WorldWideScience

Sample records for geometry optimization calculation

  1. Geometry optimization of supersymmetrical molecules in quantum chemical ab-initio calculations

    International Nuclear Information System (INIS)

    Gruenbichler, H.

    1985-01-01

    One-dimensional geometry optimizations in ab-initio SCF-calculations are investigated. It is shown, that the well known standard algorithms are sometimes too expensive and can be replaced or accompanied by more recent algorithms. Two alternatives were realized in the molecule calculating program GAUSSIAN 80, basing on the Fibonacci algorithm and Kryachco potential adjustment. The algorithms were compared in terms of accuracy of results, CPU-time used and reliability of the method. The results are presented in various tables, showing the efficiency of the various methods. A survey of the usual model potentials is given and the compatibility with ab-initio data is evaluated. (Author, shortened and translated by A.N.)

  2. Multilevel geometry optimization

    Science.gov (United States)

    Rodgers, Jocelyn M.; Fast, Patton L.; Truhlar, Donald G.

    2000-02-01

    Geometry optimization has been carried out for three test molecules using six multilevel electronic structure methods, in particular Gaussian-2, Gaussian-3, multicoefficient G2, multicoefficient G3, and two multicoefficient correlation methods based on correlation-consistent basis sets. In the Gaussian-2 and Gaussian-3 methods, various levels are added and subtracted with unit coefficients, whereas the multicoefficient Gaussian-x methods involve noninteger parameters as coefficients. The multilevel optimizations drop the average error in the geometry (averaged over the 18 cases) by a factor of about two when compared to the single most expensive component of a given multilevel calculation, and in all 18 cases the accuracy of the atomization energy for the three test molecules improves; with an average improvement of 16.7 kcal/mol.

  3. Multilevel geometry optimization

    Energy Technology Data Exchange (ETDEWEB)

    Rodgers, Jocelyn M. [Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 (United States); Fast, Patton L. [Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 (United States); Truhlar, Donald G. [Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 (United States)

    2000-02-15

    Geometry optimization has been carried out for three test molecules using six multilevel electronic structure methods, in particular Gaussian-2, Gaussian-3, multicoefficient G2, multicoefficient G3, and two multicoefficient correlation methods based on correlation-consistent basis sets. In the Gaussian-2 and Gaussian-3 methods, various levels are added and subtracted with unit coefficients, whereas the multicoefficient Gaussian-x methods involve noninteger parameters as coefficients. The multilevel optimizations drop the average error in the geometry (averaged over the 18 cases) by a factor of about two when compared to the single most expensive component of a given multilevel calculation, and in all 18 cases the accuracy of the atomization energy for the three test molecules improves; with an average improvement of 16.7 kcal/mol. (c) 2000 American Institute of Physics.

  4. Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo

    Science.gov (United States)

    Motta, Mario; Zhang, Shiwei

    2018-05-01

    We propose an algorithm for accurate, systematic, and scalable computation of interatomic forces within the auxiliary-field quantum Monte Carlo (AFQMC) method. The algorithm relies on the Hellmann-Feynman theorem and incorporates Pulay corrections in the presence of atomic orbital basis sets. We benchmark the method for small molecules by comparing the computed forces with the derivatives of the AFQMC potential energy surface and by direct comparison with other quantum chemistry methods. We then perform geometry optimizations using the steepest descent algorithm in larger molecules. With realistic basis sets, we obtain equilibrium geometries in agreement, within statistical error bars, with experimental values. The increase in computational cost for computing forces in this approach is only a small prefactor over that of calculating the total energy. This paves the way for a general and efficient approach for geometry optimization and molecular dynamics within AFQMC.

  5. Optimizing solar-cell grid geometry

    Science.gov (United States)

    Crossley, A. P.

    1969-01-01

    Trade-off analysis and mathematical expressions calculate optimum grid geometry in terms of various cell parameters. Determination of the grid geometry provides proper balance between grid resistance and cell output to optimize the energy conversion process.

  6. CBM RICH geometry optimization

    Energy Technology Data Exchange (ETDEWEB)

    Mahmoud, Tariq; Hoehne, Claudia [II. Physikalisches Institut, Giessen Univ. (Germany); Collaboration: CBM-Collaboration

    2016-07-01

    The Compressed Baryonic Matter (CBM) experiment at the future FAIR complex will investigate the phase diagram of strongly interacting matter at high baryon density and moderate temperatures in A+A collisions from 2-11 AGeV (SIS100) beam energy. The main electron identification detector in the CBM experiment will be a RICH detector with a CO{sub 2} gaseous-radiator, focusing spherical glass mirrors, and MAPMT photo-detectors being placed on a PMT-plane. The RICH detector is located directly behind the CBM dipole magnet. As the final magnet geometry is now available, some changes in the RICH geometry become necessary. In order to guarantee a magnetic field of 1 mT at maximum in the PMT plane for effective operation of the MAPMTs, two measures have to be taken: The PMT plane is moved outwards of the stray field by tilting the mirrors by 10 degrees and shielding boxes have been designed. In this contribution the results of the geometry optimization procedure are presented.

  7. Derivation of Reliable Geometries in QM Calculations of DNA Structures: Explicit Solvent QM/MM and Restrained Implicit Solvent QM Optimizations of G-Quadruplexes.

    Science.gov (United States)

    Gkionis, Konstantinos; Kruse, Holger; Šponer, Jiří

    2016-04-12

    Modern dispersion-corrected DFT methods have made it possible to perform reliable QM studies on complete nucleic acid (NA) building blocks having hundreds of atoms. Such calculations, although still limited to investigations of potential energy surfaces, enhance the portfolio of computational methods applicable to NAs and offer considerably more accurate intrinsic descriptions of NAs than standard MM. However, in practice such calculations are hampered by the use of implicit solvent environments and truncation of the systems. Conventional QM optimizations are spoiled by spurious intramolecular interactions and severe structural deformations. Here we compare two approaches designed to suppress such artifacts: partially restrained continuum solvent QM and explicit solvent QM/MM optimizations. We report geometry relaxations of a set of diverse double-quartet guanine quadruplex (GQ) DNA stems. Both methods provide neat structures without major artifacts. However, each one also has distinct weaknesses. In restrained optimizations, all errors in the target geometries (i.e., low-resolution X-ray and NMR structures) are transferred to the optimized geometries. In QM/MM, the initial solvent configuration causes some heterogeneity in the geometries. Nevertheless, both approaches represent a decisive step forward compared to conventional optimizations. We refine earlier computations that revealed sizable differences in the relative energies of GQ stems computed with AMBER MM and QM. We also explore the dependence of the QM/MM results on the applied computational protocol.

  8. Surrogate Modeling for Geometry Optimization

    DEFF Research Database (Denmark)

    Rojas Larrazabal, Marielba de la Caridad; Abraham, Yonas; Holzwarth, Natalie

    2009-01-01

    A new approach for optimizing the nuclear geometry of an atomic system is described. Instead of the original expensive objective function (energy functional), a small number of simpler surrogates is used.......A new approach for optimizing the nuclear geometry of an atomic system is described. Instead of the original expensive objective function (energy functional), a small number of simpler surrogates is used....

  9. Sub-Riemannian geometry and optimal transport

    CERN Document Server

    Rifford, Ludovic

    2014-01-01

    The book provides an introduction to sub-Riemannian geometry and optimal transport and presents some of the recent progress in these two fields. The text is completely self-contained: the linear discussion, containing all the proofs of the stated results, leads the reader step by step from the notion of distribution at the very beginning to the existence of optimal transport maps for Lipschitz sub-Riemannian structure. The combination of geometry presented from an analytic point of view and of optimal transport, makes the book interesting for a very large community. This set of notes grew from a series of lectures given by the author during a CIMPA school in Beirut, Lebanon.

  10. Methodology for wind turbine blade geometry optimization

    Energy Technology Data Exchange (ETDEWEB)

    Perfiliev, D.

    2013-11-01

    Nowadays, the upwind three bladed horizontal axis wind turbine is the leading player on the market. It has been found to be the best industrial compromise in the range of different turbine constructions. The current wind industry innovation is conducted in the development of individual turbine components. The blade constitutes 20-25% of the overall turbine budget. Its optimal operation in particular local economic and wind conditions is worth investigating. The blade geometry, namely the chord, twist and airfoil type distributions along the span, responds to the output measures of the blade performance. Therefore, the optimal wind blade geometry can improve the overall turbine performance. The objectives of the dissertation are focused on the development of a methodology and specific tool for the investigation of possible existing wind blade geometry adjustments. The novelty of the methodology presented in the thesis is the multiobjective perspective on wind blade geometry optimization, particularly taking simultaneously into account the local wind conditions and the issue of aerodynamic noise emissions. The presented optimization objective approach has not been investigated previously for the implementation in wind blade design. The possibilities to use different theories for the analysis and search procedures are investigated and sufficient arguments derived for the usage of proposed theories. The tool is used for the test optimization of a particular wind turbine blade. The sensitivity analysis shows the dependence of the outputs on the provided inputs, as well as its relative and absolute divergences and instabilities. The pros and cons of the proposed technique are seen from the practical implementation, which is documented in the results, analysis and conclusion sections. (orig.)

  11. Gaussian process regression for geometry optimization

    Science.gov (United States)

    Denzel, Alexander; Kästner, Johannes

    2018-03-01

    We implemented a geometry optimizer based on Gaussian process regression (GPR) to find minimum structures on potential energy surfaces. We tested both a two times differentiable form of the Matérn kernel and the squared exponential kernel. The Matérn kernel performs much better. We give a detailed description of the optimization procedures. These include overshooting the step resulting from GPR in order to obtain a higher degree of interpolation vs. extrapolation. In a benchmark against the Limited-memory Broyden-Fletcher-Goldfarb-Shanno optimizer of the DL-FIND library on 26 test systems, we found the new optimizer to generally reduce the number of required optimization steps.

  12. Calculating Optimal Inventory Size

    Directory of Open Access Journals (Sweden)

    Ruby Perez

    2010-01-01

    Full Text Available The purpose of the project is to find the optimal value for the Economic Order Quantity Model and then use a lean manufacturing Kanban equation to find a numeric value that will minimize the total cost and the inventory size.

  13. A Proposal on the Geometry Splitting Strategy to Enhance the Calculation Efficiency in Monte Carlo Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Han, Gi Yeong; Kim, Song Hyun; Kim, Do Hyun; Shin, Chang Ho; Kim, Jong Kyung [Hanyang Univ., Seoul (Korea, Republic of)

    2014-05-15

    In this study, how the geometry splitting strategy affects the calculation efficiency was analyzed. In this study, a geometry splitting method was proposed to increase the calculation efficiency in Monte Carlo simulation. First, the analysis of the neutron distribution characteristics in a deep penetration problem was performed. Then, considering the neutron population distribution, a geometry splitting method was devised. Using the proposed method, the FOMs with benchmark problems were estimated and compared with the conventional geometry splitting strategy. The results show that the proposed method can considerably increase the calculation efficiency in using geometry splitting method. It is expected that the proposed method will contribute to optimizing the computational cost as well as reducing the human errors in Monte Carlo simulation. Geometry splitting in Monte Carlo (MC) calculation is one of the most popular variance reduction techniques due to its simplicity, reliability and efficiency. For the use of the geometry splitting, the user should determine locations of geometry splitting and assign the relative importance of each region. Generally, the splitting parameters are decided by the user's experience. However, in this process, the splitting parameters can ineffectively or erroneously be selected. In order to prevent it, there is a recommendation to help the user eliminate guesswork, which is to split the geometry evenly. And then, the importance is estimated by a few iterations for preserving population of particle penetrating each region. However, evenly geometry splitting method can make the calculation inefficient due to the change in mean free path (MFP) of particles.

  14. A Proposal on the Geometry Splitting Strategy to Enhance the Calculation Efficiency in Monte Carlo Simulation

    International Nuclear Information System (INIS)

    Han, Gi Yeong; Kim, Song Hyun; Kim, Do Hyun; Shin, Chang Ho; Kim, Jong Kyung

    2014-01-01

    In this study, how the geometry splitting strategy affects the calculation efficiency was analyzed. In this study, a geometry splitting method was proposed to increase the calculation efficiency in Monte Carlo simulation. First, the analysis of the neutron distribution characteristics in a deep penetration problem was performed. Then, considering the neutron population distribution, a geometry splitting method was devised. Using the proposed method, the FOMs with benchmark problems were estimated and compared with the conventional geometry splitting strategy. The results show that the proposed method can considerably increase the calculation efficiency in using geometry splitting method. It is expected that the proposed method will contribute to optimizing the computational cost as well as reducing the human errors in Monte Carlo simulation. Geometry splitting in Monte Carlo (MC) calculation is one of the most popular variance reduction techniques due to its simplicity, reliability and efficiency. For the use of the geometry splitting, the user should determine locations of geometry splitting and assign the relative importance of each region. Generally, the splitting parameters are decided by the user's experience. However, in this process, the splitting parameters can ineffectively or erroneously be selected. In order to prevent it, there is a recommendation to help the user eliminate guesswork, which is to split the geometry evenly. And then, the importance is estimated by a few iterations for preserving population of particle penetrating each region. However, evenly geometry splitting method can make the calculation inefficient due to the change in mean free path (MFP) of particles

  15. Presentation of geometries and transient results of TRAC-calculations

    International Nuclear Information System (INIS)

    Lutz, A.; Lang, U.; Ruehle, R.

    1985-02-01

    The computer code TRAC is used to analyze the transient behaviour of nuclear reactors. The input of a TRAC-Calculation, as well as the produced result files serve for the graphical presentation of the geometries and transient results. This supports the search for errors during input generation and the understanding of complex processes by dynamic presentation of calculational result in colour. (orig.) [de

  16. Parameters calculation of fuel assembly with complex geometry

    International Nuclear Information System (INIS)

    Wu Hongchun; Ju Haitao; Yao Dong

    2006-01-01

    The code DRAGON was developed for CANDU reactor by Ecole Polytechnique de Montreal of Canada. In order to validate the DRAGON code's applicability for complex geometry fuel assembly calculation, the rod shape fuel assembly of PWR benchmark problem and the plate shape fuel assembly of MTR benchmark problem were analyzed by DRAGON code. Some other shape fuel assemblies were also discussed simply. Calculation results show that the DRAGON code can be used to calculate variform fuel assembly and the precision is high. (authors)

  17. Ring rolling process simulation for geometry optimization

    Science.gov (United States)

    Franchi, Rodolfo; Del Prete, Antonio; Donatiello, Iolanda; Calabrese, Maurizio

    2017-10-01

    Ring Rolling is a complex hot forming process where different rolls are involved in the production of seamless rings. Since each roll must be independently controlled, different speed laws must be set; usually, in the industrial environment, a milling curve is introduced to monitor the shape of the workpiece during the deformation in order to ensure the correct ring production. In the present paper a ring rolling process has been studied and optimized in order to obtain anular components to be used in aerospace applications. In particular, the influence of process input parameters (feed rate of the mandrel and angular speed of main roll) on geometrical features of the final ring has been evaluated. For this purpose, a three-dimensional finite element model for HRR (Hot Ring Rolling) has been implemented in SFTC DEFORM V11. The FEM model has been used to formulate a proper optimization problem. The optimization procedure has been implemented in the commercial software DS ISight in order to find the combination of process parameters which allows to minimize the percentage error of each obtained dimension with respect to its nominal value. The software allows to find the relationship between input and output parameters applying Response Surface Methodology (RSM), by using the exact values of output parameters in the control points of the design space explored through FEM simulation. Once this relationship is known, the values of the output parameters can be calculated for each combination of the input parameters. After the calculation of the response surfaces for the selected output parameters, an optimization procedure based on Genetic Algorithms has been applied. At the end, the error between each obtained dimension and its nominal value has been minimized. The constraints imposed were the maximum values of standard deviations of the dimensions obtained for the final ring.

