Board (CRB) in October a model to account for service work at Tier 2s was approved. The computing resources for 2009 were reviewed for presentation at the C-RRB. The quarterly resource monitoring is continuing. Facilities/Infrastructure operations Operations during CRAFT data taking ran fine. This proved to be a very valuable experience for T0 workflows and operations. The transfers of custodial data to most T1s went smoothly. A first round of reprocessing started at the Tier-1 centers end of November; it will take about two weeks. The Computing Shifts procedure was tested full scale during this period and proved to be very efficient: 30 Computing Shifts Persons (CSP) and 10 Computing Resources Coordinators (CRC). The shift program for the shut down w...

  15. A Monte Carlo program for calculating high energy spectra in cylindrical geometry on the IBM 709 computer

    Energy Technology Data Exchange (ETDEWEB)

    Francescon, S [Computer Branch, Technical Assessments and Services Division, Atomic Energy Establishment, Winfrith, Dorchester, Dorset (United Kingdom)

    1960-10-15

    The report describes an I.B.M. 709 program written at the request of the Reactor Division, Harwell, to obtain high energy spectra in a system containing a number of fissile and non-fissile materials, arranged as concentric cylinders of infinite length surrounded by an outer material with a square or rectangular boundary. At the cell boundary neutrons can be lost by leakage or reflected back into the system. A specified number of fission neutrons born in the fissile materials, together with any descendants they may have, are tracked one by one through the system until they are absorbed, lost by leakage through the lattice boundary, or their energies have fallen below a specifiable cut-off energy. The neutrons may be started from anywhere in the system and all neutron-nucleus reactions that occur in the nuclides supplied with the program are allowed. A descriptions is given of the use of the program, the current version of which is available as a self-loading binary tape which contains, in addition to the program, all the nuclear data at present available. Binary card decks are also available and nuclear data for other nuclides can be added. A feature of the program is the flexibility with which the core storage available for input and output data can be allocated according to the requirements of the problem. The output of the program is in the form of a Binary Coded Decimal tape (B.C.D.) which can be used on the normal I.B.M. off-line equipment to print out the results. An example is given of the results obtained for use in radiation damage calculations of the spatial distribution of neutrons in a simple uranium-D{sub 2}O system.

  16. COMPUTING

    CERN Multimedia

    I. Fisk

    2011-01-01

    Introduction CMS distributed computing system performed well during the 2011 start-up. The events in 2011 have more pile-up and are more complex than last year; this results in longer reconstruction times and harder events to simulate. Significant increases in computing capacity were delivered in April for all computing tiers, and the utilisation and load is close to the planning predictions. All computing centre tiers performed their expected functionalities. Heavy-Ion Programme The CMS Heavy-Ion Programme had a very strong showing at the Quark Matter conference. A large number of analyses were shown. The dedicated heavy-ion reconstruction facility at the Vanderbilt Tier-2 is still involved in some commissioning activities, but is available for processing and analysis. Facilities and Infrastructure Operations Facility and Infrastructure operations have been active with operations and several important deployment tasks. Facilities participated in the testing and deployment of WMAgent and WorkQueue+Request...

  17. COMPUTING

    CERN Multimedia

    P. McBride

    The Computing Project is preparing for a busy year where the primary emphasis of the project moves towards steady operations. Following the very successful completion of Computing Software and Analysis challenge, CSA06, last fall, we have reorganized and established four groups in computing area: Commissioning, User Support, Facility/Infrastructure Operations and Data Operations. These groups work closely together with groups from the Offline Project in planning for data processing and operations. Monte Carlo production has continued since CSA06, with about 30M events produced each month to be used for HLT studies and physics validation. Monte Carlo production will continue throughout the year in the preparation of large samples for physics and detector studies ramping to 50 M events/month for CSA07. Commissioning of the full CMS computing system is a major goal for 2007. Site monitoring is an important commissioning component and work is ongoing to devise CMS specific tests to be included in Service Availa...

  18. COMPUTING

    CERN Multimedia

    M. Kasemann

    Overview During the past three months activities were focused on data operations, testing and re-enforcing shift and operational procedures for data production and transfer, MC production and on user support. Planning of the computing resources in view of the new LHC calendar in ongoing. Two new task forces were created for supporting the integration work: Site Commissioning, which develops tools helping distributed sites to monitor job and data workflows, and Analysis Support, collecting the user experience and feedback during analysis activities and developing tools to increase efficiency. The development plan for DMWM for 2009/2011 was developed at the beginning of the year, based on the requirements from the Physics, Computing and Offline groups (see Offline section). The Computing management meeting at FermiLab on February 19th and 20th was an excellent opportunity discussing the impact and for addressing issues and solutions to the main challenges facing CMS computing. The lack of manpower is particul...

  19. Development of computer programme for the use of empirical calculation of mining subsidence; Desarrollo informatico para utilizacion de los metodos empiricos de calculo de subsidencia minera

    Energy Technology Data Exchange (ETDEWEB)

    1999-09-01

    The fundamental objective of the project is the elaboration of a user friendly computer programme which allows to mining technicians an easy application of the empirical calculation methods of mining subsidence. As is well known these methods use, together with a suitable theoretical support, the experimental data obtained during a long period of mining activities in areas of different geological and geomechanical nature. Thus they can incorporate to the calculus the local parameters that hardly could be taken into account by using pure theoretical methods. In general, as basic calculation method, it has been followed the procedure development by the VNIMI Institute of Leningrad, a particularly suitable method for application to the most various conditions that may occur in the mining of flat or steep seams. The computer programme has been worked out on the basis of MicroStation System (5.0 version) of INTERGRAPH which allows the development of new applications related to the basic aims of the project. An important feature, of the programme that may be quoted is the easy adaptation to local conditions by adjustment of the geomechanical or mining parameters according to the values obtained from the own working experience. (Author)

  20. Hepatic arterial phase and portal venous phase computed tomography for dose calculation of stereotactic body radiation therapy plans in liver cancer: a dosimetric comparison study

    International Nuclear Information System (INIS)

    Xiao, Jianghong; Li, Yan; Jiang, Qingfeng; Sun, Lan; Henderson Jr, Fraser; Wang, Yongsheng; Jiang, Xiaoqin; Li, Guangjun; Chen, Nianyong

    2013-01-01

    To investigate the effect of computed tomography (CT) using hepatic arterial phase (HAP) and portal venous phase (PVP) contrast on dose calculation of stereotactic body radiation therapy (SBRT) for liver cancer. Twenty-one patients with liver cancer were studied. HAP, PVP and non-enhanced CTs were performed on subjects scanned in identical positions under active breathing control (ABC). SBRT plans were generated using seven-field three-dimensional conformal radiotherapy (7 F-3D-CRT), seven-field intensity-modulated radiotherapy (7 F-IMRT) and single-arc volumetric modulated arc therapy (VMAT) based on the PVP CT. Plans were copied to the HAP and non-enhanced CTs. Radiation doses calculated from the three phases of CTs were compared with respect to the planning target volume (PTV) and the organs at risk (OAR) using the Friedman test and the Wilcoxon signed ranks test. SBRT plans calculated from either PVP or HAP CT, including 3D-CRT, IMRT and VMAT plans, demonstrated significantly lower (p <0.05) minimum absorbed doses covering 98%, 95%, 50% and 2% of PTV (D98%, D95%, D50% and D2%) than those calculated from non-enhanced CT. The mean differences between PVP or HAP CT and non-enhanced CT were less than 2% and 1% respectively. All mean dose differences between the three phases of CTs for OARs were less than 2%. Our data indicate that though the differences in dose calculation between contrast phases are not clinically relevant, dose underestimation (IE, delivery of higher-than-intended doses) resulting from CT using PVP contrast is larger than that resulting from CT using HAP contrast when compared against doses based upon non-contrast CT in SBRT treatment of liver cancer using VMAT, IMRT or 3D-CRT

  1. Heterogeneous Calculation of {epsilon}

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Alf

    1961-02-15

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of {epsilon}. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer.

  2. Heterogeneous Calculation of ε

    International Nuclear Information System (INIS)

    Jonsson, Alf

    1961-02-01

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of ε. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer

  3. An EGS4-ready tomographic computational model of a 14-year-old female torso for calculating organ doses from CT examinations

    International Nuclear Information System (INIS)

    Caon, M.; School of Physics and Electronic Systems Engineering, University of South Australia, The Levels Campus, Mawson Lakes, South Australia, 5095; Pattison, J.

    1999-01-01

    Fifty-four consecutive CT scans have been used to construct a tomographic computational model of a 14-year-old female torso suitable for the determination of organ doses from CT. The model, known as ADELAIDE, is in the form of an input file compatible with user codes based on XYZDOS.MOR from the readily available EGS4 Monte Carlo radiation transport code. ADELAIDE's dimensions are close to the Australian averages for her age so the model is representative of a 14-year-old girl. The realistic anatomy in the model differs considerably from that in Cristy's 15-year-old mathematical computational model by having realistically shaped organs that are appropriately located within a real external contour. Average absorbed dose to organs from simulated CT examinations of the chest and abdomen have been calculated for ADELAIDE using EGS4 within a geometry specific to the General Electric Hi-Speed Advantage CT scanner and using an x-ray spectrum calculated using data from the scanner's x-ray tube. The simulations include the scanner's beam shaping filter and patient table. It is suggested that the resulting values have fewer possible sources of uncertainty than organ doses derived from dose coefficients calculated for a MIRD style model with mathematical anatomy and a spectrum that may not match that of the scanner. The organ doses were normalized using the scanner's CTDI measured free-in-air and an EGS4 simulation of the CTDI measurement. Effective dose to the torso from 26-slice chest and 24-slice abdomen examinations (at 120 kV, 200 mAs, 7 mm slices) is 4.6±0.1mSv and 4.3±0.1mSv respectively. (author)

  4. Computational modeling of the mathematical dummy of the Brazilian woman for calculations of internal dosimetry and ends of comparison of the fractions absorbed specific with the woman reference

    International Nuclear Information System (INIS)

    Ximenes, Edmir

    2006-01-01

    Tools for dosimetric calculations are of the utmost importance for the basic principles of radiological protection, not only in nuclear medicine, but also in other scientific calculations. In this work a mathematical model of the Brazilian woman is developed in order to be used as a basis for calculations of Specific Absorbed Fractions (SAFs) in internal organs and in the skeleton, in accord with the objectives of diagnosis or therapy in nuclear medicine. The model developed here is similar in form to that of Snyder, but modified to be more relevant to the case of the Brazilian woman. To do this, the formalism of the Monte Carlo method was used by means of the ALGAM- 97 R computational code. As a contribution to the objectives of this thesis, we developed the computational system cSAF - consultation for Specific Absorbed Fractions (cFAE from Portuguese acronym) - which furnishes several 'look-up' facilities for the research user. The dialogue interface with the operator was planned following current practices in the utilization of event-oriented languages. This interface permits the user to navigate by means of the reference models, choose the source organ, the energy desired, and receive an answer through an efficient and intuitive dialogue. The system furnishes, in addition to the data referring to the Brazilian woman, data referring to the model of Snyder and to the model of the Brazilian man. The system makes available not only individual data to the SAFs of the three models, but also a comparison among them. (author)

  5. ANDOSE: a computer code for calculating annual doses to man from routine releases of LWR effluents for the purpose of evaluating compliance with JAEC's guide for doseobjectives

    International Nuclear Information System (INIS)

    Iijima, Toshinori; Shiraishi, Tadao

    1979-10-01

    For environmental doses from routine releases of LWRs effluents to meet the Criterion 'As Low As is Practicable (ALAP)', Japan Atomic Energy Commission (JAEC) established a series of guides, the first for 'Dose Objectives' (May 1975), the second for models and parameters for calculating the environmental doses to compare with the 'Dose Objectives' (September 1976), and the third providing onsite meteorological programs, statistics of the data obtained and atmospheric dispersion models (June 1977). JAERI has developed a computer code, designated as ANDOSE, for calculating annual releases of radioactive gaseous and liquid effluents and, then, total body doses and thyroid doses to individuals around sites on the basis of these guides. The total body doses are from radioactive noble gases as well as from radioactive materials taken with marine food. For the calculation of thyroid doses are taken into account exposure pathways via inhalation and ingestion of leafy vegetables, cow's milk and marine food. The age-specific thyroid doses are evaluated. The doses are summed up when multisource or multisite conditions need to be evaluated (Nuclear Safety Bureau's requirement). In the present report, are described source-term models, environmental transport models and dose models used in the code, of which most are provided in the guides but some are complemented by the authors, the functions of ANDOSE and the manual for users of the code. The program lists and the latter two guides mentioned above are included in the appendices. (author)

  6. Development of a computer program of fast calculation for the pre design of advanced nuclear fuel 10 x 10 for BWR type reactors

    International Nuclear Information System (INIS)

    Perusquia, R.; Montes, J.L.; Ortiz, J.J.