  18. Robust volume calculations for Constructive Solid Geometry (CSG) components in Monte Carlo transport calculations

    Energy Technology Data Exchange (ETDEWEB)

    Millman, D. L. [Dept. of Computer Science, Univ. of North Carolina at Chapel Hill (United States); Griesheimer, D. P.; Nease, B. R. [Bechtel Marine Propulsion Corporation, Bertis Atomic Power Laboratory (United States); Snoeyink, J. [Dept. of Computer Science, Univ. of North Carolina at Chapel Hill (United States)

    2012-07-01

    In this paper we consider a new generalized algorithm for the efficient calculation of component object volumes given their equivalent constructive solid geometry (CSG) definition. The new method relies on domain decomposition to recursively subdivide the original component into smaller pieces with volumes that can be computed analytically or stochastically, if needed. Unlike simpler brute-force approaches, the proposed decomposition scheme is guaranteed to be robust and accurate to within a user-defined tolerance. The new algorithm is also fully general and can handle any valid CSG component definition, without the need for additional input from the user. The new technique has been specifically optimized to calculate volumes of component definitions commonly found in models used for Monte Carlo particle transport simulations for criticality safety and reactor analysis applications. However, the algorithm can be easily extended to any application which uses CSG representations for component objects. The paper provides a complete description of the novel volume calculation algorithm, along with a discussion of the conjectured error bounds on volumes calculated within the method. In addition, numerical results comparing the new algorithm with a standard stochastic volume calculation algorithm are presented for a series of problems spanning a range of representative component sizes and complexities. (authors)

  19. Robust volume calculations for Constructive Solid Geometry (CSG) components in Monte Carlo transport calculations

    International Nuclear Information System (INIS)

    Millman, D. L.; Griesheimer, D. P.; Nease, B. R.; Snoeyink, J.

    2012-01-01

    In this paper we consider a new generalized algorithm for the efficient calculation of component object volumes given their equivalent constructive solid geometry (CSG) definition. The new method relies on domain decomposition to recursively subdivide the original component into smaller pieces with volumes that can be computed analytically or stochastically, if needed. Unlike simpler brute-force approaches, the proposed decomposition scheme is guaranteed to be robust and accurate to within a user-defined tolerance. The new algorithm is also fully general and can handle any valid CSG component definition, without the need for additional input from the user. The new technique has been specifically optimized to calculate volumes of component definitions commonly found in models used for Monte Carlo particle transport simulations for criticality safety and reactor analysis applications. However, the algorithm can be easily extended to any application which uses CSG representations for component objects. The paper provides a complete description of the novel volume calculation algorithm, along with a discussion of the conjectured error bounds on volumes calculated within the method. In addition, numerical results comparing the new algorithm with a standard stochastic volume calculation algorithm are presented for a series of problems spanning a range of representative component sizes and complexities. (authors)

  20. DIGA/NSL new calculational model in slab geometry

    International Nuclear Information System (INIS)

    Makai, M.; Gado, J.; Kereszturi, A.

    1987-04-01

    A new calculational model is presented based on a modified finite-difference algorithm, in which the coefficients are determined by means of the so-called gamma matrices. The DIGA program determines the gamma matrices and the NSL program realizes the modified finite difference model. Both programs assume slab cell geometry, DIGA assumes 2 energy groups and 3 diffusive regions. The DIGA/NSL programs serve to study the new calculational model. (author)

  1. From combinatorial optimization to real algebraic geometry and back

    Directory of Open Access Journals (Sweden)

    Janez Povh

    2014-12-01

    Full Text Available In this paper, we explain the relations between combinatorial optimization and real algebraic geometry with a special focus to the quadratic assignment problem. We demonstrate how to write a quadratic optimization problem over discrete feasible set as a linear optimization problem over the cone of completely positive matrices. The latter formulation enables a hierarchy of approximations which rely on results from polynomial optimization, a sub-eld of real algebraic geometry.

  2. Loading pattern optimization in hexagonal geometry using PANTHER

    International Nuclear Information System (INIS)

    Parks, G.T.; Knight, M.P.

    1996-01-01

    The extension of the loading pattern optimization capability of Nuclear Electric's reactor physics code PANTHER to hexagonal geometry cores is described. The variety of search methods available and the code's performance are illustrated by an example in which three search different methods are used in turn in order to find an optimal reload design for a sample hexagonal geometry problem. (author)

  3. Numerical optimization of laboratory combustor geometry for NO suppression

    International Nuclear Information System (INIS)

    Mazaheri, Karim; Shakeri, Alireza

    2016-01-01

    Highlights: • A five-step kinetics for NO and CO prediction is extracted from GRI-3.0 mechanism. • Accuracy and applicability of this kinetics for numerical optimization were shown. • Optimized geometry for a combustor was determined using the combined process. • NO emission from optimized geometry is found 10.3% lower than the basis geometry. - Abstract: In this article, geometry optimization of a jet stirred reactor (JSR) combustor has been carried out for minimum NO emissions in methane oxidation using a combined numerical algorithm based on computational fluid dynamics (CFD) and differential evolution (DE) optimization. The optimization algorithm is also used to find a fairly accurate reduced mechanism. The combustion kinetics is based on a five-step mechanism with 17 unknowns which is obtained using an optimization DE algorithm for a PSR–PFR reactor based on GRI-3.0 full mechanism. The optimization design variables are the unknowns of the five-step mechanism and the cost function is the concentration difference of pollutants obtained from the 5-step mechanism and the full mechanism. To validate the flow solver and the chemical kinetics, the computed NO at the outlet of the JSR is compared with experiments. To optimize the geometry of a combustor, the JSR combustor geometry is modeled using three parameters (i.e., design variables). An integrated approach using a flow solver and the DE optimization algorithm produces the lowest NO concentrations. Results show that the exhaust NO emission for the optimized geometry is 10.3% lower than the original geometry, while the inlet temperature of the working fluid and the concentration of O_2 are operating constraints. In addition, the concentration of CO pollutant is also much less than the original chamber.

  4. Monte Carlo calculation of Dancoff factors in irregular geometries

    International Nuclear Information System (INIS)

    Feher, S.; Hoogenboom, J.E.; Leege, P.F.A. de; Valko, J.

    1994-01-01

    A Monte Carlo program is described that calculates Dancoff factors in arbitrary arrangements of cylindrical or spherical fuel elements. The fuel elements can have different diameters and material compositions, and they are allowed to be black or partially transparent. Calculations of the Dancoff factor is based on its collision probability definition. The Monte Carlo approach is recommended because it is equally applicable in simple and in complicated geometries. It is shown that some of the commonly used algorithms are inaccurate even in infinite regular lattices. An example of application includes the Canada deuterium uranium (CANDU) 37-pin fuel bundle, which requires different Dancoff factors for the symmetrically different fuel pin positions

  5. Numerical optimization of die geometry in open die forging

    DEFF Research Database (Denmark)

    Christiansen, Peter; Hattel, Jesper Henri; Bay, Niels

    2013-01-01

    This paper deals with numerical optimization of open die forging of large metallic ingots made by casting implying risk of defects, e.g. central pores. Different material hardening properties and die geometries are combined in order to investigate, which geometry gives rise to maximum closure...

  6. RADSHI: shielding calculation program for different geometries sources

    International Nuclear Information System (INIS)

    Gelen, A.; Alvarez, I.; Lopez, H.; Manso, M.

    1996-01-01

    A computer code written in pascal language for IBM/Pc is described. The program calculates the optimum thickness of slab shield for different geometries sources. The Point Kernel Method is employed, which enables the obtention of the ionizing radiation flux density. The calculation takes into account the possibility of self-absorption in the source. The air kerma rate for gamma radiation is determined, and with the concept of attenuation length through the equivalent attenuation length the shield is obtained. The scattering and the exponential attenuation inside the shield material is considered in the program. The shield materials can be: concrete, water, iron or lead. It also calculates the shield for point isotropic neutron source, using as shield materials paraffin, concrete or water. (authors). 13 refs

  7. Geometry modeling for SAM-CE Monte Carlo calculations

    International Nuclear Information System (INIS)

    Steinberg, H.A.; Troubetzkoy, E.S.

    1980-01-01

    Three geometry packages have been developed and incorporated into SAM-CE, for representing in three dimensions the transport medium. These are combinatorial geometry - a general (non-lattice) system, complex combinatorial geometry - a very general system with lattice capability, and special reactor geometry - a special purpose system for light water reactor geometries. Their different attributes are described

  8. Shield calculations, optimization vs. paradigm

    International Nuclear Information System (INIS)

    Cornejo D, N.; Hernandez S, A.; Martinez G, A.

    2006-01-01

    Many shieldings have been designed under the criteria of 'Maximum dose rates of project'. It has created the paradigm of those 'low dose rates', for the one which not few specialists would consider unacceptable levels of dose rate superior to the units of μSv.h -1 , independently of the exposure times. At the present time numerous shieldings are being designed considering dose restrictions in real times of exposure. After these new shieldings, the dose rates could be notably superior to those after traditional shieldings, without it implies inadequate designs or constructive errors. In the work significant differences in levels of dose rates and thickness of shieldings estimated by both methods for some typical facilities. It was concluded that the use of real times of exposure is more adequate for the optimization of the Radiological Protection, although this method demands bigger care in its application. (Author)

  9. Calculations of NTM stabilization in ITER-FEAT by ECCD with realistic antenna geometry

    International Nuclear Information System (INIS)

    Ramponi, G.; Nowak, S.; Lazzaro, E.; Giruzzi, G.; Bosia, G.

    2001-01-01

    Neoclassical Tearing Modes stabilization is one of the main purposes for the implementation of an Electron Cyclotron Current Drive system on ITER-FEAT. Previous estimates have shown that a wave power level of 20-30 MW should be appropriate for a substantial reduction of the (3,2) and/or (2,1) modes. Here detailed calculations are presented combining, for the first time, the following elements: i) realistic antenna geometry resulting from detailed study of the implementation in an ITER upper port; ii) Gaussian beam-tracing calculations; iii) 3D Fokker-Planck calculations of the driven current density profile; iv) island evolution calculation, including island rotation effects. The power level necessary for complete stabilization of NTMs is evaluated for the ITER FEAT reference scenarios and the chosen wave frequency of 170 GHz. Optimization as a function of the injection poloidal and toroidal angles is discussed

  10. Shielding calculations. Optimization vs. Paradigms

    International Nuclear Information System (INIS)

    Cornejo Diaz, Nestor; Hernandez Saiz, Alejandro; Martinez Gonzalez, Alina

    2005-01-01

    Many radiation shielding barriers in Cuba have been designed according to the criterion of Maxi-mum Projected Dose Rates. This fact has created the paradigm of low dose rates. Because of this, dose rate levels greater than units of Sv.h-1 would be considered unacceptable by many specialists, regardless of the real exposure times. Nowadays many shielding barriers are being designed using dose constraints in real exposure times. Behind the new barriers, dose rates could be notably greater than those behind the traditional ones, and it does not imply inadequate designs or constructive errors. In this work were obtained significant differences in dose rate levels and shield-ing thicknesses calculated by both methods for some typical installations. The work concludes that real exposure time approach is more adequate in order to optimise Radiation Protection, although this method should be carefully applied

  11. Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids

    Science.gov (United States)

    Rybinska, Anna; Sosnowska, Anita; Barycki, Maciej; Puzyn, Tomasz

    2016-02-01

    Computational techniques, such as Quantitative Structure-Property Relationship (QSPR) modeling, are very useful in predicting physicochemical properties of various chemicals. Building QSPR models requires calculating molecular descriptors and the proper choice of the geometry optimization method, which will be dedicated to specific structure of tested compounds. Herein, we examine the influence of the ionic liquids' (ILs) geometry optimization methods on the predictive ability of QSPR models by comparing three models. The models were developed based on the same experimental data on density collected for 66 ionic liquids, but with employing molecular descriptors calculated from molecular geometries optimized at three different levels of the theory, namely: (1) semi-empirical (PM7), (2) ab initio (HF/6-311+G*) and (3) density functional theory (B3LYP/6-311+G*). The model in which the descriptors were calculated by using ab initio HF/6-311+G* method indicated the best predictivity capabilities ({{Q}}_{{EXT}}2 = 0.87). However, PM7-based model has comparable values of quality parameters ({{Q}}_{{EXT}}2 = 0.84). Obtained results indicate that semi-empirical methods (faster and less expensive regarding CPU time) can be successfully employed to geometry optimization in QSPR studies for ionic liquids.

  12. Determination of optimal geometry for cylindrical sources for gamma radiation measurements; Odredjivanje optimalne geometrije za mjerenje gama zracenja cilindrichnih izvora

    Energy Technology Data Exchange (ETDEWEB)

    Sinjeri, Lj; Kulisic, P [Elektra - Zagreb, Zagreb (Yugoslavia)

    1990-07-01

    Low radioactive sources were used for experimental determination of optimal dimensions for cylindrical source using coaxial Ge(Li) detector. Then, calculational procedure is used to find optimal dimensions of cylindrical source. The results from calculational procedure confirm with experimental results. In such way the verification of calculational procedure is done and it can be used for determination of optimal geometry for low radioactive cylindrical sources. (author)

  13. Geometry and Topology Optimization of Statically Determinate Beams under Fixed and Most Unfavorably Distributed Load

    Directory of Open Access Journals (Sweden)

    Agata Kozikowska

    Full Text Available Abstract The paper concerns topology and geometry optimization of statically determinate beams with an arbitrary number of pin supports. The beams are simultaneously exposed to uniform dead load and arbitrarily distributed live load and optimized for the absolute maximum bending moment. First, all the beams with fixed topology are subjected to geometrical optimization by genetic algorithm. Strict mathematical formulas for calculation of optimal geometrical parameters are found for all topologies and any ratio of dead to live load. Then beams with the same minimal values of the objective function and different topologies are classified into groups called topological classes. The detailed characteristics of these classes are described.

  14. Mathematical efficiency calibration with uncertain source geometries using smart optimization

    International Nuclear Information System (INIS)

    Menaa, N.; Bosko, A.; Bronson, F.; Venkataraman, R.; Russ, W. R.; Mueller, W.; Nizhnik, V.; Mirolo, L.

    2011-01-01

    The In Situ Object Counting Software (ISOCS), a mathematical method developed by CANBERRA, is a well established technique for computing High Purity Germanium (HPGe) detector efficiencies for a wide variety of source shapes and sizes. In the ISOCS method, the user needs to input the geometry related parameters such as: the source dimensions, matrix composition and density, along with the source-to-detector distance. In many applications, the source dimensions, the matrix material and density may not be well known. Under such circumstances, the efficiencies may not be very accurate since the modeled source geometry may not be very representative of the measured geometry. CANBERRA developed an efficiency optimization software known as 'Advanced ISOCS' that varies the not well known parameters within user specified intervals and determines the optimal efficiency shape and magnitude based on available benchmarks in the measured spectra. The benchmarks could be results from isotopic codes such as MGAU, MGA, IGA, or FRAM, activities from multi-line nuclides, and multiple counts of the same item taken in different geometries (from the side, bottom, top etc). The efficiency optimization is carried out using either a random search based on standard probability distributions, or using numerical techniques that carry out a more directed (referred to as 'smart' in this paper) search. Measurements were carried out using representative source geometries and radionuclide distributions. The radionuclide activities were determined using the optimum efficiency and compared against the true activities. The 'Advanced ISOCS' method has many applications among which are: Safeguards, Decommissioning and Decontamination, Non-Destructive Assay systems and Nuclear reactor outages maintenance. (authors)

  15. Simple Design Tool for Development of Well Insulated Window Frames and Optimization of the Frame Geometry

    DEFF Research Database (Denmark)

    Zajas, Jan Jakub; Heiselberg, Per

    2012-01-01

    in order to approach an optimal solution. The program was also used to conduct an optimization process of the frame geometry. A large number of various window frame designs were created and evaluated, based on their insulation properties. The paper presents the investigation process and some of the best......This paper describes a design tool created with the purpose of designing highly insulated window frames. The design tool is based on a parametric model of the frame geometry, where various parameters describing the frame can be easily changed by the user. Based on this input, geometry of the frame...... is generated by the program and is used by the finite element simulator to calculate the thermal performance of the frame (the U value). After the initial design is evaluated, the user can quickly modify chosen parameters and generate a new design. This process can then be repeated in multiple iterations...

  16. Fast optimization and dose calculation in scanned ion beam therapy

    International Nuclear Information System (INIS)

    Hild, S.; Graeff, C.; Trautmann, J.; Kraemer, M.; Zink, K.; Durante, M.; Bert, C.