    2005-01-01

    In the National Institute of Nuclear Research (ININ) a methodology is developed to optimize the design of cells 10x10 of assemble fuels for reactors of water in boil or BWR. It was proposed a lineal calculation formula based on a coefficients matrix (of the change reason of the relative power due to changes in the enrichment of U-235) for estimate the relative powers by pin of a cell. With this it was developed the computer program of fast calculation named PreDiCeldas. The one which by means of a simple search algorithm allows to minimize the relative power peak maximum of cell or LPPF. This is achieved varying the distribution of U-235 inside the cell, maintaining in turn fixed its average enrichment. The accuracy in the estimation of the relative powers for pin is of the order from 1.9% when comparing it with results of the 'best estimate' HELIOS code. With the PreDiCeldas it was possible, at one minimum time of calculation, to re-design a reference cell diminishing the LPPF, to the beginning of the life, of 1.44 to a value of 1.31. With the cell design with low LPPF is sought to even design cycles but extensive that those reached at the moment in the BWR of the Laguna Verde Central. (Author)

  7. COMPUTING

    CERN Multimedia

    I. Fisk

    2013-01-01

    Computing activity had ramped down after the completion of the reprocessing of the 2012 data and parked data, but is increasing with new simulation samples for analysis and upgrade studies. Much of the Computing effort is currently involved in activities to improve the computing system in preparation for 2015. Operations Office Since the beginning of 2013, the Computing Operations team successfully re-processed the 2012 data in record time, not only by using opportunistic resources like the San Diego Supercomputer Center which was accessible, to re-process the primary datasets HTMHT and MultiJet in Run2012D much earlier than planned. The Heavy-Ion data-taking period was successfully concluded in February collecting almost 500 T. Figure 3: Number of events per month (data) In LS1, our emphasis is to increase efficiency and flexibility of the infrastructure and operation. Computing Operations is working on separating disk and tape at the Tier-1 sites and the full implementation of the xrootd federation ...

  8. COMPUTING

    CERN Multimedia

    I. Fisk

    2010-01-01

    Introduction It has been a very active quarter in Computing with interesting progress in all areas. The activity level at the computing facilities, driven by both organised processing from data operations and user analysis, has been steadily increasing. The large-scale production of simulated events that has been progressing throughout the fall is wrapping-up and reprocessing with pile-up will continue. A large reprocessing of all the proton-proton data has just been released and another will follow shortly. The number of analysis jobs by users each day, that was already hitting the computing model expectations at the time of ICHEP, is now 33% higher. We are expecting a busy holiday break to ensure samples are ready in time for the winter conferences. Heavy Ion An activity that is still in progress is computing for the heavy-ion program. The heavy-ion events are collected without zero suppression, so the event size is much large at roughly 11 MB per event of RAW. The central collisions are more complex and...

  9. COMPUTING

    CERN Multimedia

    M. Kasemann P. McBride Edited by M-C. Sawley with contributions from: P. Kreuzer D. Bonacorsi S. Belforte F. Wuerthwein L. Bauerdick K. Lassila-Perini M-C. Sawley

    Introduction More than seventy CMS collaborators attended the Computing and Offline Workshop in San Diego, California, April 20-24th to discuss the state of readiness of software and computing for collisions. Focus and priority were given to preparations for data taking and providing room for ample dialog between groups involved in Commissioning, Data Operations, Analysis and MC Production. Throughout the workshop, aspects of software, operating procedures and issues addressing all parts of the computing model were discussed. Plans for the CMS participation in STEP’09, the combined scale testing for all four experiments due in June 2009, were refined. The article in CMS Times by Frank Wuerthwein gave a good recap of the highly collaborative atmosphere of the workshop. Many thanks to UCSD and to the organizers for taking care of this workshop, which resulted in a long list of action items and was definitely a success. A considerable amount of effort and care is invested in the estimate of the comput...

  10. Dosimetric comparison of lung stereotactic body radiotherapy treatment plans using averaged computed tomography and end-exhalation computed tomography images: Evaluation of the effect of different dose-calculation algorithms and prescription methods

    Energy Technology Data Exchange (ETDEWEB)

    Mitsuyoshi, Takamasa; Nakamura, Mitsuhiro, E-mail: m_nkmr@kuhp.kyoto-u.ac.jp; Matsuo, Yukinori; Ueki, Nami; Nakamura, Akira; Iizuka, Yusuke; Mampuya, Wambaka Ange; Mizowaki, Takashi; Hiraoka, Masahiro

    2016-01-01

    The purpose of this article is to quantitatively evaluate differences in dose distributions calculated using various computed tomography (CT) datasets, dose-calculation algorithms, and prescription methods in stereotactic body radiotherapy (SBRT) for patients with early-stage lung cancer. Data on 29 patients with early-stage lung cancer treated with SBRT were retrospectively analyzed. Averaged CT (Ave-CT) and expiratory CT (Ex-CT) images were reconstructed for each patient using 4-dimensional CT data. Dose distributions were initially calculated using the Ave-CT images and recalculated (in the same monitor units [MUs]) by employing Ex-CT images with the same beam arrangements. The dose-volume parameters, including D{sub 95}, D{sub 90}, D{sub 50}, and D{sub 2} of the planning target volume (PTV), were compared between the 2 image sets. To explore the influence of dose-calculation algorithms and prescription methods on the differences in dose distributions evident between Ave-CT and Ex-CT images, we calculated dose distributions using the following 3 different algorithms: x-ray Voxel Monte Carlo (XVMC), Acuros XB (AXB), and the anisotropic analytical algorithm (AAA). We also used 2 different dose-prescription methods; the isocenter prescription and the PTV periphery prescription methods. All differences in PTV dose-volume parameters calculated using Ave-CT and Ex-CT data were within 3 percentage points (%pts) employing the isocenter prescription method, and within 1.5%pts using the PTV periphery prescription method, irrespective of which of the 3 algorithms (XVMC, AXB, and AAA) was employed. The frequencies of dose-volume parameters differing by >1%pt when the XVMC and AXB were used were greater than those associated with the use of the AAA, regardless of the dose-prescription method employed. All differences in PTV dose-volume parameters calculated using Ave-CT and Ex-CT data on patients who underwent lung SBRT were within 3%pts, regardless of the dose-calculation

  11. Dosimetric comparison of lung stereotactic body radiotherapy treatment plans using averaged computed tomography and end-exhalation computed tomography images: Evaluation of the effect of different dose-calculation algorithms and prescription methods

    International Nuclear Information System (INIS)

    Mitsuyoshi, Takamasa; Nakamura, Mitsuhiro; Matsuo, Yukinori; Ueki, Nami; Nakamura, Akira; Iizuka, Yusuke; Mampuya, Wambaka Ange; Mizowaki, Takashi; Hiraoka, Masahiro

    2016-01-01

    The purpose of this article is to quantitatively evaluate differences in dose distributions calculated using various computed tomography (CT) datasets, dose-calculation algorithms, and prescription methods in stereotactic body radiotherapy (SBRT) for patients with early-stage lung cancer. Data on 29 patients with early-stage lung cancer treated with SBRT were retrospectively analyzed. Averaged CT (Ave-CT) and expiratory CT (Ex-CT) images were reconstructed for each patient using 4-dimensional CT data. Dose distributions were initially calculated using the Ave-CT images and recalculated (in the same monitor units [MUs]) by employing Ex-CT images with the same beam arrangements. The dose-volume parameters, including D 95 , D 90 , D 50 , and D 2 of the planning target volume (PTV), were compared between the 2 image sets. To explore the influence of dose-calculation algorithms and prescription methods on the differences in dose distributions evident between Ave-CT and Ex-CT images, we calculated dose distributions using the following 3 different algorithms: x-ray Voxel Monte Carlo (XVMC), Acuros XB (AXB), and the anisotropic analytical algorithm (AAA). We also used 2 different dose-prescription methods; the isocenter prescription and the PTV periphery prescription methods. All differences in PTV dose-volume parameters calculated using Ave-CT and Ex-CT data were within 3 percentage points (%pts) employing the isocenter prescription method, and within 1.5%pts using the PTV periphery prescription method, irrespective of which of the 3 algorithms (XVMC, AXB, and AAA) was employed. The frequencies of dose-volume parameters differing by >1%pt when the XVMC and AXB were used were greater than those associated with the use of the AAA, regardless of the dose-prescription method employed. All differences in PTV dose-volume parameters calculated using Ave-CT and Ex-CT data on patients who underwent lung SBRT were within 3%pts, regardless of the dose-calculation algorithm or the

  12. GORGON - a computer code for the calculation of energy deposition and the slowing down of ions in cold materials and hot dense plasmas

    International Nuclear Information System (INIS)

    Long, K.A.; Moritz, N.; Tahir, N.A.

    1983-11-01

    The computer code GORGON, which calculates the energy deposition and slowing down of ions in cold materials and hot plasmas is described, and analyzed in this report. This code is in a state of continuous development but an intermediate stage has been reached where it is considered useful to document the 'state of the art' at the present time. The GORGON code is an improved version of a code developed by Zinamon et al. as part of a more complex program system for studying the hydrodynamic motion of plane metal targets irradiated by intense beams of protons. The improvements made in the code were necessary to improve its usefulness for problems related to the design and burn of heavy ion beam driven inertial confinement fusion targets. (orig./GG) [de

  13. Improvement of a computational algorithm that calculates a simulated distillation curve of crude; Aprimoramento de algoritmo computacional para calculo de curva de destilacao simulada de petroleo bruto

    Energy Technology Data Exchange (ETDEWEB)

    Le Roux, Galo A.C.; Medeiros, Claudia Larini; Gatti, Anderson C. [Universidade de Sao Paulo (USP), SP (Brazil). Escola Politecnica

    2008-07-01

    The objective of this work is the implementation of a software that calculates the Simulated Distillation (SimDis) curve of a crude oil, according to ASTM D5307 (Standard Test Method for the Determination of Boiling Range Distribution of Crude Petroleum by Gas Chromatography). The software is based on the principle that the area of a chromatogram is proportional to the mass percent of crude oil recovered at a given retention time. The boiling points and retention times are correlated by a calibration curve. In order to make the software friendly windows were implemented, that are organized in a menu. Therefore the software turned up more easy to use and practical for the computation of Simulated Distillation Analysis. (author)

  14. Automation of the computational programs and codes used in the methodology of neutronic and thermohydraulic calculation for the IEA-R1 nuclear reactor

    International Nuclear Information System (INIS)

    Stefani, Giovanni Laranjo de

    2009-01-01

    This work proceeds the elaboration of a computational program for execution of various neutron and thermalhydraulic calculation methodology programs of the IEA-R1-Sao Paulo, Brazil, making the process more practical and safe, besides transforming de output data of each program an automatic process. This reactor is largely used for production of radioisotopes for medical use, material irradiation, personnel training and also for basic research. For that purposes it is necessary to change his core configuration in order to adapt the reactor for different uses. The work will transform various existent programs into subroutines of a principal program, i.e.,a program which call each of the programs automatically when necessary, and create another programs for manipulation the output data and therefore making practical the process

  15. Dual-energy imaging method to improve the image quality and the accuracy of dose calculation for cone-beam computed tomography.

    Science.gov (United States)

    Men, Kuo; Dai, Jianrong; Chen, Xinyuan; Li, Minghui; Zhang, Ke; Huang, Peng

    2017-04-01

    To improve the image quality and accuracy of dose calculation for cone-beam computed tomography (CT) images through implementation of a dual-energy cone-beam computed tomography method (DE-CBCT), and evaluate the improvement quantitatively. Two sets of CBCT projections were acquired using the X-ray volumetric imaging (XVI) system on a Synergy (Elekta, Stockholm, Sweden) system with 120kV (high) and 70kV (low) X-rays, respectively. Then, the electron density relative to water (relative electron density (RED)) of each voxel was calculated using a projection-based dual-energy decomposition method. As a comparison, single-energy cone-beam computed tomography (SE-CBCT) was used to calculate RED with the Hounsfield unit-RED calibration curve generated by a CIRS phantom scan with identical imaging parameters. The imaging dose was measured with a dosimetry phantom. The image quality was evaluated quantitatively using a Catphan 503 phantom with the evaluation indices of the reproducibility of the RED values, high-contrast resolution (MTF 50% ), uniformity, and signal-to-noise ratio (SNR). Dose calculation of two simulated volumetric-modulated arc therapy plans using an Eclipse treatment-planning system (Varian Medical Systems, Palo Alto, CA, USA) was performed on an Alderson Rando Head and Neck (H&N) phantom and a Pelvis phantom. Fan-beam planning CT images for the H&N and Pelvis phantom were set as the reference. A global three-dimensional gamma analysis was used to compare dose distributions with the reference. The average gamma values for targets and OAR were analyzed with paired t-tests between DE-CBCT and SE-CBCT. In two scans (H&N scan and body scan), the imaging dose of DE-CBCT increased by 1.0% and decreased by 1.3%. It had a better reproducibility of the RED values (mean bias: 0.03 and 0.07) compared with SE-CBCT (mean bias: 0.13 and 0.16). It also improved the image uniformity (57.5% and 30.1%) and SNR (9.7% and 2.3%), but did not affect the MTF 50% . Gamma

  16. COMPUTING

    CERN Multimedia

    P. McBride

    It has been a very active year for the computing project with strong contributions from members of the global community. The project has focused on site preparation and Monte Carlo production. The operations group has begun processing data from P5 as part of the global data commissioning. Improvements in transfer rates and site availability have been seen as computing sites across the globe prepare for large scale production and analysis as part of CSA07. Preparations for the upcoming Computing Software and Analysis Challenge CSA07 are progressing. Ian Fisk and Neil Geddes have been appointed as coordinators for the challenge. CSA07 will include production tests of the Tier-0 production system, reprocessing at the Tier-1 sites and Monte Carlo production at the Tier-2 sites. At the same time there will be a large analysis exercise at the Tier-2 centres. Pre-production simulation of the Monte Carlo events for the challenge is beginning. Scale tests of the Tier-0 will begin in mid-July and the challenge it...