    2014-01-01

    Purpose: Particle therapy (PT) has advantages over photon irradiation on static tumors. An increased biological effectiveness and active target conformal dose shaping are strong arguments for PT. However, the sensitivity to changes of internal geometry complicates the use of PT for moving organs. In case of interfractionally moving objects adaptive radiotherapy (ART) concepts known from intensity modulated radiotherapy (IMRT) can be adopted for PT treatments. One ART strategy is to optimize a new treatment plan based on daily image data directly before a radiation fraction is delivered [treatment replanning (TRP)]. Optimizing treatment plans for PT using a scanned beam is a time consuming problem especially for particles other than protons where the biological effective dose has to be calculated. For the purpose of TRP, fast optimization and fast dose calculation have been implemented into the GSI in-house treatment planning system (TPS) TRiP98. Methods: This work reports about the outcome of a code analysis that resulted in optimization of the calculation processes as well as implementation of routines supporting parallel execution of the code. To benchmark the new features, the calculation time for therapy treatment planning has been studied. Results: Compared to the original version of the TPS, calculation times for treatment planning (optimization and dose calculation) have been improved by a factor of 10 with code optimization. The parallelization of the TPS resulted in a speedup factor of 12 and 5.5 for the original version and the code optimized version, respectively. Hence the total speedup of the new implementation of the authors' TPS yielded speedup factors up to 55. Conclusions: The improved TPS is capable of completing treatment planning for ion beam therapy of a prostate irradiation considering organs at risk in this has been overseen in the review process. Also see below 6 min

  17. Test Beam Results of Geometry Optimized Hybrid Pixel Detectors

    CERN Document Server

    Becks, K H; Grah, C; Mättig, P; Rohe, T

    2006-01-01

    The Multi-Chip-Module-Deposited (MCM-D) technique has been used to build hybrid pixel detector assemblies. This paper summarises the results of an analysis of data obtained in a test beam campaign at CERN. Here, single chip hybrids made of ATLAS pixel prototype read-out electronics and special sensor tiles were used. They were prepared by the Fraunhofer Institut fuer Zuverlaessigkeit und Mikrointegration, IZM, Berlin, Germany. The sensors feature an optimized sensor geometry called equal sized bricked. This design enhances the spatial resolution for double hits in the long direction of the sensor cells.

  18. Geometry optimization of linear and annular plasma synthetic jet actuators

    International Nuclear Information System (INIS)

    Neretti, G; Seri, P; Taglioli, M; Borghi, C A; Shaw, A; Iza, F

    2017-01-01

    The electrohydrodynamic (EHD) interaction induced in atmospheric air pressure by a surface dielectric barrier discharge (DBD) actuator has been experimentally investigated. Plasma synthetic jet actuators (PSJAs) are DBD actuators able to induce an air stream perpendicular to the actuator surface. These devices can be used in the field of aerodynamics to prevent or induce flow separation, modify the laminar to turbulent transition inside the boundary layer, and stabilize or mix air flows. They can also be used to enhance indirect plasma treatment effects, increasing the reactive species delivery rate onto surfaces and liquids. This can play a major role in plasma processing and chemical kinetics modelling, where often only diffusive mechanisms are considered. This paper reports on the importance that different electrode geometries can have on the performance of different PSJAs. A series of DBD aerodynamic actuators designed to produce perpendicular jets has been fabricated on two-layer printed circuit boards (PCBs). Both linear and annular geometries were considered, testing different upper electrode distances in the linear case and different diameters in the annular one. An AC voltage supplied at a peak of 11.5 kV and a frequency of 5 kHz was used. Lower electrodes were connected to the ground and buried in epoxy resin to avoid undesired plasma generation on the lower actuator surface. Voltage and current measurements were carried out to evaluate the active power delivered to the discharges. Schlieren imaging allowed the induced jets to be visualized and gave an estimate of their evolution and geometry. Pitot tube measurements were performed to obtain the velocity profiles of the PSJAs and to estimate the mechanical power delivered to the fluid. The optimal values of the inter-electrode distance and diameter were found in order to maximize jet velocity, mechanical power or efficiency. Annular geometries were found to achieve the best performance. (paper)

  19. Accelerating GW calculations with optimal polarizability basis

    Energy Technology Data Exchange (ETDEWEB)

    Umari, P.; Stenuit, G. [CNR-IOM DEMOCRITOS Theory Elettra Group, Basovizza (Trieste) (Italy); Qian, X.; Marzari, N. [Department of Materials Science and Engineering, MIT, Cambridge, MA (United States); Giacomazzi, L.; Baroni, S. [CNR-IOM DEMOCRITOS Theory Elettra Group, Basovizza (Trieste) (Italy); SISSA - Scuola Internazionale Superiore di Studi Avanzati, Trieste (Italy)

    2011-03-15

    We present a method for accelerating GW quasi-particle (QP) calculations. This is achieved through the introduction of optimal basis sets for representing polarizability matrices. First the real-space products of Wannier like orbitals are constructed and then optimal basis sets are obtained through singular value decomposition. Our method is validated by calculating the vertical ionization energies of the benzene molecule and the band structure of crystalline silicon. Its potentialities are illustrated by calculating the QP spectrum of a model structure of vitreous silica. Finally, we apply our method for studying the electronic structure properties of a model of quasi-stoichiometric amorphous silicon nitride and of its point defects. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Geometry-Driven-Diffusion filtering of MR Brain Images using dissimilarities and optimal relaxation parameter

    Energy Technology Data Exchange (ETDEWEB)

    Bajla, Ivan [Austrian Research Centres Sibersdorf, Department of High Performance Image Processing and Video-Technology, A-2444 Seibersdorf (Austria); Hollander, Igor [Institute of information Processing, Austrian Academy of Sciences, Sonnenfelsgasse 19/2, 1010 Wien (Austria)

    1999-12-31

    A novel method of local adapting of the conductance using a pixel dissimilarity measure is developed. An alternative processing methodology is proposed, which is based on intensity gradient histogram calculated for region interiors and boundaries of a phantom which models real MR brain scans. It involves a specific cost function suitable for the calculation of the optimum relaxation parameter Kopt and for the selection of the optimal exponential conductance. Computer experiments for locally adaptive geometry-driven-diffusion filtering of an MR brain phantom have been performed and evaluated. (authors) 6 refs., 3 figs.2 tabs.

  1. Geometry-Driven-Diffusion filtering of MR Brain Images using dissimilarities and optimal relaxation parameter

    International Nuclear Information System (INIS)

    Bajla, Ivan; Hollander, Igor

    1998-01-01

    A novel method of local adapting of the conductance using a pixel dissimilarity measure is developed. An alternative processing methodology is proposed, which is based on intensity gradient histogram calculated for region interiors and boundaries of a phantom which models real MR brain scans. It involves a specific cost function suitable for the calculation of the optimum relaxation parameter Kopt and for the selection of the optimal exponential conductance. Computer experiments for locally adaptive geometry-driven-diffusion filtering of an MR brain phantom have been performed and evaluated. (authors)

  2. Geometries

    CERN Document Server

    Sossinsky, A B

    2012-01-01

    The book is an innovative modern exposition of geometry, or rather, of geometries; it is the first textbook in which Felix Klein's Erlangen Program (the action of transformation groups) is systematically used as the basis for defining various geometries. The course of study presented is dedicated to the proposition that all geometries are created equal--although some, of course, remain more equal than others. The author concentrates on several of the more distinguished and beautiful ones, which include what he terms "toy geometries", the geometries of Platonic bodies, discrete geometries, and classical continuous geometries. The text is based on first-year semester course lectures delivered at the Independent University of Moscow in 2003 and 2006. It is by no means a formal algebraic or analytic treatment of geometric topics, but rather, a highly visual exposition containing upwards of 200 illustrations. The reader is expected to possess a familiarity with elementary Euclidean geometry, albeit those lacking t...

  3. Comparative assessment of different approaches for the use of CAD geometry in Monte Carlo transport calculations

    International Nuclear Information System (INIS)

    Weinhorst, Bastian; Fischer, Ulrich; Lu, Lei; Qiu, Yuefeng; Wilson, Paul

    2015-01-01

    Highlights: • Comparison of different approaches for the use of CAD geometry for Monte Carlo transport calculations. • Comparison with regard to user-friendliness and computation performance. • Three approaches, namely conversion with McCad, unstructured mesh feature of MCN6 and DAGMC. • Installation most complex for DAGMC, model preparation worst for McCad, computation performance worst for MCNP6. • Installation easiest for McCad, model preparation best for MCNP6, computation speed fastest for McCad. - Abstract: Computer aided design (CAD) is an important industrial way to produce high quality designs. Therefore, CAD geometries are in general used for engineering and the design of complex facilities like the ITER tokamak. Although Monte Carlo codes like MCNP are well suited to handle the complex 3D geometry of ITER for transport calculations, they rely on their own geometry description and are in general not able to directly use the CAD geometry. In this paper, three different approaches for the use of CAD geometries with MCNP calculations are investigated and assessed with regard to calculation performance and user-friendliness. The first method is the conversion of the CAD geometry into MCNP geometry employing the conversion software McCad developed by KIT. The second approach utilizes the MCNP6 mesh geometry feature for the particle tracking and relies on the conversion of the CAD geometry into a mesh model. The third method employs DAGMC, developed by the University of Wisconsin-Madison, for the direct particle tracking on the CAD geometry using a patched version of MCNP. The obtained results show that each method has its advantages depending on the complexity and size of the model, the calculation problem considered, and the expertise of the user.

  4. Comparative assessment of different approaches for the use of CAD geometry in Monte Carlo transport calculations

    Energy Technology Data Exchange (ETDEWEB)

    Weinhorst, Bastian, E-mail: bastian.weinhorst@kit.edu [Karlsruhe Institute of Technology (KIT), Institute for Neutron Physics and Reactor Technology, Eggenstein-Leopoldshafen (Germany); Fischer, Ulrich; Lu, Lei; Qiu, Yuefeng [Karlsruhe Institute of Technology (KIT), Institute for Neutron Physics and Reactor Technology, Eggenstein-Leopoldshafen (Germany); Wilson, Paul [University of Wisconsin-Madison, Computational Nuclear Engineering Research Group, Madison, WI (United States)

    2015-10-15

    Highlights: • Comparison of different approaches for the use of CAD geometry for Monte Carlo transport calculations. • Comparison with regard to user-friendliness and computation performance. • Three approaches, namely conversion with McCad, unstructured mesh feature of MCN6 and DAGMC. • Installation most complex for DAGMC, model preparation worst for McCad, computation performance worst for MCNP6. • Installation easiest for McCad, model preparation best for MCNP6, computation speed fastest for McCad. - Abstract: Computer aided design (CAD) is an important industrial way to produce high quality designs. Therefore, CAD geometries are in general used for engineering and the design of complex facilities like the ITER tokamak. Although Monte Carlo codes like MCNP are well suited to handle the complex 3D geometry of ITER for transport calculations, they rely on their own geometry description and are in general not able to directly use the CAD geometry. In this paper, three different approaches for the use of CAD geometries with MCNP calculations are investigated and assessed with regard to calculation performance and user-friendliness. The first method is the conversion of the CAD geometry into MCNP geometry employing the conversion software McCad developed by KIT. The second approach utilizes the MCNP6 mesh geometry feature for the particle tracking and relies on the conversion of the CAD geometry into a mesh model. The third method employs DAGMC, developed by the University of Wisconsin-Madison, for the direct particle tracking on the CAD geometry using a patched version of MCNP. The obtained results show that each method has its advantages depending on the complexity and size of the model, the calculation problem considered, and the expertise of the user.

  5. Optimizing multi-pinhole SPECT geometries using an analytical model

    International Nuclear Information System (INIS)

    Rentmeester, M C M; Have, F van der; Beekman, F J

    2007-01-01

    State-of-the-art multi-pinhole SPECT devices allow for sub-mm resolution imaging of radio-molecule distributions in small laboratory animals. The optimization of multi-pinhole and detector geometries using simulations based on ray-tracing or Monte Carlo algorithms is time-consuming, particularly because many system parameters need to be varied. As an efficient alternative we develop a continuous analytical model of a pinhole SPECT system with a stationary detector set-up, which we apply to focused imaging of a mouse. The model assumes that the multi-pinhole collimator and the detector both have the shape of a spherical layer, and uses analytical expressions for effective pinhole diameters, sensitivity and spatial resolution. For fixed fields-of-view, a pinhole-diameter adapting feedback loop allows for the comparison of the system resolution of different systems at equal system sensitivity, and vice versa. The model predicts that (i) for optimal resolution or sensitivity the collimator layer with pinholes should be placed as closely as possible around the animal given a fixed detector layer, (ii) with high-resolution detectors a resolution improvement up to 31% can be achieved compared to optimized systems, (iii) high-resolution detectors can be placed close to the collimator without significant resolution losses, (iv) interestingly, systems with a physical pinhole diameter of 0 mm can have an excellent resolution when high-resolution detectors are used

  6. Minimizing the effect of automotive pollution in urban geometry using mathematical optimization

    Energy Technology Data Exchange (ETDEWEB)

    Craig, K.J.; De Kock, D.J.; Snyman, J.A. [Pretoria Univ. (South Africa). Dept. of Mechanical and Aeronautical Engineering

    2001-07-01

    One of the factors that needs to be considered during the layout of new urban geometry (e.g. street direction, spacing and width, building height restrictions) is the effect of the air pollution associated with the automotive transport that would use routes in this urban area. Although the pollution is generated at street level, its effect can be widespread due to interaction of the pollutant dispersion and diffusion with the wind speed and direction. In order to study the effect of a new urban geometry on the pollutant levels and dispersion, a very time-consuming experimental or parametric numerical study would have to be performed. This paper proposes an alternative approach, that of combining mathematical optimization with the techniques of computational fluid dynamics (CFD). In essence, the meteorological information as represented by a wind rose (wind speed and direction), is used to calculate pollutant levels as a function of urban geometry variables: street canyon depth and street canyon width. The pollutant source specified in conjunction with a traffic scenario with CO is used as pollutant. The main aim of the study is to be able to suggest the most beneficial configuration of an idealized urban geometry that minimizes the peak pollutant levels due to assumed traffic distributions. This study uses two mathematical optimization methods. The first method is implemented through a successive maximization-minimization approach, while the second method determines the location of saddle points of the pollutant level, considered as a function of urban geometry and wind rose. Locally, a saddle point gives the best urban geometry for the worst meteorological scenario. The commercial CFD code, STAR-CD, is coupled with a version of the DYNAMIC-Q optimization algorithm of Snyman, first to successively locate maxima and minima in a min-max approach; and then to locate saddle points. It is shown that the saddle-point method is more cost-effective. The methodology

  7. Self-consistent electronic-structure calculations for interface geometries

    International Nuclear Information System (INIS)

    Sowa, E.C.; Gonis, A.; MacLaren, J.M.; Zhang, X.G.

    1992-01-01

    This paper describes a technique for computing self-consistent electronic structures and total energies of planar defects, such as interfaces, which are embedded in an otherwise perfect crystal. As in the Layer Korringa-Kohn-Rostoker approach, the solid is treated as a set of coupled layers of atoms, using Bloch's theorem to take advantage of the two-dimensional periodicity of the individual layers. The layers are coupled using the techniques of the Real-Space Multiple-Scattering Theory, avoiding artificial slab or supercell boundary conditions. A total-energy calculation on a Cu crystal, which has been split apart at a (111) plane, is used to illustrate the method

  8. Geometry

    Indian Academy of Sciences (India)

    . In the previous article we looked at the origins of synthetic and analytic geometry. More practical minded people, the builders and navigators, were studying two other aspects of geometry- trigonometry and integral calculus. These are actually ...

  9. Calculation of beam source geometry of electron accelerator for radiation technologies

    International Nuclear Information System (INIS)

    Balalykin, N.I.; Derendyaev, Yu.S.; Dolbilov, G.V.; Karlov, A.A.; Korenev, S.A.; Petrov, V.A.; Smolyakova, T.F.

    1994-01-01

    ELLIPT and GRAFOR programmes written in FORTRAN language were developed to calculate the geometry of an electron source. The programmes enable calculation of electromagnetic field of the source and electron trajectories in the source under preset boundary and initial conditions. The GRAFOR programme allows to display electric field curves and calculated trajectories of large particles. 4 refs., 1 fig

  10. Benchmark calculations on resonance absorption by 238U in a PWR pin-cell geometry

    International Nuclear Information System (INIS)

    Kruijf, W.J.M. de; Janssen, A.J.

    1993-12-01

    Very accurate Monte Carlo calculations with MCNP have been performed to serve as a reference for benchmark calculations on resonance absorption by 238 U in a typical PWR pin-cell geometry. Calculations with the energy-pointwise slowing down code ROLAIDS-CPM show that this code calculates the resonance absorption accurately. Calculations with the multigroup discrete ordinates code XSDRN show that accurate results can only be achieved with a very fine energy mesh. (orig.)

  11. A New Optimization Method for Centrifugal Compressors Based on 1D Calculations and Analyses

    Directory of Open Access Journals (Sweden)

    Pei-Yuan Li

    2015-05-01

    Full Text Available This paper presents an optimization design method for centrifugal compressors based on one-dimensional calculations and analyses. It consists of two parts: (1 centrifugal compressor geometry optimization based on one-dimensional calculations and (2 matching optimization of the vaned diffuser with an impeller based on the required throat area. A low pressure stage centrifugal compressor in a MW level gas turbine is optimized by this method. One-dimensional calculation results show that D3/D2 is too large in the original design, resulting in the low efficiency of the entire stage. Based on the one-dimensional optimization results, the geometry of the diffuser has been redesigned. The outlet diameter of the vaneless diffuser has been reduced, and the original single stage diffuser has been replaced by a tandem vaned diffuser. After optimization, the entire stage pressure ratio is increased by approximately 4%, and the efficiency is increased by approximately 2%.