  17. COMPUTING

    CERN Multimedia

    M. Kasemann

    Introduction During the past six months, Computing participated in the STEP09 exercise, had a major involvement in the October exercise and has been working with CMS sites on improving open issues relevant for data taking. At the same time operations for MC production, real data reconstruction and re-reconstructions and data transfers at large scales were performed. STEP09 was successfully conducted in June as a joint exercise with ATLAS and the other experiments. It gave good indication about the readiness of the WLCG infrastructure with the two major LHC experiments stressing the reading, writing and processing of physics data. The October Exercise, in contrast, was conducted as an all-CMS exercise, where Physics, Computing and Offline worked on a common plan to exercise all steps to efficiently access and analyze data. As one of the major results, the CMS Tier-2s demonstrated to be fully capable for performing data analysis. In recent weeks, efforts were devoted to CMS Computing readiness. All th...

  18. COMPUTING

    CERN Multimedia

    I. Fisk

    2011-01-01

    Introduction It has been a very active quarter in Computing with interesting progress in all areas. The activity level at the computing facilities, driven by both organised processing from data operations and user analysis, has been steadily increasing. The large-scale production of simulated events that has been progressing throughout the fall is wrapping-up and reprocessing with pile-up will continue. A large reprocessing of all the proton-proton data has just been released and another will follow shortly. The number of analysis jobs by users each day, that was already hitting the computing model expectations at the time of ICHEP, is now 33% higher. We are expecting a busy holiday break to ensure samples are ready in time for the winter conferences. Heavy Ion The Tier 0 infrastructure was able to repack and promptly reconstruct heavy-ion collision data. Two copies were made of the data at CERN using a large CASTOR disk pool, and the core physics sample was replicated ...

  19. COMPUTING

    CERN Multimedia

    I. Fisk

    2012-01-01

    Introduction Computing continued with a high level of activity over the winter in preparation for conferences and the start of the 2012 run. 2012 brings new challenges with a new energy, more complex events, and the need to make the best use of the available time before the Long Shutdown. We expect to be resource constrained on all tiers of the computing system in 2012 and are working to ensure the high-priority goals of CMS are not impacted. Heavy ions After a successful 2011 heavy-ion run, the programme is moving to analysis. During the run, the CAF resources were well used for prompt analysis. Since then in 2012 on average 200 job slots have been used continuously at Vanderbilt for analysis workflows. Operations Office As of 2012, the Computing Project emphasis has moved from commissioning to operation of the various systems. This is reflected in the new organisation structure where the Facilities and Data Operations tasks have been merged into a common Operations Office, which now covers everything ...

  20. COMPUTING

    CERN Multimedia

    M. Kasemann

    CCRC’08 challenges and CSA08 During the February campaign of the Common Computing readiness challenges (CCRC’08), the CMS computing team had achieved very good results. The link between the detector site and the Tier0 was tested by gradually increasing the number of parallel transfer streams well beyond the target. Tests covered the global robustness at the Tier0, processing a massive number of very large files and with a high writing speed to tapes.  Other tests covered the links between the different Tiers of the distributed infrastructure and the pre-staging and reprocessing capacity of the Tier1’s: response time, data transfer rate and success rate for Tape to Buffer staging of files kept exclusively on Tape were measured. In all cases, coordination with the sites was efficient and no serious problem was found. These successful preparations prepared the ground for the second phase of the CCRC’08 campaign, in May. The Computing Software and Analysis challen...

  1. COMPUTING

    CERN Multimedia

    I. Fisk

    2010-01-01

    Introduction The first data taking period of November produced a first scientific paper, and this is a very satisfactory step for Computing. It also gave the invaluable opportunity to learn and debrief from this first, intense period, and make the necessary adaptations. The alarm procedures between different groups (DAQ, Physics, T0 processing, Alignment/calibration, T1 and T2 communications) have been reinforced. A major effort has also been invested into remodeling and optimizing operator tasks in all activities in Computing, in parallel with the recruitment of new Cat A operators. The teams are being completed and by mid year the new tasks will have been assigned. CRB (Computing Resource Board) The Board met twice since last CMS week. In December it reviewed the experience of the November data-taking period and could measure the positive improvements made for the site readiness. It also reviewed the policy under which Tier-2 are associated with Physics Groups. Such associations are decided twice per ye...

  2. COMPUTING

    CERN Multimedia

    M. Kasemann

    Introduction More than seventy CMS collaborators attended the Computing and Offline Workshop in San Diego, California, April 20-24th to discuss the state of readiness of software and computing for collisions. Focus and priority were given to preparations for data taking and providing room for ample dialog between groups involved in Commissioning, Data Operations, Analysis and MC Production. Throughout the workshop, aspects of software, operating procedures and issues addressing all parts of the computing model were discussed. Plans for the CMS participation in STEP’09, the combined scale testing for all four experiments due in June 2009, were refined. The article in CMS Times by Frank Wuerthwein gave a good recap of the highly collaborative atmosphere of the workshop. Many thanks to UCSD and to the organizers for taking care of this workshop, which resulted in a long list of action items and was definitely a success. A considerable amount of effort and care is invested in the estimate of the co...

  3. Calculator calculus

    CERN Document Server

    McCarty, George

    1982-01-01

    How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en­ couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...

  4. Computer-assisted radiographic calculation of spinal curvature in brachycephalic "screw-tailed" dog breeds with congenital thoracic vertebral malformations: reliability and clinical evaluation.

    Directory of Open Access Journals (Sweden)

    Julien Guevar

    Full Text Available The objectives of this study were: To investigate computer-assisted digital radiographic measurement of Cobb angles in dogs with congenital thoracic vertebral malformations, to determine its intra- and inter-observer reliability and its association with the presence of neurological deficits. Medical records were reviewed (2009-2013 to identify brachycephalic screw-tailed dog breeds with radiographic studies of the thoracic vertebral column and with at least one vertebral malformation present. Twenty-eight dogs were included in the study. The end vertebrae were defined as the cranial end plate of the vertebra cranial to the malformed vertebra and the caudal end plate of the vertebra caudal to the malformed vertebra. Three observers performed the measurements twice. Intraclass correlation coefficients were used to calculate the intra- and inter-observer reliabilities. The intraclass correlation coefficient was excellent for all intra- and inter-observer measurements using this method. There was a significant difference in the kyphotic Cobb angle between dogs with and without associated neurological deficits. The majority of dogs with neurological deficits had a kyphotic Cobb angle higher than 35°. No significant difference in the scoliotic Cobb angle was observed. We concluded that the computer assisted digital radiographic measurement of the Cobb angle for kyphosis and scoliosis is a valid, reproducible and reliable method to quantify the degree of spinal curvature in brachycephalic screw-tailed dog breeds with congenital thoracic vertebral malformations.