  12. Geometry

    CERN Document Server

    Prasolov, V V

    2015-01-01

    This book provides a systematic introduction to various geometries, including Euclidean, affine, projective, spherical, and hyperbolic geometries. Also included is a chapter on infinite-dimensional generalizations of Euclidean and affine geometries. A uniform approach to different geometries, based on Klein's Erlangen Program is suggested, and similarities of various phenomena in all geometries are traced. An important notion of duality of geometric objects is highlighted throughout the book. The authors also include a detailed presentation of the theory of conics and quadrics, including the theory of conics for non-Euclidean geometries. The book contains many beautiful geometric facts and has plenty of problems, most of them with solutions, which nicely supplement the main text. With more than 150 figures illustrating the arguments, the book can be recommended as a textbook for undergraduate and graduate-level courses in geometry.

  13. Transient analyses for a molten salt fast reactor with optimized core geometry

    Energy Technology Data Exchange (ETDEWEB)

    Li, R., E-mail: rui.li@kit.edu [Institute for Nuclear and Energy Technologies (IKET), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Wang, S.; Rineiski, A.; Zhang, D. [Institute for Nuclear and Energy Technologies (IKET), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Merle-Lucotte, E. [Laboratoire de Physique Subatomique et de Cosmologie – IN2P3 – CNRS/Grenoble INP/UJF, 53, rue des Martyrs, 38026 Grenoble (France)

    2015-10-15

    Highlights: • MSFR core is analyzed by fully coupling neutronics and thermal-hydraulics codes. • We investigated four types of transients intensively with the optimized core geometry. • It demonstrates MSFR has a high safety potential. - Abstract: Molten salt reactors (MSRs) have encountered a marked resurgence of interest over the past decades, highlighted by their inclusion as one of the six candidate reactors of the Generation IV advanced nuclear power systems. The present work is carried out in the framework of the European FP-7 project EVOL (Evaluation and Viability Of Liquid fuel fast reactor system). One of the project tasks is to report on safety analyses: calculations of reactor transients using various numerical codes for the molten salt fast reactor (MSFR) under different boundary conditions, assumptions, and for different selected scenarios. Based on the original reference core geometry, an optimized geometry was proposed by Rouch et al. (2014. Ann. Nucl. Energy 64, 449) on thermal-hydraulic design aspects to avoid a recirculation zone near the blanket which accumulates heat and very high temperature exceeding the salt boiling point. Using both fully neutronics thermal-hydraulic coupled codes (SIMMER and COUPLE), we also re-confirm the efforts step by step toward a core geometry without the recirculation zone in particular as concerns the modifications of the core geometrical shape. Different transients namely Unprotected Loss of Heat Sink (ULOHS), Unprotected Loss of Flow (ULOF), Unprotected Transient Over Power (UTOP), Fuel Salt Over Cooling (FSOC) are intensively investigated and discussed with the optimized core geometry. It is demonstrated that due to inherent negative feedbacks, an MSFR plant has a high safety potential.

  14. Optimization of the geometry of the diphenylamine molecule by semiempirical quantum chemical methods

    International Nuclear Information System (INIS)

    Pankratov, A.N.; Mushtakova, S.P.; Gribov, L.A.

    1986-01-01

    Available data on experimental study of the geometry of the diphenylamine molecule (I) in solution and in the crystal are fragmentary and not always reliable. Previously, they did a conformational analysis of molecule I using the atom-atom potential method. In order to refine the geometric parameters found for molecule I, optimization of its geometry is provided in the paper using the CNDO/2, INDO, MINDO/3 methods with the use of programs for the BESM-6 computer which are part of the VIKING program set. The angles of rotation for the phenyl rings relative to the CNC plane, the bond angles C 2 N 7 C 8 and C 2 N 7 H 19 , and also the dihedral angle H 19 N 7 C 8 C 9 were subjected to optimization. For any set of values for the indicated parameters, the bond angle C 8 N 7 H 19 is determined unambiguously. The results of the calculations are evidence that the MINDO/3 method is not suitable for optimization of the geometry for molecules of the indicated series; in particular, it leads to much too high a value for the CNC angles (135.9 0 ). The CNDO/2 method reproduces well the real value of the CNC angle (124.1 0 ) and confirms the known pyrimidal character of the nitrogen atom, the sum of the bond angles of which proved to be equal to 353.6 0 . The calculation in the INDO approximation successfully gives the basic characteristics of the molecular geometry of (I); according to this approximation, the CNC angle is equal to 123.2 0 , the CNH angles are equal to 118.0 and 118.8 0 , the sum of the angles for the nitrogen atom is 360.0 0

  15. A View on Optimal Transport from Noncommutative Geometry

    Directory of Open Access Journals (Sweden)

    Francesco D'Andrea

    2010-07-01

    Full Text Available We discuss the relation between the Wasserstein distance of order 1 between probability distributions on a metric space, arising in the study of Monge-Kantorovich transport problem, and the spectral distance of noncommutative geometry. Starting from a remark of Rieffel on compact manifolds, we first show that on any - i.e. non-necessary compact - complete Riemannian spin manifolds, the two distances coincide. Then, on convex manifolds in the sense of Nash embedding, we provide some natural upper and lower bounds to the distance between any two probability distributions. Specializing to the Euclidean space R^n, we explicitly compute the distance for a particular class of distributions generalizing Gaussian wave packet. Finally we explore the analogy between the spectral and the Wasserstein distances in the noncommutative case, focusing on the standard model and the Moyal plane. In particular we point out that in the two-sheet space of the standard model, an optimal-transport interpretation of the metric requires a cost function that does not vanish on the diagonal. The latest is similar to the cost function occurring in the relativistic heat equation.

  16. The calculation and experiment verification of geometry factors of disk sources and detectors

    International Nuclear Information System (INIS)

    Shi Zhixia; Minowa, Y.

    1993-01-01

    In alpha counting the efficiency of counting system is most frequently determined from the counter response to a calibrated source. Whenever this procedure is used, however, question invariably arise as to the integrity of the standard source, or indeed the validity of the primary calibration. As a check, therefore, it is often helped to be able to calculate the disintegration rate from counting rate data. The conclusion are: 1. If the source is thin enough the error E is generally less than 5%. It is acceptable in routine measurement. When the standard source lacks for experiment we can use the geometry factor calculated instead of measured efficiency. 2. The geometry factor calculated can be used to correct the counter system, study the effect of each parameters and identify those parameters needing careful control. 3. The method of overlapping area of the source and the projection of the detector is very believable, simple and convenient for calculating geometry. (5 tabs.)

  17. Plutonium Finishing Plant (PFP) Generalized Geometry Holdup Calculations and Total Measurement Uncertainty

    International Nuclear Information System (INIS)

    Keele, B.D.

    2005-01-01

    A collimated portable gamma-ray detector will be used to quantify the plutonium content of items that can be approximated as a point, line, or area geometry with respect to the detector. These items can include ducts, piping, glove boxes, isolated equipment inside of gloveboxes, and HEPA filters. The Generalized Geometry Holdup (GGH) model is used for the reduction of counting data. This document specifies the calculations to reduce counting data into contained plutonium and the associated total measurement uncertainty.

  18. Geometry characteristics modeling and process optimization in coaxial laser inside wire cladding

    Science.gov (United States)

    Shi, Jianjun; Zhu, Ping; Fu, Geyan; Shi, Shihong

    2018-05-01

    Coaxial laser inside wire cladding method is very promising as it has a very high efficiency and a consistent interaction between the laser and wire. In this paper, the energy and mass conservation law, and the regression algorithm are used together for establishing the mathematical models to study the relationship between the layer geometry characteristics (width, height and cross section area) and process parameters (laser power, scanning velocity and wire feeding speed). At the selected parameter ranges, the predicted values from the models are compared with the experimental measured results, and there is minor error existing, but they reflect the same regularity. From the models, it is seen the width of the cladding layer is proportional to both the laser power and wire feeding speed, while it firstly increases and then decreases with the increasing of the scanning velocity. The height of the cladding layer is proportional to the scanning velocity and feeding speed and inversely proportional to the laser power. The cross section area increases with the increasing of feeding speed and decreasing of scanning velocity. By using the mathematical models, the geometry characteristics of the cladding layer can be predicted by the known process parameters. Conversely, the process parameters can be calculated by the targeted geometry characteristics. The models are also suitable for multi-layer forming process. By using the optimized process parameters calculated from the models, a 45 mm-high thin-wall part is formed with smooth side surfaces.

  19. Optimization of Overtopping Wave Energy Converters by Geometry Control

    DEFF Research Database (Denmark)

    Victor, L.; Troch, P.; Kofoed, Jens Peter

    2011-01-01

    In this paper, the results of a study on the effects of geometry control on the performance of overtopping wave energy converters with a simple geometry built in coastal structures (simple OWECs) are presented. Empirical formulae, derived based on experimental tests on simple OWECs with varying...

  20. Vectorising the detector geometry to optimize particle transport

    CERN Document Server

    Apostolakis, John; Carminati, Federico; Gheata, Andrei; Wenzel, Sandro

    2014-01-01

    Among the components contributing to particle transport, geometry navigation is an important consumer of CPU cycles. The tasks performed to get answers to "basic" queries such as locating a point within a geometry hierarchy or computing accurately the distance to the next boundary can become very computing intensive for complex detector setups. So far, the existing geometry algorithms employ mainly scalar optimisation strategies (voxelization, caching) to reduce their CPU consumption. In this paper, we would like to take a different approach and investigate how geometry navigation can benefit from the vector instruction set extensions that are one of the primary source of performance enhancements on current and future hardware. While on paper, this form of microparallelism promises increasing performance opportunities, applying this technology to the highly hierarchical and multiply branched geometry code is a difficult challenge. We refer to the current work done to vectorise an important part of the critica...

  1. Evolutionary algorithm for optimization of nonimaging Fresnel lens geometry.

    Science.gov (United States)

    Yamada, N; Nishikawa, T

    2010-06-21

    In this study, an evolutionary algorithm (EA), which consists of genetic and immune algorithms, is introduced to design the optical geometry of a nonimaging Fresnel lens; this lens generates the uniform flux concentration required for a photovoltaic cell. Herein, a design procedure that incorporates a ray-tracing technique in the EA is described, and the validity of the design is demonstrated. The results show that the EA automatically generated a unique geometry of the Fresnel lens; the use of this geometry resulted in better uniform flux concentration with high optical efficiency.

  2. Geometry

    CERN Document Server

    Pedoe, Dan

    1988-01-01

    ""A lucid and masterly survey."" - Mathematics Gazette Professor Pedoe is widely known as a fine teacher and a fine geometer. His abilities in both areas are clearly evident in this self-contained, well-written, and lucid introduction to the scope and methods of elementary geometry. It covers the geometry usually included in undergraduate courses in mathematics, except for the theory of convex sets. Based on a course given by the author for several years at the University of Minnesota, the main purpose of the book is to increase geometrical, and therefore mathematical, understanding and to he

  3. Calculation of the electrical of induction heating coils in two dimensional axissymmetric geometry

    Energy Technology Data Exchange (ETDEWEB)

    Nerg, J.; Partanen, J. [Lappeenranta University of Technology (Finland). Department of Energy Technology, Laboratory of Electrical Engineering

    1997-12-31

    The effect of the workpiece temperature on the electrical parameters of a plane, spiral inductor is discussed. The effect of workpiece temperature on the electrical efficiency, power transfer to the workpiece and electromagnetic distortion are also presented. Calculation is performed in two dimensional axissymmetric geometry using a FEM program. (orig.) 5 refs.

  4. 3D Printing of Molecular Models with Calculated Geometries and p Orbital Isosurfaces

    Science.gov (United States)

    Carroll, Felix A.; Blauch, David N.

    2017-01-01

    3D printing was used to prepare models of the calculated geometries of unsaturated organic structures. Incorporation of p orbital isosurfaces into the models enables students in introductory organic chemistry courses to have hands-on experience with the concept of orbital alignment in strained and unstrained p systems.

  5. Geometry optimization of molecules within an LCGTO local-density functional approach

    International Nuclear Information System (INIS)

    Mintmire, J.W.

    1990-01-01

    We describe our implementation of geometry optimization techniques within the linear combination of Gaussian-type orbitals (LCGTO) approach to local-density functional theory. The algorithm for geometry optimization is based on the evaluation of the gradient of the total energy with respect to internal coordinates within the local-density functional scheme. We present optimization results for a range of small molecules which serve as test cases for our approach

  6. SILENE and TDT: A code for collision probability calculations in XY geometries

    International Nuclear Information System (INIS)

    Sanchez, R.; Stankovski, Z.

    1993-01-01

    Collision probability methods are routinely used for cell and assembly multigroup transport calculations in core design tasks. Collision probability methods use a specialized tracking routine to compute neutron trajectories within a given geometric object. These trajectories are then used to generate the appropriate collision matrices in as many groups as required. Traditional tracking routines are based on open-quotes globalclose quotes geometric descriptions (such as regular meshes) and are not able to cope with the geometric detail required in actual core calculations. Therefore, users have to modify their geometry in order to match the geometric model accepted by the tracking routine, introducing thus a modeling error whose evaluation requires the use of a open-quotes referenceclose quotes method. Recently, an effort has been made to develop more flexible tracking routines either by directly adopting tracking Monte Carlo techniques or by coding of complicated geometries. Among these, the SILENE and TDT package is being developed at the Commissariat a l' Energie Atomique to provide routine as well as reference calculations in arbitrarily shaped XY geometries. This package combines a direct graphical acquisition system (SILENE) together with a node-based collision probability code for XY geometries (TDT)

  7. Optimization of weld bead geometry of MS plate

    Indian Academy of Sciences (India)

    The considered specimen was checked to harmonize the optimum setting between input factors, for example, welding current, open circuit voltage, and thickness of plate, with respect to obtaining prosperous weld strength as well as bead geometry quality characteristics, for example, tensile strength, bead width, ...

  8. Cell homogenization methods for pin-by-pin core calculations tested in slab geometry

    International Nuclear Information System (INIS)

    Yamamoto, Akio; Kitamura, Yasunori; Yamane, Yoshihiro

    2004-01-01

    In this paper, performances of spatial homogenization methods for fuel or non-fuel cells are compared in slab geometry in order to facilitate pin-by-pin core calculations. Since the spatial homogenization methods were mainly developed for fuel assemblies, systematic study of their performance for the cell-level homogenization has not been carried out. Importance of cell-level homogenization is recently increasing since the pin-by-pin mesh core calculation in actual three-dimensional geometry, which is less approximate approach than current advanced nodal method, is getting feasible. Four homogenization methods were investigated in this paper; the flux-volume weighting, the generalized equivalence theory, the superhomogenization (SPH) method and the nonlinear iteration method. The last one, the nonlinear iteration method, was tested as the homogenization method for the first time. The calculations were carried out in simplified colorset assembly configurations of PWR, which are simulated by slab geometries, and homogenization performances were evaluated through comparison with the reference cell-heterogeneous calculations. The calculation results revealed that the generalized equivalence theory showed best performance. Though the nonlinear iteration method can significantly reduce homogenization error, its performance was not as good as that of the generalized equivalence theory. Through comparison of the results obtained by the generalized equivalence theory and the superhomogenization method, important byproduct was obtained; deficiency of the current superhomogenization method, which could be improved by incorporating the 'cell-level discontinuity factor between assemblies', was clarified

  9. Continuous energy Monte Carlo calculations for randomly distributed spherical fuels based on statistical geometry model

    Energy Technology Data Exchange (ETDEWEB)

    Murata, Isao [Osaka Univ., Suita (Japan); Mori, Takamasa; Nakagawa, Masayuki; Itakura, Hirofumi

    1996-03-01

    The method to calculate neutronics parameters of a core composed of randomly distributed spherical fuels has been developed based on a statistical geometry model with a continuous energy Monte Carlo method. This method was implemented in a general purpose Monte Carlo code MCNP, and a new code MCNP-CFP had been developed. This paper describes the model and method how to use it and the validation results. In the Monte Carlo calculation, the location of a spherical fuel is sampled probabilistically along the particle flight path from the spatial probability distribution of spherical fuels, called nearest neighbor distribution (NND). This sampling method was validated through the following two comparisons: (1) Calculations of inventory of coated fuel particles (CFPs) in a fuel compact by both track length estimator and direct evaluation method, and (2) Criticality calculations for ordered packed geometries. This method was also confined by applying to an analysis of the critical assembly experiment at VHTRC. The method established in the present study is quite unique so as to a probabilistic model of the geometry with a great number of spherical fuels distributed randomly. Realizing the speed-up by vector or parallel computations in future, it is expected to be widely used in calculation of a nuclear reactor core, especially HTGR cores. (author).