  5. FastChem: A computer program for efficient complex chemical equilibrium calculations in the neutral/ionized gas phase with applications to stellar and planetary atmospheres

    Science.gov (United States)

    Stock, Joachim W.; Kitzmann, Daniel; Patzer, A. Beate C.; Sedlmayr, Erwin

    2018-06-01

    For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled nonlinear (and linear) algebraic equations, namely the law of mass action and the element conservation equations including charge balance, in many variables. Specifically, the system of equations is decomposed into a set of coupled nonlinear equations in one variable each, which are solved analytically whenever feasible to reduce computation time. Notably, the electron density is determined by using the method of Nelder and Mead at low temperatures. The program is written in object-oriented C++ which makes it easy to couple the code with other programs, although a stand-alone version is provided. FastChem can be used in parallel or sequentially and is available under the GNU General Public License version 3 at https://github.com/exoclime/FastChem together with several sample applications. The code has been successfully validated against previous studies and its convergence behavior has been tested even for extreme physical parameter ranges down to 100 K and up to 1000 bar. FastChem converges stable and robust in even most demanding chemical situations, which posed sometimes extreme challenges for previous algorithms.

  6. Clinical application of calculated split renal volume using computed tomography-based renal volumetry after partial nephrectomy: Correlation with technetium-99m dimercaptosuccinic acid renal scan data.

    Science.gov (United States)

    Lee, Chan Ho; Park, Young Joo; Ku, Ja Yoon; Ha, Hong Koo

    2017-06-01

    To evaluate the clinical application of computed tomography-based measurement of renal cortical volume and split renal volume as a single tool to assess the anatomy and renal function in patients with renal tumors before and after partial nephrectomy, and to compare the findings with technetium-99m dimercaptosuccinic acid renal scan. The data of 51 patients with a unilateral renal tumor managed by partial nephrectomy were retrospectively analyzed. The renal cortical volume of tumor-bearing and contralateral kidneys was measured using ImageJ software. Split estimated glomerular filtration rate and split renal volume calculated using this renal cortical volume were compared with the split renal function measured with technetium-99m dimercaptosuccinic acid renal scan. A strong correlation between split renal function and split renal volume of the tumor-bearing kidney was observed before and after surgery (r = 0.89, P volumetry had a strong correlation with the split renal function measured using technetium-99m dimercaptosuccinic acid renal scan. Computed tomography-based split renal volume measurement before and after partial nephrectomy can be used as a single modality for anatomical and functional assessment of the tumor-bearing kidney. © 2017 The Japanese Urological Association.

  7. Development of a model for the rational design of molecular imprinted polymer: Computational approach for combined molecular dynamics/quantum mechanics calculations

    International Nuclear Information System (INIS)

    Dong Cunku; Li Xin; Guo Zechong; Qi Jingyao

    2009-01-01

    A new rational approach for the preparation of molecularly imprinted polymer (MIP) based on the combination of molecular dynamics (MD) simulations and quantum mechanics (QM) calculations is described in this work. Before performing molecular modeling, a virtual library of functional monomers was created containing forty frequently used monomers. The MD simulations were first conducted to screen the top three monomers from virtual library in each porogen-acetonitrile, chloroform and carbon tetrachloride. QM simulations were then performed with an aim to select the optimum monomer and progen solvent in which the QM simulations were carried out; the monomers giving the highest binding energies were chosen as the candidate to prepare MIP in its corresponding solvent. The acetochlor, a widely used herbicide, was chosen as the target analyte. According to the theoretical calculation results, the MIP with acetochlor as template was prepared by emulsion polymerization method using N,N-methylene bisacrylamide (MBAAM) as functional monomer and divinylbenzene (DVB) as cross-linker in chloroform. The synthesized MIP was then tested by equilibrium-adsorption method, and the MIP demonstrated high removal efficiency to the acetochlor. Mulliken charge distribution and 1 H NMR spectroscopy of the synthesized MIP provided insight on the nature of recognition during the imprinting process probing the governing interactions for selective binding site formation at a molecular level. We think the computer simulation method first proposed in this paper is a novel and reliable method for the design and synthesis of MIP.

  8. Iodine concentration calculated by dual-energy computed tomography (DECT) as a functional parameter to evaluate thyroid metabolism in patients with hyperthyroidism.

    Science.gov (United States)

    Binh, Duong Duc; Nakajima, Takahito; Otake, Hidenori; Higuchi, Tetsuya; Tsushima, Yoshito

    2017-07-19

    Thyroid function in patients with Grave's disease is usually evaluated by thyroid scintigraphy with radioactive iodine. Recently, dual-energy computed tomography (DECT) with two different energy X-rays can calculate iodine concentrations and can be applied for iodine measurements in thyroid glands. This study aimed to assess the potential use of DECT for the functional assessment of the thyroid gland. Thirteen patients with Grave's disease treated at our hospital from May to September 2015 were included in this retrospective study. Before treatments, all subjects had undergone both iodine scintigraphy [three and 24 h after oral administration of 123 I (20 μCi)] and non-enhanced DECT. The region of interests (ROIs) were placed in both lobes of the thyroid glands, and CT values (HU: Hounsfield unit) and iodine concentrations (mg/mL) calculated from DECT images were measured. The correlation between CT values and iodine concentrations from DECT in the thyroid gland was evaluated and then the iodine concentrations were compared with radioactive iodine uptake ratios by thyroid scintigraphy. Mean (±SD) 123 I uptake increased from 46.3 (±22.2) % (range, 11.1-80.1) at 3 h, to 66.5 (±15.2) % (range, 40.0-86.1) at 24 h (p hyperthyroid patients.