  10. Calculation of the apparent neutron parameters in a borehole geometry for neutron porosity tools

    International Nuclear Information System (INIS)

    Woznicka, U.; Drabina, A.

    2001-01-01

    This paper presents the next step of a development of the theoretical solutions, which gives a possibility to calculate the apparent neutron slowing down and migration lengths in the three region cylindrical system which represents the borehole, the intermediate zone (e.g. mud cake at the borehole walls), and the geological formation. A solution of the neutron diffusion equation in energy two-group approach for spatial moments of the neutron flux is given for the three-region cylindrical coaxial geometry. The influence of the intermediate zone is presented. The numerical code MOM3 has been written to calculate the apparent slowing down and migration lengths for the three-region cylindrical system as mentioned above. Additionally the MCNP calculation for the three-region borehole geometry is presented in the paper

  11. An atlas of RNA base pairs involving modified nucleobases with optimal geometries and accurate energies

    KAUST Repository

    Chawla, Mohit

    2015-06-27

    Posttranscriptional modifications greatly enhance the chemical information of RNA molecules, contributing to explain the diversity of their structures and functions. A significant fraction of RNA experimental structures available to date present modified nucleobases, with half of them being involved in H-bonding interactions with other bases, i.e. ‘modified base pairs’. Herein we present a systematic investigation of modified base pairs, in the context of experimental RNA structures. To this end, we first compiled an atlas of experimentally observed modified base pairs, for which we recorded occurrences and structural context. Then, for each base pair, we selected a representative for subsequent quantum mechanics calculations, to find out its optimal geometry and interaction energy. Our structural analyses show that most of the modified base pairs are non Watson–Crick like and are involved in RNA tertiary structure motifs. In addition, quantum mechanics calculations quantify and provide a rationale for the impact of the different modifications on the geometry and stability of the base pairs they participate in.

  12. An atlas of RNA base pairs involving modified nucleobases with optimal geometries and accurate energies

    KAUST Repository

    Chawla, Mohit; Oliva, R.; Bujnicki, J. M.; Cavallo, Luigi

    2015-01-01

    Posttranscriptional modifications greatly enhance the chemical information of RNA molecules, contributing to explain the diversity of their structures and functions. A significant fraction of RNA experimental structures available to date present modified nucleobases, with half of them being involved in H-bonding interactions with other bases, i.e. ‘modified base pairs’. Herein we present a systematic investigation of modified base pairs, in the context of experimental RNA structures. To this end, we first compiled an atlas of experimentally observed modified base pairs, for which we recorded occurrences and structural context. Then, for each base pair, we selected a representative for subsequent quantum mechanics calculations, to find out its optimal geometry and interaction energy. Our structural analyses show that most of the modified base pairs are non Watson–Crick like and are involved in RNA tertiary structure motifs. In addition, quantum mechanics calculations quantify and provide a rationale for the impact of the different modifications on the geometry and stability of the base pairs they participate in.

  13. Effect of cosine current approximation in lattice cell calculations in cylindrical geometry

    International Nuclear Information System (INIS)

    Mohanakrishnan, P.

    1978-01-01

    It is found that one-dimensional cylindrical geometry reactor lattice cell calculations using cosine angular current approximation at spatial mesh interfaces give results surprisingly close to the results of accurate neutron transport calculations as well as experimental measurements. This is especially true for tight light water moderated lattices. Reasons for this close agreement are investigated here. By re-examining the effects of reflective and white cell boundary conditions in these calculations it is concluded that one major reason is the use of white boundary condition necessitated by the approximation of the two-dimensional reactor lattice cell by a one-dimensional one. (orig.) [de

  14. Program for photon shielding calculations. Examination of approximations on irradiation geometries

    International Nuclear Information System (INIS)

    Isozumi, Yasuhito; Ishizuka, Fumihiko; Miyatake, Hideo; Kato, Takahisa; Tosaki, Mitsuo

    2004-01-01

    Penetration factors and related numerical data in 'Manual of Practical Shield Calculation of Radiation Facilities (2000)', which correspond to the irradiation geometries of point isotropic source in infinite thick material (PI), point isotropic source in finite thick material (PF) and vertical incident to finite thick material (VF), have been carefully examined. The shield calculation based on the PI geometry is usually performed with effective dose penetration factors of radioisotopes given in the 'manual'. The present work cleary shows that such a calculation may lead to an overestimate more than twice larger, especially for thick shield of concrete and water. Employing the numerical data in the 'manual', we have fabricated a simple computer program for the estimation of penetration factors and effective doses of radioisotopes in the different irradiation geometries, i.e., PI, PF and VF. The program is also available to calculate the effective dose from a set of radioisotopes in the different positions, which is necessary for the γ-ray shielding of radioisotope facilities. (author)

  15. Indium local geometry in In-Sb-Te thin films using XANES and DFT calculations

    Science.gov (United States)

    Bilovol, V.; Gil Rebaza, A. V.; Mudarra Navarro, A. M.; Errico, L.; Fontana, M.; Arcondo, B.

    2017-12-01

    In-Sb-Te when is a thin film presents a huge difference in its electrical resistivity when transform from the amorphous (insulating) to the crystalline (conducting) phase. This property made this system one of the main phase-change materials used in the data storage industry. The change in the electrical conductivity is probably associated to a change in the bonding geometry of some of its constituents. To explore this point, we present in this work an study of the bonding geometry of In atoms in In-Sb-Te films by means of In K-edge X-ray absorption near edge structure (XANES) spectroscopy using synchrotron radiation in both as deposited (amorphous) and crystalline thin films obtained as a result of resistance (R) vs temperature (T) measurements. Comparison of the XANES spectra obtained for ternary amorphous films and binary crystalline reference films suggests that in amorphous films the bonding geometry of In atoms is tetrahedral-like. After the thermal annealing has been carried out the differences in the XANES spectra of the as deposited and the annealed films indicate that the bonding geometry of In atoms changes. Based on X-ray diffraction results and ab initio calculations in the framework of the Density Functional Theory (DFT) we show that the new coordination geometry is associated with a tendency of In atoms towards octahedral-like.

  16. Rheumatoid arthritis is associated with less optimal hip structural geometry.

    Science.gov (United States)

    Wright, Nicole C; Lisse, Jeffrey R; Beck, Thomas J; Sherrill, Duane L; Mohler, M Jane; Bassford, Tamsen; Cauley, Jane A; Lacroix, Andrea Z; Lewis, Cora E; Chen, Zhao

    2012-01-01

    The overall goal of this study was to assess the longitudinal changes in bone strength in women reporting rheumatoid arthritis (RA; n=78) compared with nonarthritic control participants (n=4779) of the Women's Health Initiative bone mineral density (WHI-BMD) subcohort. Hip structural analysis program was applied to archived dual-energy X-ray absorptiometry scans (baseline, years 3, 6, and 9) to estimate bone mineral density (BMD) and hip structural geometry parameters in 3 femoral regions: narrow neck (NN), intertrochanteric (IT), and shaft (S). The association between RA and hip structural geometry was tested using linear regression and random coefficient models. Compared with the nonarthritic control, the RA group had a lower BMD (p=0.061) and significantly lower outer diameter (p=0.017), cross-sectional area (p=0.004), and section modulus (p=0.035) at the NN region in the longitudinal models. No significant associations were seen at the IT regions or S regions, and the association was not modified by age, ethnicity, glucocorticoid use, or time. Within the WHI-BMD, women with RA group had reduced BMD and structural geometry at baseline, and this reduction was seen at a fixed rate throughout the 9 yr of study. Copyright © 2012 The International Society for Clinical Densitometry. Published by Elsevier Inc. All rights reserved.

  17. 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.

  18. Neutron noise calculations in a hexagonal geometry and comparison with analytical solutions

    International Nuclear Information System (INIS)

    Tran, H. N.; Demaziere, C.

    2012-01-01

    This paper presents the development of a neutronic and kinetic solver for hexagonal geometries. The tool is developed based on the diffusion theory with multi-energy groups and multi-groups of delayed neutron precursors allowing the solutions of forward and adjoint problems of static and dynamic states, and is applicable to both thermal and fast systems with hexagonal geometries. In the dynamic problems, the small stationary fluctuations of macroscopic cross sections are considered as noise sources, and then the induced first order noise is calculated fully in the frequency domain. Numerical algorithms for solving the static and noise equations are implemented with a spatial discretization based on finite differences and a power iterative solution. A coarse mesh finite difference method has been adopted for speeding up the convergence. Since no other numerical tool could calculate frequency-dependent noise in hexagonal geometry, validation calculations have been performed and benchmarked to analytical solutions based on a 2-D homogeneous system with two-energy groups and one-group of delayed neutron precursor, in which point-like perturbations of thermal absorption cross section at central and non-central positions are considered as noise sources. (authors)

  19. Discrete Geometry Toolkit for Shape Optimization, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Simulation-based design optimization has been steadily maturing over the past two decades, but not without its own unique and persistent challenges. The proposed...

  20. Thermodynamic optimization of geometry in engineering flow systems

    Energy Technology Data Exchange (ETDEWEB)

    Bejan, A.; Jones, J.A. [Duke Univ., Durham, NC (United States)

    2000-07-01

    This review draws attention to an emerging body of work that relies on global thermodynamic optimization in the pursuit of flow system architecture. Exergy analysis establishes the theoretical performance limit. Thermodynamic optimization (or entropy generation minimization) brings the design as closely as permissible to the theoretical limit. The design is destined to remain imperfect because of constraints (finite sizes, times, and costs). Improvements are registered by spreading the imperfection (e.g., flow resistances) through the system. Resistances compete against each other and must be optimized together. Optimal spreading means spatial distribution, geometric form, topology, and geography. System architecture springs out of constrained global optimization. The principle is illustrated by simple examples: the optimization of dimensions, spacings, and the distribution (allocation) of heat transfer surface to the two heat exchangers of a power plant. Similar opportunities for deducing flow architecture exist in more complex systems for power and refrigeration. Examples show that the complete structure of heat exchangers for environmental control systems of aircraft can be derived based on this principle. (authors)

  1. Improvement in minimum detectable activity for low energy gamma by optimization in counting geometry

    Directory of Open Access Journals (Sweden)

    Anil Gupta

    2017-01-01

    Full Text Available Gamma spectrometry for environmental samples of low specific activities demands low minimum detection levels of measurement. An attempt has been made to lower the gamma detection level of measurement by optimizing the sample geometry, without compromising on the sample size. Gamma energy of 50–200 keV range was chosen for the study, since low energy gamma photons suffer the most self-attenuation within matrix. The simulation study was carried out using MCNP based software “EffCalcMC” for silica matrix and cylindrical geometries. A volume of 250 ml sample geometry of 9 cm diameter is optimized as the best suitable geometry for use, against the in-practice 7 cm diameter geometry of same volume. An increase in efficiency of 10%–23% was observed for the 50–200 keV gamma energy range and a corresponding lower minimum detectable activity of 9%–20% could be achieved for the same.

  2. Optimizing the Entrainment Geometry of a Dry Powder Inhaler: Methodology and Preliminary Results.

    Science.gov (United States)

    Kopsch, Thomas; Murnane, Darragh; Symons, Digby

    2016-11-01

    For passive dry powder inhalers (DPIs) entrainment and emission of the aerosolized drug dose depends strongly on device geometry and the patient's inhalation manoeuvre. We propose a computational method for optimizing the entrainment part of a DPI. The approach assumes that the pulmonary delivery location of aerosol can be determined by the timing of dose emission into the tidal airstream. An optimization algorithm was used to iteratively perform computational fluid dynamic (CFD) simulations of the drug emission of a DPI. The algorithm seeks to improve performance by changing the device geometry. Objectives were to achieve drug emission that was: A) independent of inhalation manoeuvre; B) similar to a target profile. The simulations used complete inhalation flow-rate profiles generated dependent on the device resistance. The CFD solver was OpenFOAM with drug/air flow simulated by the Eulerian-Eulerian method. To demonstrate the method, a 2D geometry was optimized for inhalation independence (comparing two breath profiles) and an early-bolus delivery. Entrainment was both shear-driven and gas-assisted. Optimization for a delay in the bolus delivery was not possible with the chosen geometry. Computational optimization of a DPI geometry for most similar drug delivery has been accomplished for an example entrainment geometry.

  3. Geometry Optimization of DC/RF Photoelectron Gun

    CERN Document Server

    Chen Ping; Yu, David

    2005-01-01

    Pre-acceleration of photoelectrons in a pulsed, high voltage, short, dc gap and its subsequent injection into an rf gun is a promising method to improve electron beam emittance in rf accelerators. Simulation work has been performed in order to optimize the geometric shapes of a dc/rf gun and improve electron beam properties. Variations were made on cathode and anode shapes, dc gap distance, and inlet shape of the rf cavity. Simulations showed that significant improvement on the normalized emittance (< 1 mm-mrad), compared to a dc gun with flat cathode, could be obtained after the geometric shapes of the gun were optimized.

  4. Optimization of fin geometry in heat convection with entransy theory

    International Nuclear Information System (INIS)

    Cheng Xue-Tao; Xu Xiang-Hua; Liang Xin-Gang; Zhang Qin-Zhao

    2013-01-01

    The entransy theory developed in recent years is used to optimize the aspect ratio of a plate fin in heat convection. Based on a two-dimensional model, the theoretical analysis shows that the minimum thermal resistance defined with the concept of entransy dissipation corresponds to the maximum heat transfer rate when the temperature of the heating surface is fixed. On the other hand, when the heat flux of the heating surface is fixed, the minimum thermal resistance corresponds to the minimum average temperature of the heating surface. The entropy optimization is also given for the heat transfer processes. It is observed that the minimum entropy generation, the minimum entropy generation number, and the minimum revised entropy generation number do not always correspond to the best heat transfer performance. In addition, the influence factors on the optimized aspect ratio of the plate fin are also discussed. The optimized ratio decreases with the enhancement of heat convection, while it increases with fin thermal conductivity increasing. (general)

  5. Optimization of linear Monte Carlo calculations

    International Nuclear Information System (INIS)

    Troubetzkoy, E.S.

    1991-01-01

    The variance of the calculation is minimized on the basis of parameters generated by a learning technique. The optimum is obtained if sampling is biased proportionally to the expected root-mean-square score. In this paper, the method is compared with existing methods, which bias proportionally to the expected score

  6. Optimization of a stellarator design including modulation of the helical winding geometry

    International Nuclear Information System (INIS)

    Sharp, L.E.; Petersen, L.F.; Blamey, J.W.

    1979-06-01

    The optimization of the helical winding geometry of the next generation of high performance stellarators is of critical importance as the current in the helical conductors must be kept to a minimum to reduce the very large electromechanical forces on the conductors. Using a modified version of the Culham computer code MAGBAT, steps towards optimization are described

  7. Advances in Spectral Nodal Methods applied to SN Nuclear Reactor Global calculations in Cartesian Geometry

    International Nuclear Information System (INIS)

    Barros, R.C.; Filho, H.A.; Oliveira, F.B.S.; Silva, F.C. da

    2004-01-01

    Presented here are the advances in spectral nodal methods for discrete ordinates (SN) eigenvalue problems in Cartesian geometry. These coarse-mesh methods are based on three ingredients: (i) the use of the standard discretized spatial balance SN equations; (ii) the use of the non-standard spectral diamond (SD) auxiliary equations in the multiplying regions of the domain, e.g. fuel assemblies; and (iii) the use of the non-standard spectral Green's function (SGF) auxiliary equations in the non-multiplying regions of the domain, e.g., the reflector. In slab-geometry the hybrid SD-SGF method generates numerical results that are completely free of spatial truncation errors. In X,Y-geometry, we obtain a system of two 'slab-geometry' SN equations for the node-edge average angular fluxes by transverse-integrating the X,Y-geometry SN equations separately in the y- and then in the x-directions within an arbitrary node of the spatial grid set up on the domain. In this paper, we approximate the transverse leakage terms by constants. These are the only approximations considered in the SD-SGF-constant nodal method, as the source terms, that include scattering and eventually fission events, are treated exactly. Moreover, we describe in this paper the progress of the approximate SN albedo boundary conditions for substituting the non-multiplying regions around the nuclear reactor core. We show numerical results to typical model problems to illustrate the accuracy of spectral nodal methods for coarse-mesh SN criticality calculations. (Author)

  8. An algorithm for mass matrix calculation of internally constrained molecular geometries.

    Science.gov (United States)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-28

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model.