  9. PYFLOW_2.0: a computer program for calculating flow properties and impact parameters of past dilute pyroclastic density currents based on field data

    Science.gov (United States)

    Dioguardi, Fabio; Mele, Daniela

    2018-03-01

    This paper presents PYFLOW_2.0, a hazard tool for the calculation of the impact parameters of dilute pyroclastic density currents (DPDCs). DPDCs represent the dilute turbulent type of gravity flows that occur during explosive volcanic eruptions; their hazard is the result of their mobility and the capability to laterally impact buildings and infrastructures and to transport variable amounts of volcanic ash along the path. Starting from data coming from the analysis of deposits formed by DPDCs, PYFLOW_2.0 calculates the flow properties (e.g., velocity, bulk density, thickness) and impact parameters (dynamic pressure, deposition time) at the location of the sampled outcrop. Given the inherent uncertainties related to sampling, laboratory analyses, and modeling assumptions, the program provides ranges of variations and probability density functions of the impact parameters rather than single specific values; from these functions, the user can interrogate the program to obtain the value of the computed impact parameter at any specified exceedance probability. In this paper, the sedimentological models implemented in PYFLOW_2.0 are presented, program functionalities are briefly introduced, and two application examples are discussed so as to show the capabilities of the software in quantifying the impact of the analyzed DPDCs in terms of dynamic pressure, volcanic ash concentration, and residence time in the atmosphere. The software and user's manual are made available as a downloadable electronic supplement.

  10. Cooperative and competitive concurrency in scientific computing. A full open-source upgrade of the program for dynamical calculations of RHEED intensity oscillations

    Science.gov (United States)

    Daniluk, Andrzej

    2011-06-01

    A computational model is a computer program, which attempts to simulate an abstract model of a particular system. Computational models use enormous calculations and often require supercomputer speed. As personal computers are becoming more and more powerful, more laboratory experiments can be converted into computer models that can be interactively examined by scientists and students without the risk and cost of the actual experiments. The future of programming is concurrent programming. The threaded programming model provides application programmers with a useful abstraction of concurrent execution of multiple tasks. The objective of this release is to address the design of architecture for scientific application, which may execute as multiple threads execution, as well as implementations of the related shared data structures. New version program summaryProgram title: GrowthCP Catalogue identifier: ADVL_v4_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVL_v4_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 32 269 No. of bytes in distributed program, including test data, etc.: 8 234 229 Distribution format: tar.gz Programming language: Free Object Pascal Computer: multi-core x64-based PC Operating system: Windows XP, Vista, 7 Has the code been vectorised or parallelized?: No RAM: More than 1 GB. The program requires a 32-bit or 64-bit processor to run the generated code. Memory is addressed using 32-bit (on 32-bit processors) or 64-bit (on 64-bit processors with 64-bit addressing) pointers. The amount of addressed memory is limited only by the available amount of virtual memory. Supplementary material: The figures mentioned in the "Summary of revisions" section can be obtained here. Classification: 4.3, 7.2, 6.2, 8, 14 External routines: Lazarus [1] Catalogue

  11. Improved tissue assignment using dual-energy computed tomography in low-dose rate prostate brachytherapy for Monte Carlo dose calculation

    Energy Technology Data Exchange (ETDEWEB)

    Côté, Nicolas [Département de Physique, Université de Montréal, Pavillon Roger-Gaudry (D-428), 2900 Boulevard Édouard-Montpetit, Montréal, Québec H3T 1J4 (Canada); Bedwani, Stéphane [Département de Radio-Oncologie, Centre Hospitalier de l’Université de Montréal (CHUM), 1560 Rue Sherbrooke Est, Montréal, Québec H2L 4M1 (Canada); Carrier, Jean-François, E-mail: jean-francois.carrier.chum@ssss.gouv.qc.ca [Département de Physique, Université de Montréal, Pavillon Roger-Gaudry (D-428), 2900 Boulevard Édouard-Montpetit, Montréal, Québec H3T 1J4, Canada and Département de Radio-Oncologie, Centre Hospitalier de l’Université de Montréal (CHUM), 1560 Rue Sherbrooke Est, Montréal, Québec H2L 4M1 (Canada)

    2016-05-15

    Purpose: An improvement in tissue assignment for low-dose rate brachytherapy (LDRB) patients using more accurate Monte Carlo (MC) dose calculation was accomplished with a metallic artifact reduction (MAR) method specific to dual-energy computed tomography (DECT). Methods: The proposed MAR algorithm followed a four-step procedure. The first step involved applying a weighted blend of both DECT scans (I {sub H/L}) to generate a new image (I {sub Mix}). This action minimized Hounsfield unit (HU) variations surrounding the brachytherapy seeds. In the second step, the mean HU of the prostate in I {sub Mix} was calculated and shifted toward the mean HU of the two original DECT images (I {sub H/L}). The third step involved smoothing the newly shifted I {sub Mix} and the two original I {sub H/L}, followed by a subtraction of both, generating an image that represented the metallic artifact (I {sub A,(H/L)}) of reduced noise levels. The final step consisted of subtracting the original I {sub H/L} from the newly generated I {sub A,(H/L)} and obtaining a final image corrected for metallic artifacts. Following the completion of the algorithm, a DECT stoichiometric method was used to extract the relative electronic density (ρ{sub e}) and effective atomic number (Z {sub eff}) at each voxel of the corrected scans. Tissue assignment could then be determined with these two newly acquired physical parameters. Each voxel was assigned the tissue bearing the closest resemblance in terms of ρ{sub e} and Z {sub eff}, comparing with values from the ICRU 42 database. A MC study was then performed to compare the dosimetric impacts of alternative MAR algorithms. Results: An improvement in tissue assignment was observed with the DECT MAR algorithm, compared to the single-energy computed tomography (SECT) approach. In a phantom study, tissue misassignment was found to reach 0.05% of voxels using the DECT approach, compared with 0.40% using the SECT method. Comparison of the DECT and SECT D

  12. COMPUTING

    CERN Multimedia

    2010-01-01

    Introduction Just two months after the “LHC First Physics” event of 30th March, the analysis of the O(200) million 7 TeV collision events in CMS accumulated during the first 60 days is well under way. The consistency of the CMS computing model has been confirmed during these first weeks of data taking. This model is based on a hierarchy of use-cases deployed between the different tiers and, in particular, the distribution of RECO data to T1s, who then serve data on request to T2s, along a topology known as “fat tree”. Indeed, during this period this model was further extended by almost full “mesh” commissioning, meaning that RECO data were shipped to T2s whenever possible, enabling additional physics analyses compared with the “fat tree” model. Computing activities at the CMS Analysis Facility (CAF) have been marked by a good time response for a load almost evenly shared between ALCA (Alignment and Calibration tasks - highest p...

  13. COMPUTING

    CERN Multimedia

    Contributions from I. Fisk

    2012-01-01

    Introduction The start of the 2012 run has been busy for Computing. We have reconstructed, archived, and served a larger sample of new data than in 2011, and we are in the process of producing an even larger new sample of simulations at 8 TeV. The running conditions and system performance are largely what was anticipated in the plan, thanks to the hard work and preparation of many people. Heavy ions Heavy Ions has been actively analysing data and preparing for conferences.  Operations Office Figure 6: Transfers from all sites in the last 90 days For ICHEP and the Upgrade efforts, we needed to produce and process record amounts of MC samples while supporting the very successful data-taking. This was a large burden, especially on the team members. Nevertheless the last three months were very successful and the total output was phenomenal, thanks to our dedicated site admins who keep the sites operational and the computing project members who spend countless hours nursing the...