  9. An algorithm for mass matrix calculation of internally constrained molecular geometries

    International Nuclear Information System (INIS)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-01

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model

  10. Geometry Based Design Automation : Applied to Aircraft Modelling and Optimization

    OpenAIRE

    Amadori, Kristian

    2012-01-01

    Product development processes are continuously challenged by demands for increased efficiency. As engineering products become more and more complex, efficient tools and methods for integrated and automated design are needed throughout the development process. Multidisciplinary Design Optimization (MDO) is one promising technique that has the potential to drastically improve concurrent design. MDO frameworks combine several disciplinary models with the aim of gaining a holistic perspective of ...

  11. Optimized Radiator Geometries for Hot Lunar Thermal Environments

    Science.gov (United States)

    Ochoa, Dustin

    2013-01-01

    The optimum radiator configuration in hot lunar thermal environments is one in which the radiator is parallel to the ground and has no view to the hot lunar surface. However, typical spacecraft configurations have limited real estate available for top-mounted radiators, resulting in a desire to use the spacecraft's vertically oriented sides. Vertically oriented, flat panel radiators will have a large view factor to the lunar surface, and thus will be subjected to significant incident lunar infrared heat. Consequently, radiator fluid temperatures will need to exceed approximately 325 K (assuming standard spacecraft radiator optical properties) in order to provide positive heat rejection at lunar noon. Such temperatures are too high for crewed spacecraft applications in which a heat pump is to be avoided. A recent study of vertically oriented radiator configurations subjected to lunar noon thermal environments led to the discovery of a novel radiator concept that yielded positive heat rejection at lower fluid temperatures. This radiator configuration, called the Intense Thermal Infrared Reflector (ITIR), has exhibited superior performance to all previously analyzed concepts in terms of heat rejection in the lunar noon thermal environment. A key benefit of ITIR is the absence of louvers or other moving parts and its simple geometry (no parabolic shapes). ITIR consists of a specularly reflective shielding surface and a diffuse radiating surface joined to form a horizontally oriented V-shape (shielding surface on top). The point of intersection of these surfaces is defined by two angles, those which define the tilt of each surface with respect to the local horizontal. The optimum set of these angles is determined on a case-by-case basis. The idea assumes minimal conductive heat transfer between shielding and radiating surfaces, and a practical design would likely stack sets of these surfaces on top of one another to reduce radiator thickness.

  12. Optimization methodology for large scale fin geometry on the steel containment of a Public Acceptable Simple SMR (PASS)

    International Nuclear Information System (INIS)

    Kim, Do Yun; NO, Hee Cheon; Kim, Ho Sik

    2015-01-01

    Highlights: • Optimization methodology for fin geometry on the steel containment is established. • Optimum spacing is 7 cm in PASS containment. • Optimum thickness is 0.9–1.8 cm when a fin height is 10–25 cm. • Optimal fin geometry is determined in given fin height by overall effectiveness correlation. • 13% of material volume and 43% of containment volume are reduced by using fins. - Abstracts: Heat removal capability through a steel containment is important in accident situations to preserve the integrity of a nuclear power plant which adopts a steel containment concept. A heat transfer rate will be enhanced by using fins on the external surface of the steel containment. The fins, however, cause to increase flow resistance and to deteriorate the heat transfer rate at the same time. Therefore, this study investigates an optimization methodology of large scale fin geometry for a vertical base where a natural convection flow regime is turbulent. Rectangular plate fins adopted in the steel containment of a Public Acceptable Simple SMR (PASS) is used as a reference. The heat transfer rate through the fins is obtained from CFD tools. In order to optimize fin geometry, an overall effectiveness concept is introduced as a fin performance parameter. The optimizing procedure is starting from finding optimum spacing. Then, optimum thickness is calculated and finally optimal fin geometry is suggested. Scale analysis is conducted to show the existence of an optimum spacing which turns out to be 7 cm in case of PASS. Optimum thickness is obtained by the overall effectiveness correlation, which is derived from a total heat transfer coefficient correlation. The total heat transfer coefficient correlation of a vertical fin array is suggested considering both of natural convection and radiation. However, the optimum thickness is changed as a fin height varies. Therefore, optimal fin geometry is obtained as a function of a fin height. With the assumption that the heat

  13. SPIRIT, Plot of Geometry and Results of 2-D Finite Elements Calculation

    International Nuclear Information System (INIS)

    Lambert, P.

    1977-01-01

    1 - Nature of the physical problem solved: SPIRIT plots the geometry and the results from a 2-D finite elements calculation. 2 - Method of solution: SPIRIT uses the Benson-Lehner graph plotter. The programme will draw each separate element of the mesh according to the description supplied and a complete picture of the mesh is therefore built up. The program can also construct an isothermal distribution using straight lines. Each line is constructed considering each element in isolation. 3 - Restrictions on the complexity of the problem: The program deals only with bodies entirely contained in the first quadrant and the x-coordinates should be less than 20.0

  14. Approximate albedo boundary conditions for energy multigroup X,Y-geometry discrete ordinates nuclear global calculations

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Davi J.M.; Nunes, Carlos E.A.; Alves Filho, Hermes; Barros, Ricardo C., E-mail: davijmsilva@yahoo.com.br, E-mail: ceanunes@yahoo.com.br, E-mail: rcbarros@pq.cnpq.br [Secretaria Municipal de Educacao de Itaborai, RJ (Brazil); Universidade Estacio de Sa (UNESA), Rio de Janeiro, RJ (Brazil); Universidade do Estado do Rio de Janeiro (UERJ), Novra Friburgo, RJ (Brazil). Instituto Politecnico. Departamento de Modelagem Computacional

    2017-11-01

    Discussed here is the accuracy of approximate albedo boundary conditions for energy multigroup discrete ordinates (S{sub N}) eigenvalue problems in two-dimensional rectangular geometry for criticality calculations in neutron fission reacting systems, such as nuclear reactors. The multigroup (S{sub N}) albedo matrix substitutes approximately the non-multiplying media around the core, e.g., baffle and reflector, as we neglect the transverse leakage terms within these non-multiplying regions. Numerical results to a typical model problem are given to illustrate the accuracy versus the computer running time. (author)

  15. PN solutions for the slowing-down and the cell calculation problems in plane geometry

    International Nuclear Information System (INIS)

    Caldeira, Alexandre David

    1999-01-01

    In this work P N solutions for the slowing-down and cell problems in slab geometry are developed. To highlight the main contributions of this development, one can mention: the new particular solution developed for the P N method applied to the slowing-down problem in the multigroup model, originating a new class of polynomials denominated Chandrasekhar generalized polynomials; the treatment of a specific situation, known as a degeneracy, arising from a particularity in the group constants and the first application of the P N method, for arbitrary N, in criticality calculations at the cell level reported in literature. (author)

  16. Geometry optimization of antimuscarinic, anticholinergic and antispasmodic aprophen hydrochloride

    International Nuclear Information System (INIS)

    Bano, F.; Akhter, N.

    2013-01-01

    Aprophen hydrochloride extensively used as anticholinergic, antimuscarinnin and antispasmodic agent. Structure based drug designed is based on the firm understanding of molecular recognition between active site group and interacting molecules ,it is strategy that become as integral part of modem drug discovery. The aim of present study is find out the minimum potential energy for aprophen hydrochloride. The potential energy of the molecule in molecular mechanics calculated by using force field concept. Potential energy effect the inter action of drug molecule with receptor these properties could be use to synthesize new drug candidates with improve pharmacological and therapeutic activity. (author)

  17. Antenna array geometry optimization for a passive coherent localisation system

    Science.gov (United States)

    Knott, Peter; Kuschel, Heiner; O'Hagan, Daniel

    2012-11-01

    Passive Coherent Localisation (PCL), also known as Passive Radar, making use of RF sources of opportunity such as Radio or TV Broadcasting Stations, Cellular Phone Network Base Stations, etc. is an advancing technology for covert operation because no active radar transmitter is required. It is also an attractive addition to existing active radar stations because it has the potential to discover low-flying and low-observable targets. The CORA (Covert Radar) experimental passive radar system currently developed at Fraunhofer-FHR features a multi-channel digital radar receiver and a circular antenna array with separate elements for the VHF- and the UHF-range and is used to exploit alternatively Digital Audio (DAB) or Video Broadcasting (DVB-T) signals. For an extension of the system, a wideband antenna array is being designed for which a new discone antenna element has been developed covering the full DVB-T frequency range. The present paper describes the outline of the system and the numerical modelling and optimisation methods applied to solve the complex task of antenna array design: Electromagnetic full wave analysis is required for the parametric design of the antenna elements while combinatorial optimization methods are applied to find the best array positions and excitation coefficients for a regular omni-directional antenna performance. The different steps are combined in an iterative loop until the optimum array layout is found. Simulation and experimental results for the current system will be shown.

  18. A co-ordinate system for reactor physics calculations in hexagonal geometry

    International Nuclear Information System (INIS)

    Burte, D.P.

    1990-01-01

    A method for generating all the geometric information concerning typical reactor physics calculations for a basically hexagonal reactor core or its sector involving any of the possible symmetries is presented. The geometrically allowed symmetries for regular hexagons are discussed. The approach is based on the choice of a suitable co-ordinate system, viz. one using three coplanar (including one redundant) axes, each at 120 0 with its cyclically preceding one. A code named KEKULE' is developed for a 2-D, finite difference, one-group diffusion analysis of a hexagonal core using the approach. It can cater to a full hexagonal core as well as to any symmetric sectorial part of it. The main feature of the code is that the input concerning geometry is a bare minimum. It is hoped that the approach presented will be useful even for the calculations for hexagonal fuel assemblies. (author)

  19. Reconstruction of pin burnup characteristics from nodal calculations in hexagonal geometry

    International Nuclear Information System (INIS)

    Yang, W.S.; Finck, P.J.; Khalil, H.S.

    1990-01-01

    A reconstruction method has been developed for recovering pin burnup characteristics from fuel cycle calculations performed in hexagonal-z geometry using the nodal diffusion option of the DIF3D/REBUS-3 code system. Intra-modal distributions of group fluxes, nuclide densities, power density, burnup, and fluence are efficiently computed using polynomial shapes constrained to satisfy nodal information. The accuracy of the method has been tested by performing several numerical benchmark calculations and by comparing predicted local burnups to values measured for experimental assemblies in EBR-11. The results indicate that the reconstruction methods are quite accurate, yielding maximum errors in power and nuclide densities that are less than 2% for driver assemblies and typically less than 5% for blanket assemblies. 14 refs., 2 figs., 5 tabs

  20. Angular quadrature generator for neutron transport SN calculations in slab geometry with arbitrary arithmetic precision

    International Nuclear Information System (INIS)

    Dominguez, Dany S.; Oliveira, Francisco B.S.; Barros, Ricardo C.

    2003-01-01

    We present in this paper a multiplatform computational code to calculate elements of Gauss-Legendre angular quadrature sets of arbitrary order used in slab-geometry discrete ordinates (S N ) formulation of neutron transport equation. In the code, the values can be computed with arbitrary arithmetic precision based on the approach of exact computing floating-point numbers. Calculation routines have been developed in the common language ANSI C using standard compiler gcc and the libraries of the open code GMP (GNU Multi precision Library). The code has a graphical interface in order to facilitate user interaction and numerical results analysis. The code architecture allows it to run on different platforms such as Unix, Linux and Windows. Numerical results and performance measures are also given. (author)

  1. Calculations of the possible consequences of molten fuel sodium interactions in subassembly and whole core geometries

    International Nuclear Information System (INIS)

    Coddington, P.; Fishlock, T.P.; Jakeman, D.

    1976-01-01

    The possible consequences of molten fuel sodium interactions are calculated using various modelling assumptions and key parameters. And the significance of the choice of assumptions and parameters are discussed. As for subassembly geometry, the results of one-dimensional code EXPEL are compared with the solutions of the one-dimensional Lagrangian equations of a compressible fluid (TOPAL was used). The adequacy of acoustic approximation used in EXPEL is discussed here. The effects of heat transfer time constant on the behaviour of peak pressure are also analyzed by parametric surveys. Other items investigated are the length and position of the interacting zone, the existence of a non-condensable gas volume, and the vapour condensation on cold clad. As for whole core geometry, a simple dynamical model of arc expanding spherical interacting zone immersed in a semi-infinite sea of cold liquid was used (SHORE code). Within the interacting zone a simple heat transfer model (including a heat transfer time and a fragmentation time) was adopted. Vapour blanketing was considered in a number of ways. Representative results of the calculations are given in a table. Containment studies were also performed for ''ducted'' design and ''open pool'' design. The development of new codes in the U.K. for these analysis are also briefly described. (Aoki, K.)

  2. The use of many-body expansions and geometry optimizations in fragment-based methods.

    Science.gov (United States)

    Fedorov, Dmitri G; Asada, Naoya; Nakanishi, Isao; Kitaura, Kazuo

    2014-09-16

    many-body expansion in a formally two-body series, as exemplified in the development of the fragment molecular orbital (FMO) method. Fragment-based methods have been very successful in delivering the properties of fragments, as well as the fragment interactions, providing insights into complex chemical processes in large molecular systems. We briefly review geometry optimizations performed with fragment-based methods and present an efficient geometry optimization method based on the combination of FMO with molecular mechanics (MM), applied to the complex of a subunit of protein kinase 2 (CK2) with a ligand. FMO results are discussed in comparison with experimental and MM-optimized structures.

  3. The nodal discrete-ordinate transport calculation of anisotropy scattering problem in three-dimensional cartesian geometry

    International Nuclear Information System (INIS)

    Wu Hongchun; Xie Zhongsheng; Zhu Xuehua

    1994-01-01

    The nodal discrete-ordinate transport calculating model of anisotropy scattering problem in three-dimensional cartesian geometry is given. The computing code NOTRAN/3D has been encoded and the satisfied conclusion is gained

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

    International Nuclear Information System (INIS)

    Jin, X.

    2001-04-01

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

  5. Energy mesh optimization for multi-level calculation schemes

    International Nuclear Information System (INIS)

    Mosca, P.; Taofiki, A.; Bellier, P.; Prevost, A.

    2011-01-01

    The industrial calculations of third generation nuclear reactors are based on sophisticated strategies of homogenization and collapsing at different spatial and energetic levels. An important issue to ensure the quality of these calculation models is the choice of the collapsing energy mesh. In this work, we show a new approach to generate optimized energy meshes starting from the SHEM 281-group library. The optimization model is applied on 1D cylindrical cells and consists of finding an energy mesh which minimizes the errors between two successive collision probability calculations. The former is realized over the fine SHEM mesh with Livolant-Jeanpierre self-shielded cross sections and the latter is performed with collapsed cross sections over the energy mesh being optimized. The optimization is done by the particle swarm algorithm implemented in the code AEMC and multigroup flux solutions are obtained from standard APOLLO2 solvers. By this new approach, a set of new optimized meshes which encompass from 10 to 50 groups has been defined for PWR and BWR calculations. This set will allow users to adapt the energy detail of the solution to the complexity of the calculation (assembly, multi-assembly, two-dimensional whole core). Some preliminary verifications, in which the accuracy of the new meshes is measured compared to a direct 281-group calculation, show that the 30-group optimized mesh offers a good compromise between simulation time and accuracy for a standard 17 x 17 UO 2 assembly with and without control rods. (author)

  6. A COMPARISON OF MEASURED AND CALCULATED GAMMA RAY ATTENUATION FOR A COMMON COUNTING GEOMETRY

    International Nuclear Information System (INIS)

    Gaylord, R F

    2004-01-01

    In order to perform quantitative gamma spectroscopy, it is necessary to know the sample-specific detection efficiency for photons as a function of energy. The detection efficiency, along with the branching ratio for the isotope and gamma ray of interest, is used to convert observed counts/second to actual disintegrations/second, and, hence, has a large effect on the accuracy of the measurement. In cases where the geometry of the source is simple and reproducible, such as a point source, small vial of solid, or jar of liquid, geometry-specific standards may be counted to determine the detection efficiency. In cases where the samples are large, irregular, or unique, this method generally cannot be used. For example, it is impossible to obtain a NIST-traceable standard glovebox or 55-gallon drum. In these cases, a combination of measured absolute detector efficiency and calculated sample-specific correction factors is commonly used. The correction factors may be calculated via Monte Carlo simulation of the item (the method used by Canberra's ISOCS system), or via semi-empirical calculation of matrix and container attenuations based on the thickness and composition of the container and radioactive matrix (ISOTOPIC by EG and G Ortec uses this method). The accuracy of these correction factors for specific geometries is often of vital interest when assessing the quality of gamma spectroscopy data. During the Building 251 Risk-Reduction Project, over 100 samples of high activity actinides will be characterized via gamma spectroscopy, typically without removing the material from the current storage containers. Most of the radioactive materials in B-251 are stored in cylindrical stainless steel canisters (called USV containers, after the Underground Storage Vaults they are commonly stored in), 13 cm in diameter, by 28 cm high, with walls that are 1.8 mm thick. While the actual samples have a variety of configurations inside the USV container, a very common configuration is

  7. First steps towards geometry optimization for Spectrometer Straw Tracker of SHiP detector

    CERN Document Server

    Solovev, Vladimir

    2017-01-01

    This report contains details of CERN Summer Student project which was performed for SHiP experiment (Search for Hidden Particles). The main aim of the project is optimization of Spectrometer Straw Tracker (SST) geometry implemented in FairSHiP simulation program.

  8. Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method

    DEFF Research Database (Denmark)

    Christensen, A. S.; Svendsen, Casper Steinmann; Fedorov, D. G.

    2014-01-01

    while the rest of the system is treated at the RHF level. MP2 geometry optimization is found to lower the barrier by up to 3.5 kcal/mol compared to RHF optimzations and ONIOM energy refinement and leads to a smoother convergence with respect to the basis set for the reaction profile. For double zeta...

  9. Influence of boundary geometry in domain wall propagation in magnetic films with asymmetric holes: Micromagnetic calculations

    International Nuclear Information System (INIS)

    Alija, A; Sobrado, I; Rodriguez-RodrIguez, G; Velez, M; Alameda, J M; MartIn, J I; Parrondo, J M R

    2010-01-01

    Micromagnetic simulations have been performed in uniaxial magnetic films with 2D array of asymmetric arrow shape holes. In order to understand the asymmetric pinning potential created by the holes, different boundary geometries conditions are used on the simulations. The depinning fields for forward and backward domain wall propagation have been calculated by the analysis of the energy landscapes as a function of the domain wall position. Domain wall depinning occurs preferentially at the free ends of the domain wall at the film boundaries. We have found that the domain wall propagation is different at the top/bottom boundaries of the simulated film which can be understood in terms of the magnetostatic energy and the chirality of the domain wall.

  10. A direct hybrid SN method for slab-geometry lattice calculations

    International Nuclear Information System (INIS)

    Silva, Davi J.M.; Barros, Ricardo C.; Zani, Jose H.

    2011-01-01

    In this work we describe a hybrid direct method for calculating the thermal disadvantage factor and the neutron flux distribution in fuel-moderator lattices. For the mathematical model, we use the one-speed slab-geometry discrete ordinates (S N ) transport equation with linearly anisotropic scattering. The basic idea is to use higher order angular quadrature set in the highly absorbing fuel region (S NF ) and lower order angular quadrature set in the diffusive moderator region (S NM ) , i.e., N F > N M . We apply special continuity conditions based on the equivalence of the S N and P N-1 equations, which characterize the hybrid model. Numerical results to a typical model problem are given to illustrate the accuracy and the efficiency of the offered hybrid method. (author)

  11. A direct hybrid S{sub N} method for slab-geometry lattice calculations

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Davi J.M.; Barros, Ricardo C., E-mail: rcbarros@pq.cnpq.b [Universidade do Estado do Rio de Janeiro (IPRJ/UERJ), Nova Friburgo, RJ (Brazil). Programa de Pos-graduacao em Modelagem Computacional; Zani, Jose H. [Fundacao Educacional Serra dos Orgaos, Teresopolis, RJ (Brazil). Ciencia da Computacao

    2011-07-01

    In this work we describe a hybrid direct method for calculating the thermal disadvantage factor and the neutron flux distribution in fuel-moderator lattices. For the mathematical model, we use the one-speed slab-geometry discrete ordinates (S{sub N}) transport equation with linearly anisotropic scattering. The basic idea is to use higher order angular quadrature set in the highly absorbing fuel region (S{sub NF}) and lower order angular quadrature set in the diffusive moderator region (S{sub NM}) , i.e., N{sub F} > N{sub M}. We apply special continuity conditions based on the equivalence of the S{sub N} and P{sub N-1} equations, which characterize the hybrid model. Numerical results to a typical model problem are given to illustrate the accuracy and the efficiency of the offered hybrid method. (author)

  12. Calculating corrections in F-theory from refined BPS invariants and backreacted geometries

    Energy Technology Data Exchange (ETDEWEB)

    Poretschkin, Maximilian

    2015-07-01

    This thesis presents various corrections to F-theory compactifications which rely on the computation of refined Bogomol'nyi-Prasad-Sommerfield (BPS) invariants and the analysis of backreacted geometries. Detailed information about rigid supersymmetric theories in five dimensions is contained in an index counting refined BPS invariants. These BPS states fall into representations of SU(2){sub L} x SU(2){sub R}, the little group in five dimensions, which has an induced action on the cohomology of the moduli space of stable pairs. In the first part of this thesis, we present the computation of refined BPS state multiplicities associated to M-theory compactifications on local Calabi-Yau manifolds whose base is given by a del Pezzo or half K3 surface. For geometries with a toric realization we use an algorithm which is based on the Weierstrass normal form of the mirror geometry. In addition we use the refined holomorphic anomaly equation and the gap condition at the conifold locus in the moduli space in order to perform the direct integration and to fix the holomorphic ambiguity. In a second approach, we use the refined Goettsche formula and the refined modular anomaly equation that govern the (refined) genus expansion of the free energy of the half K3 surface. By this procedure, we compute the refined BPS invariants of the half K3 from which the results of the remaining del Pezzo surfaces are obtained by flop transitions and blow-downs. These calculations also make use of the high symmetry of the del Pezzo surfaces whose homology lattice contains the root lattice of exceptional Lie algebras. In cases where both approaches are applicable, we successfully check the compatibility of these two methods. In the second part of this thesis, we apply the results obtained from the calculation of the refined invariants of the del Pezzo respectively the half K3 surfaces to count non-perturbative objects in F-theory. The first application is given by BPS states of the E

  13. Rhombicuboctahedron unit cell based scaffolds for bone regeneration: geometry optimization with a mechanobiology - driven algorithm.

    Science.gov (United States)

    Boccaccio, Antonio; Fiorentino, Michele; Uva, Antonio E; Laghetti, Luca N; Monno, Giuseppe

    2018-02-01

    In a context more and more oriented towards customized medical solutions, we propose a mechanobiology-driven algorithm to determine the optimal geometry of scaffolds for bone regeneration that is the most suited to specific boundary and loading conditions. In spite of the huge number of articles investigating different unit cells for porous biomaterials, no studies are reported in the literature that optimize the geometric parameters of such unit cells based on mechanobiological criteria. Parametric finite element models of scaffolds with rhombicuboctahedron unit cell were developed and incorporated into an optimization algorithm that combines them with a computational mechanobiological model. The algorithm perturbs iteratively the geometry of the unit cell until the best scaffold geometry is identified, i.e. the geometry that allows to maximize the formation of bone. Performances of scaffolds with rhombicuboctahedron unit cell were compared with those of other scaffolds with hexahedron unit cells. We found that scaffolds with rhombicuboctahedron unit cell are particularly suited for supporting medium-low loads, while, for higher loads, scaffolds with hexahedron unit cells are preferable. The proposed algorithm can guide the orthopaedic/surgeon in the choice of the best scaffold to be implanted in a patient-specific anatomic region. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Geometry Design Optimization of Functionally Graded Scaffolds for Bone Tissue Engineering: A Mechanobiological Approach.

    Directory of Open Access Journals (Sweden)

    Antonio Boccaccio

    Full Text Available Functionally Graded Scaffolds (FGSs are porous biomaterials where porosity changes in space with a specific gradient. In spite of their wide use in bone tissue engineering, possible models that relate the scaffold gradient to the mechanical and biological requirements for the regeneration of the bony tissue are currently missing. In this study we attempt to bridge the gap by developing a mechanobiology-based optimization algorithm aimed to determine the optimal graded porosity distribution in FGSs. The algorithm combines the parametric finite element model of a FGS, a computational mechano-regulation model and a numerical optimization routine. For assigned boundary and loading conditions, the algorithm builds iteratively different scaffold geometry configurations with different porosity distributions until the best microstructure geometry is reached, i.e. the geometry that allows the amount of bone formation to be maximized. We tested different porosity distribution laws, loading conditions and scaffold Young's modulus values. For each combination of these variables, the explicit equation of the porosity distribution law-i.e the law that describes the pore dimensions in function of the spatial coordinates-was determined that allows the highest amounts of bone to be generated. The results show that the loading conditions affect significantly the optimal porosity distribution. For a pure compression loading, it was found that the pore dimensions are almost constant throughout the entire scaffold and using a FGS allows the formation of amounts of bone slightly larger than those obtainable with a homogeneous porosity scaffold. For a pure shear loading, instead, FGSs allow to significantly increase the bone formation compared to a homogeneous porosity scaffolds. Although experimental data is still necessary to properly relate the mechanical/biological environment to the scaffold microstructure, this model represents an important step towards

  15. Development of Geometry Optimization Methodology with In-house CFD code, and Challenge in Applying to Fuel Assembly

    International Nuclear Information System (INIS)

    Jeong, J. H.; Lee, K. L.

    2016-01-01

    The wire spacer has important roles to avoid collisions between adjacent rods, to mitigate a vortex induced vibration, and to enhance convective heat transfer by wire spacer induced secondary flow. Many experimental and numerical works has been conducted to understand the thermal-hydraulics of the wire-wrapped fuel bundles. There has been enormous growth in computing capability. Recently, a huge increase of computer power allows to three-dimensional simulation of thermal-hydraulics of wire-wrapped fuel bundles. In this study, the geometry optimization methodology with RANS based in-house CFD (Computational Fluid Dynamics) code has been successfully developed in air condition. In order to apply the developed methodology to fuel assembly, GGI (General Grid Interface) function is developed for in-house CFD code. Furthermore, three-dimensional flow fields calculated with in-house CFD code are compared with those calculated with general purpose commercial CFD solver, CFX. The geometry optimization methodology with RANS based in-house CFD code has been successfully developed in air condition. In order to apply the developed methodology to fuel assembly, GGI function is developed for in-house CFD code as same as CFX. Even though both analyses are conducted with same computational meshes, numerical error due to GGI function locally occurred in only CFX solver around rod surface and boundary region between inner fluid region and outer fluid region.

  16. Geometry Optimization Approaches of Inductively Coupled Printed Spiral Coils for Remote Powering of Implantable Biomedical Sensors

    Directory of Open Access Journals (Sweden)

    Sondos Mehri

    2016-01-01

    Full Text Available Electronic biomedical implantable sensors need power to perform. Among the main reported approaches, inductive link is the most commonly used method for remote powering of such devices. Power efficiency is the most important characteristic to be considered when designing inductive links to transfer energy to implantable biomedical sensors. The maximum power efficiency is obtained for maximum coupling and quality factors of the coils and is generally limited as the coupling between the inductors is usually very small. This paper is dealing with geometry optimization of inductively coupled printed spiral coils for powering a given implantable sensor system. For this aim, Iterative Procedure (IP and Genetic Algorithm (GA analytic based optimization approaches are proposed. Both of these approaches implement simple mathematical models that approximate the coil parameters and the link efficiency values. Using numerical simulations based on Finite Element Method (FEM and with experimental validation, the proposed analytic approaches are shown to have improved accurate performance results in comparison with the obtained performance of a reference design case. The analytical GA and IP optimization methods are also compared to a purely Finite Element Method based on numerical optimization approach (GA-FEM. Numerical and experimental validations confirmed the accuracy and the effectiveness of the analytical optimization approaches to design the optimal coil geometries for the best values of efficiency.

  17. Influence of Steam Reforming Catalyst Geometry on the Performance of Tubular Reformer – Simulation Calculations

    Directory of Open Access Journals (Sweden)

    Franczyk Ewelina

    2015-06-01

    Full Text Available A proper selection of steam reforming catalyst geometry has a direct effect on the efficiency and economy of hydrogen production from natural gas and is a very important technological and engineering issue in terms of process optimisation. This paper determines the influence of widely used seven-hole grain diameter (ranging from 11 to 21 mm, h/d (height/diameter ratio of catalyst grain and Sh/St (hole surface/total cylinder surface in cross-section ratio (ranging from 0.13 to 0.37 on the gas load of catalyst bed, gas flow resistance, maximum wall temperature and the risk of catalyst coking. Calculations were based on the one-dimensional pseudo-homogeneous model of a steam reforming tubular reactor, with catalyst parameters derived from our investigations. The process analysis shows that it is advantageous, along the whole reformer tube length, to apply catalyst forms of h/d = 1 ratio, relatively large dimensions, possibly high bed porosity and Sh/St ≈ 0.30-0.37 ratio. It enables a considerable process intensification and the processing of more natural gas at the same flow resistance, despite lower bed activity, without catalyst coking risk. Alternatively, plant pressure drop can be reduced maintaining the same gas load, which translates directly into diminishing the operating costs as a result of lowering power consumption for gas compression.

  18. Calculation of coincidence summing corrections for a specific small soil sample geometry

    Energy Technology Data Exchange (ETDEWEB)

    Helmer, R.G.; Gehrke, R.J.

    1996-10-01

    Previously, a system was developed at the INEL for measuring the {gamma}-ray emitting nuclides in small soil samples for the purpose of environmental monitoring. These samples were counted close to a {approx}20% Ge detector and, therefore, it was necessary to take into account the coincidence summing that occurs for some nuclides. In order to improve the technical basis for the coincidence summing corrections, the authors have carried out a study of the variation in the coincidence summing probability with position within the sample volume. A Monte Carlo electron and photon transport code (CYLTRAN) was used to compute peak and total efficiencies for various photon energies from 30 to 2,000 keV at 30 points throughout the sample volume. The geometry for these calculations included the various components of the detector and source along with the shielding. The associated coincidence summing corrections were computed at these 30 positions in the sample volume and then averaged for the whole source. The influence of the soil and the detector shielding on the efficiencies was investigated.

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

    Indian Academy of Sciences (India)

    However, no reliable method for quantitative analysis of clay minerals has been established so far. In this study, an attempt was made to propose an optimization method for the quantitative ... 2. Basic principles. The mineralogical constitution of soil is rather complex. ... K2O, MgO, and TFe as variables for the calculation.

  20. An approach to multiobjective optimization of rotational therapy. II. Pareto optimal surfaces and linear combinations of modulated blocked arcs for a prostate geometry.

    Science.gov (United States)

    Pardo-Montero, Juan; Fenwick, John D

    2010-06-01

    comprising two regions: One where the dose to the target is close to prescription and trade-offs can be made between doses to the organs at risk and (small) changes in target dose, and one where very substantial rectal sparing is achieved at the cost of large target underdosage. Plans computed following the approach using a conformal arc and four blocked arcs generally lie close to the Pareto front, although distances of some plans from high gradient regions of the Pareto front can be greater. Only around 12% of plans lie a relative Euclidean distance of 0.15 or greater from the Pareto front. Using the alternative distance measure of Craft ["Calculating and controlling the error of discrete representations of Pareto surfaces in convex multi-criteria optimization," Phys. Medica (to be published)], around 2/5 of plans lie more than 0.05 from the front. Computation of blocked arcs is quite fast, the algorithms requiring 35%-80% of the running time per iteration needed for conventional inverse plan computation. The geometry-based arc approach to multicriteria optimization of rotational therapy allows solutions to be obtained that lie close to the Pareto front. Both the image-reconstruction type and gradient-descent algorithms produce similar modulated arcs, the latter one perhaps being preferred because it is more easily implementable in standard treatment planning systems. Moderate unblocking provides a good way of dealing with OARs which abut the PTV. Optimization of geometry-based arcs is faster than usual inverse optimization of treatment plans, making this approach more rapid than an inverse-based Pareto front reconstruction.

  1. Determination of in-service change in the geometry of WWER-1000 core baffle: Calculations and measurements

    International Nuclear Information System (INIS)

    Margolin, B.Z.; Varovin, A.Y.; Minkin, A.J.; Sorokin, A.A.; Piminov, V.A.; Evdokimenko, V.V.; Fedosovsky, M.E.; Sherstobitov, A.E.; Ovchinnikov, A.G.; Pikulik, S.S.; Erak, D.Y.; Bobkov, A.V.; Timofeev, A.M.; Timokhin, V.I.; Yakushev, S.V.; Vasiliev, V.G.