  14. COMPUTING

    CERN Multimedia

    M. Kasemann

    Introduction A large fraction of the effort was focused during the last period into the preparation and monitoring of the February tests of Common VO Computing Readiness Challenge 08. CCRC08 is being run by the WLCG collaboration in two phases, between the centres and all experiments. The February test is dedicated to functionality tests, while the May challenge will consist of running at all centres and with full workflows. For this first period, a number of functionality checks of the computing power, data repositories and archives as well as network links are planned. This will help assess the reliability of the systems under a variety of loads, and identifying possible bottlenecks. Many tests are scheduled together with other VOs, allowing the full scale stress test. The data rates (writing, accessing and transfer¬ring) are being checked under a variety of loads and operating conditions, as well as the reliability and transfer rates of the links between Tier-0 and Tier-1s. In addition, the capa...

  15. COMPUTING

    CERN Multimedia

    Matthias Kasemann

    Overview The main focus during the summer was to handle data coming from the detector and to perform Monte Carlo production. The lessons learned during the CCRC and CSA08 challenges in May were addressed by dedicated PADA campaigns lead by the Integration team. Big improvements were achieved in the stability and reliability of the CMS Tier1 and Tier2 centres by regular and systematic follow-up of faults and errors with the help of the Savannah bug tracking system. In preparation for data taking the roles of a Computing Run Coordinator and regular computing shifts monitoring the services and infrastructure as well as interfacing to the data operations tasks are being defined. The shift plan until the end of 2008 is being put together. User support worked on documentation and organized several training sessions. The ECoM task force delivered the report on “Use Cases for Start-up of pp Data-Taking” with recommendations and a set of tests to be performed for trigger rates much higher than the ...

  16. COMPUTING

    CERN Multimedia

    P. MacBride

    The Computing Software and Analysis Challenge CSA07 has been the main focus of the Computing Project for the past few months. Activities began over the summer with the preparation of the Monte Carlo data sets for the challenge and tests of the new production system at the Tier-0 at CERN. The pre-challenge Monte Carlo production was done in several steps: physics generation, detector simulation, digitization, conversion to RAW format and the samples were run through the High Level Trigger (HLT). The data was then merged into three "Soups": Chowder (ALPGEN), Stew (Filtered Pythia) and Gumbo (Pythia). The challenge officially started when the first Chowder events were reconstructed on the Tier-0 on October 3rd. The data operations teams were very busy during the the challenge period. The MC production teams continued with signal production and processing while the Tier-0 and Tier-1 teams worked on splitting the Soups into Primary Data Sets (PDS), reconstruction and skimming. The storage sys...

  17. COMPUTING

    CERN Multimedia

    I. Fisk

    2013-01-01

    Computing operation has been lower as the Run 1 samples are completing and smaller samples for upgrades and preparations are ramping up. Much of the computing activity is focusing on preparations for Run 2 and improvements in data access and flexibility of using resources. Operations Office Data processing was slow in the second half of 2013 with only the legacy re-reconstruction pass of 2011 data being processed at the sites.   Figure 1: MC production and processing was more in demand with a peak of over 750 Million GEN-SIM events in a single month.   Figure 2: The transfer system worked reliably and efficiently and transferred on average close to 520 TB per week with peaks at close to 1.2 PB.   Figure 3: The volume of data moved between CMS sites in the last six months   The tape utilisation was a focus for the operation teams with frequent deletion campaigns from deprecated 7 TeV MC GEN-SIM samples to INVALID datasets, which could be cleaned up...

  18. COMPUTING

    CERN Multimedia

    I. Fisk

    2012-01-01

      Introduction Computing activity has been running at a sustained, high rate as we collect data at high luminosity, process simulation, and begin to process the parked data. The system is functional, though a number of improvements are planned during LS1. Many of the changes will impact users, we hope only in positive ways. We are trying to improve the distributed analysis tools as well as the ability to access more data samples more transparently.  Operations Office Figure 2: Number of events per month, for 2012 Since the June CMS Week, Computing Operations teams successfully completed data re-reconstruction passes and finished the CMSSW_53X MC campaign with over three billion events available in AOD format. Recorded data was successfully processed in parallel, exceeding 1.2 billion raw physics events per month for the first time in October 2012 due to the increase in data-parking rate. In parallel, large efforts were dedicated to WMAgent development and integrati...

  19. Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations

    Science.gov (United States)

    Parkhurst, David L.; Appelo, C.A.J.

    2013-01-01

    PHREEQC version 3 is a computer program written in the C and C++ programming languages that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC implements several types of aqueous models: two ion-association aqueous models (the Lawrence Livermore National Laboratory model and WATEQ4F), a Pitzer specific-ion-interaction aqueous model, and the SIT (Specific ion Interaction Theory) aqueous model. Using any of these aqueous models, PHREEQC has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters within specified compositional uncertainty limits. Many new modeling features were added to PHREEQC version 3 relative to version 2. The Pitzer aqueous model (pitzer.dat database, with keyword PITZER) can be used for high-salinity waters that are beyond the range of application for the Debye-Hückel theory. The Peng-Robinson equation of state has been implemented for calculating the solubility of gases at high pressure. Specific volumes of aqueous species are calculated as a function of the dielectric properties of water and the ionic strength of the solution, which allows calculation of pressure effects on chemical reactions and the density of a solution. The specific conductance and the density of a solution are calculated and printed in the output file. In addition to Runge-Kutta integration, a stiff ordinary differential equation solver (CVODE) has been included for kinetic calculations with multiple rates that occur at widely different time scales

  20. URR [Unresolved Resonance Region] computer code: A code to calculate resonance neutron cross-section probability tables, Bondarenko self-shielding factors, and self-indication ratios for fissile and fertile nuclides

    International Nuclear Information System (INIS)

    Leal, L.C.; de Saussure, G.; Perez, R.B.

    1990-01-01

    The URR computer code has been developed to calculate cross-section probability tables, Bondarenko self-shielding factors, and self-indication ratios for fertile and fissile isotopes in the unresolved resonance region. Monte Carlo methods are utilized to select appropriate resonance parameters and to compute the cross sections at the desired reference energy. The neutron cross sections are calculated by the single-level Breit-Wigner formalism with s-, p-, and d-wave contributions. The cross-section probability tables are constructed by sampling by Doppler broadened cross-sections. The various self-shielding factors are computer numerically as Lebesgue integrals over the cross-section probability tables