    2015-01-01

    The paper gives the basic constitutive equations describing radiation swelling and creep depending on neutron dose, irradiation temperature and triaxial stress state, and justifies these equations experimentally. The WWER-1000 core baffle change in geometry was calculated by different models describing the effect of stresses on radiation swelling. The calculated results are compared with the measured ones for the operating WWER-1000 core baffle at the Balakovo NPP, Unit 1. A method of individual prediction of core baffle geometry change on the basis of the measurement results has been proposed. (authors)

  2. The optimization of the electrostatic field inside the ZEUS forward drift chambers: Calculations and measurements

    International Nuclear Information System (INIS)

    Dobberstein, M.P.; Krawczyk, F.; Schaefer-Jotter, M.

    1990-11-01

    The electrostatic field inside small drift cells shows in general edge effects which are not negligible. These are usually corrected by field shaping wires or strips. The operating voltages of the field shaping electrodes have to be adjusted to maximize the field homogeneity. We present the underlying ideas of such an optimization procedure for the cells of the ZEUS forward drift chambers. Using the finite difference code PROFI, the optimization can be performed automatically by a multiple solution of the Poisson equation. An experimental verification of the optimal voltages was carried out measuring the gas amplifications at the six sense wires. Modifications of the drift cell geometry were necessary for calibration measurements with a laser beam. This caused additional distortions of the electrostatic field. Their influence was calculated using the MAFIA code, which allows to include open boundary conditions. (orig.)

  3. Calculations of the Possible Consequences of Molten Fuel Sodium Interactions in Subassembly and Whole Core Geometries

    International Nuclear Information System (INIS)

    Coddington, P.; Fishlock, T.P.; Jakeman, D.

    1976-01-01

    of any postulated SFI to be determined. Both subassembly and whole core geometries are considered. Modelling of an SFI has been kept as simple as possible since it does not appear that any more insight into the consequences of SFIs can be obtained by a more complex treatment. The preliminary results indicate that in assessing the importance of various characterisations of SFIs in determining damage following a nuclear excursion it is necessary to have a good representation of the geometry. It is intended in future studies to improve the calculation of heat loss from the expanding bubble and modifications are being made to the containment codes to include this. The effects of SFI on the fuel motion and the reactivity ramp rates associated with them are to be considered

  4. Process control and optimization with simple interval calculation method

    DEFF Research Database (Denmark)

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

    2006-01-01

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

  5. Optimal Spatial Subdivision method for improving geometry navigation performance in Monte Carlo particle transport simulation

    International Nuclear Information System (INIS)

    Chen, Zhenping; Song, Jing; Zheng, Huaqing; Wu, Bin; Hu, Liqin

    2015-01-01

    Highlights: • The subdivision combines both advantages of uniform and non-uniform schemes. • The grid models were proved to be more efficient than traditional CSG models. • Monte Carlo simulation performance was enhanced by Optimal Spatial Subdivision. • Efficiency gains were obtained for realistic whole reactor core models. - Abstract: Geometry navigation is one of the key aspects of dominating Monte Carlo particle transport simulation performance for large-scale whole reactor models. In such cases, spatial subdivision is an easily-established and high-potential method to improve the run-time performance. In this study, a dedicated method, named Optimal Spatial Subdivision, is proposed for generating numerically optimal spatial grid models, which are demonstrated to be more efficient for geometry navigation than traditional Constructive Solid Geometry (CSG) models. The method uses a recursive subdivision algorithm to subdivide a CSG model into non-overlapping grids, which are labeled as totally or partially occupied, or not occupied at all, by CSG objects. The most important point is that, at each stage of subdivision, a conception of quality factor based on a cost estimation function is derived to evaluate the qualities of the subdivision schemes. Only the scheme with optimal quality factor will be chosen as the final subdivision strategy for generating the grid model. Eventually, the model built with the optimal quality factor will be efficient for Monte Carlo particle transport simulation. The method has been implemented and integrated into the Super Monte Carlo program SuperMC developed by FDS Team. Testing cases were used to highlight the performance gains that could be achieved. Results showed that Monte Carlo simulation runtime could be reduced significantly when using the new method, even as cases reached whole reactor core model sizes

  6. Optimization of combustion chamber geometry for stoichiometric diesel combustion using a micro genetic algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sung Wook

    2010-11-15

    This paper describes the optimization of combustion chamber geometry and engine operating conditions for stoichiometric diesel combustion, targeting lower gross indicated specific fuel consumption. The KIVA code, coupled with a micro genetic algorithm population of nine for each generation was used. The optimization variables were composed of ten variables related to the combustion chamber geometry and engine operating conditions. In addition, an auto mesh generator was developed for generating various kinds of combustion chambers, such as open-crater, re-entrant, deep, and shallow types. In addition, the computational models were validated against the experimental results for a stoichiometric process in terms of the combustion pressure history and emissions. Through the preset optimization, a 35% improvement in the gross indicated that specific fuel consumption was achieved. In addition, the optimization results showed that the optimum engine operating conditions employed a premixed charge compression ignition combustion regime with early injection and a narrow spray included angle. Furthermore, a higher boost pressure was used to prevent fuel film formation. (author)

  7. Optimization of armour geometry and bonding techniques for tungsten-armoured high heat flux components

    International Nuclear Information System (INIS)

    Giniyatulin, R.N.; Komarov, V.L.; Kuzmin, E.G.; Makhankov, A.N.; Mazul, I.V.; Yablokov, N.A.; Zhuk, A.N.

    2002-01-01

    Joining of tungsten with copper-based cooling structure and armour geometry optimization are the major aspects in development of the tungsten-armoured plasma facing components (PFC). Fabrication techniques and high heat flux (HHF) tests of tungsten-armoured components have to reflect different PFC designs and acceptable manufacturing cost. The authors present the recent results of tungsten-armoured mock-ups development based on manufacturing and HHF tests. Two aspects were investigated--selection of armour geometry and examination of tungsten-copper bonding techniques. Brazing and casting tungsten-copper bonding techniques were used in small mock-ups. The mock-ups with armour tiles (20x5x10, 10x10x10, 20x20x10, 27x27x10) mm 3 in dimensions were tested by cyclic heat fluxes in the range of (5-20) MW/m 2 , the number of thermal cycles varied from hundreds to several thousands for each mock-up. The results of the tests show the applicability of different geometry and different bonding technique to corresponding heat loading. A medium-scale mock-up 0.6-m in length was manufactured and tested. HHF tests of the medium-scale mock-up have demonstrated the applicability of the applied bonding techniques and armour geometry for full-scale PFC's manufacturing

  8. Interactive three-dimensional visualization and creation of geometries for Monte Carlo calculations

    International Nuclear Information System (INIS)

    Theis, C.; Buchegger, K.H.; Brugger, M.; Forkel-Wirth, D.; Roesler, S.; Vincke, H.

    2006-01-01

    The implementation of three-dimensional geometries for the simulation of radiation transport problems is a very time-consuming task. Each particle transport code supplies its own scripting language and syntax for creating the geometries. All of them are based on the Constructive Solid Geometry scheme requiring textual description. This makes the creation a tedious and error-prone task, which is especially hard to master for novice users. The Monte Carlo code FLUKA comes with built-in support for creating two-dimensional cross-sections through the geometry and FLUKACAD, a custom-built converter to the commercial Computer Aided Design package AutoCAD, exists for 3D visualization. For other codes, like MCNPX, a couple of different tools are available, but they are often specifically tailored to the particle transport code and its approach used for implementing geometries. Complex constructive solid modeling usually requires very fast and expensive special purpose hardware, which is not widely available. In this paper SimpleGeo is presented, which is an implementation of a generic versatile interactive geometry modeler using off-the-shelf hardware. It is running on Windows, with a Linux version currently under preparation. This paper describes its functionality, which allows for rapid interactive visualization as well as generation of three-dimensional geometries, and also discusses critical issues regarding common CAD systems

  9. Application of optimal interation strategies to diffusion theory calculations

    International Nuclear Information System (INIS)

    Jones, R.B.

    1978-01-01

    The geometric interpretation of optimal (minimum computational time) iteration strategies is applied to one- and two-group, two-dimensional diffusion-theory calculations. The method is a ''spectral/time balance'' technique which weighs the convergence enhancement of the inner iteration procedure with that of the outer iteration loop and the time required to reconstruct the source. The diffusion-theory option of the discrete-ordinates transport code DOT3.5 was altered to incorporate the theoretical inner/outer decision logic. For the two-dimensional configuration considered, the optimal strategies reduced the total number of iterations performed for a given error criterion

  10. Improvements in practical applicability of NSHEX: nodal transport calculation code for three-dimensional hexagonal-Z geometry

    International Nuclear Information System (INIS)

    Sugino, Kazuteru

    1998-07-01

    As a tool to perform a fast reactor core calculations with high accuracy, NSHEX the nodal transport calculation code for three-dimensional hexagonal-Z geometry is under development. To improve the practical applicability of NSHEX, for instance, in its application to safety analysis and commercial reactor core design studies, we investigated the basic theory used in it, improved the program performance, and evaluated its applicability to the analysis of commercial reactor cores. The current studies show the following: (1) An improvement in the treatment of radial leakage in the radial nodal coupling equation bettered calculational convergence for safety analysis calculation, so the applicability of NSHEX to safety analysis was improved. (2) As a result of comparison of results from NSHEX and the standard core calculation code, it was confirmed that there was consistency between them. (3) According to the evaluation of the effect due to the difference of calculational condition, it was found that the calculation under appropriate nodal expansion orders and Sn orders correspond to the one under most detailed condition. However further investigation is required to reduce the uncertainty in calculational results due to the treatment of high order flux moments. (4) A whole core version of NSHEX enabling calculation for any FBR core geometry has been developed, this improved general applicability of NSHEX. (5) An investigation of the applicability of the rebalance method to acceleration clarified that this improved calculational convergence and it was effective. (J.P.N.)

  11. Calculation of optimal outdoor enclosure in the arctic conditions

    Science.gov (United States)

    Tarabukina, Sardaana; Simankina, Tatyana; Pykhtin, Kirill; Grabovyy, Kirill

    2017-10-01

    Definition of optimal thickness of thermal insulating materials, prevention of frost penetration and overheat and provision of proper thermal efficiency is an important problem in arctic conditions. This article demonstrates the results of thermotechnical calculations of enclosing constructions using SHADDAN software and economic calculations made in RIK software. These results allowed us to perform comparative analysis of two building technologies: «thermal block» and «render system». Both options met regulatory heat transfer requirements. However, regarding cost efficiency, use of «thermal blocks» technology is more effective in arctic conditions.

  12. CHOLESK, Diffusion Calculation with 2-D Source in X-Y or R-Z Geometry

    International Nuclear Information System (INIS)

    1988-01-01

    1 - Description of problem or function: Solution of the diffusion equation with source in two-dimensional geometries x-y or r-z. 2 - Method of solution: The finite-element method of Ritz-Galerkin is applied

  13. Variable-geometry turbocharger with asymmetric divided volute for engine exhaust gas pulse optimization

    Science.gov (United States)

    Serres, Nicolas

    2010-11-09

    A turbine assembly for a variable-geometry turbocharger includes a turbine housing defining a divided volute having first and second scrolls, wherein the first scroll has a substantially smaller volume than the second scroll. The first scroll feeds exhaust gas to a first portion of a turbine wheel upstream of the throat of the wheel, while the second scroll feeds gas to a second portion of the wheel at least part of which is downstream of the throat. Flow from the second scroll is regulated by a sliding piston. The first scroll can be optimized for low-flow conditions such that the turbocharger can operate effectively like a small fixed-geometry turbocharger when the piston is closed. The turbine housing defines an inlet that is divided by a dividing wall into two portions respectively feeding gas to the two scrolls, a leading edge of the dividing wall being downstream of the inlet mouth.

  14. 3D FEM Geometry and Material Flow Optimization of Porthole-Die Extrusion

    International Nuclear Information System (INIS)

    Ceretti, Elisabetta; Mazzoni, Luca; Giardini, Claudio

    2007-01-01

    The aim of this work is to design and to improve the geometry of a porthole-die for the production of aluminum components by means of 3D FEM simulations. In fact, the use of finite element models will allow to investigate the effects of the die geometry (webs, extrusion cavity) on the material flow and on the stresses acting on the die so to reduce the die wear and to improve the tool life. The software used to perform the simulations was a commercial FEM code, Deform 3D. The technological data introduced in the FE model have been furnished by METRA S.p.A. Company, partner in this research. The results obtained have been considered valid and helpful by the Company for building a new optimized extrusion porthole-die

  15. Optimized design for TWR assembly by CFD calculations

    International Nuclear Information System (INIS)

    Lu Jianchao; Lu Chuan; Yan Mingyu

    2013-01-01

    High temperature difference in travelling wave reactor bundle was found in the previous work. It could not be used in bundle design. Various analysis focused on helical wrapped wires and assembly housing was carried out by CFD calculation which found that the helical wrapped wires could influence the temperature differences while the effect was not obvious. Adding the strips and fillets on the assembly housing could optimize the thermal characteristics greatly, which can be used in the TWR assembly design. (authors)

  16. METHOD OF CALCULATING THE OPTIMAL HEAT EMISSION GEOTHERMAL WELLS

    Directory of Open Access Journals (Sweden)

    A. I. Akaev

    2015-01-01

    Full Text Available This paper presents a simplified method of calculating the optimal regimes of the fountain and the pumping exploitation of geothermal wells, reducing scaling and corrosion during operation. Comparative characteristics to quantify the heat of formation for these methods of operation under the same pressure at the wellhead. The problem is solved graphic-analytical method based on a balance of pressure in the well with the heat pump. 

  17. Application of a genetic algorithm in the conformational analysis of methylene-acetal-linked thymine dimers in DNA: Comparison with distance geometry calculations

    International Nuclear Information System (INIS)

    Beckers, Mischa L.M.; Buydens, Lutgarde M.C.; Pikkemaat, Jeroen A.; Altona, Cornelis

    1997-01-01

    The three-dimensional spatial structure of a methylene-acetal-linked thymine dimer present in a 10 base-pair (bp) sense-antisense DNA duplex was studied with a genetic algorithm designed to interpret NOE distance restraints. Trial solutions were represented by torsion angles. This means that bond angles for the dimer trial structures are kept fixed during the genetic algorithm optimization. Bond angle values were extracted from a 10 bp sense-antisense duplex model that was subjected to energy minimization by means of a modified AMBER force field. A set of 63 proton-proton distance restraints defining the methylene-acetal-linked thymine dimer was available. The genetic algorithm minimizes the difference between distances in the trial structures and distance restraints. A large conformational search space could be covered in the genetic algorithm optimization by allowing a wide range of torsion angles. The genetic algorithm optimization in all cases led to one family of structures. This family of the methylene-acetal-linked thymine dimer in the duplex differs from the family that was suggested from distance geometry calculations. It is demonstrated that the bond angle geometry around the methylene-acetal linkage plays an important role in the optimization

  18. Searching for optimal mitigation geometries for laser resistant multilayer high reflector coatings

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, S R; Wolfe, J E; Monterrosa, A M; Feit, M D; Pistor, T V; STolz, C J

    2011-02-11

    Growing laser damage sites on multilayer high reflector coatings can limit mirror performance. One of the strategies to improve laser damage resistance is to replace the growing damage sites with pre-designed benign mitigation structures. By mitigating the weakest site on the optic, the large aperture mirror will have a laser resistance comparable to the intrinsic value of the multilayer coating. To determine the optimal mitigation geometry, the finite difference time domain method (FDTD) was used to quantify the electric-field intensification within the multilayer, at the presence of different conical pits. We find that the field intensification induced by the mitigation pit is strongly dependent on the polarization and the angle of incidence (AOI) of the incoming wave. Therefore the optimal mitigation conical pit geometry is application specific. Furthermore, our simulation also illustrates an alternative means to achieve an optimal mitigation structure by matching the cone angle of the structure with the AOI of the incoming wave, except for the p-polarization wave at a range of incident angles between 30{sup o} and 45{sup o}.

  19. System geometry optimization for molecular breast tomosynthesis with focusing multi-pinhole collimators

    Science.gov (United States)

    van Roosmalen, Jarno; Beekman, Freek J.; Goorden, Marlies C.

    2018-01-01

    Imaging of 99mTc-labelled tracers is gaining popularity for detecting breast tumours. Recently, we proposed a novel design for molecular breast tomosynthesis (MBT) based on two sliding focusing multi-pinhole collimators that scan a modestly compressed breast. Simulation studies indicate that MBT has the potential to improve the tumour-to-background contrast-to-noise ratio significantly over state-of-the-art planar molecular breast imaging. The aim of the present paper is to optimize the collimator-detector geometry of MBT. Using analytical models, we first optimized sensitivity at different fixed system resolutions (ranging from 5 to 12 mm) by tuning the pinhole diameters and the distance between breast and detector for a whole series of automatically generated multi-pinhole designs. We evaluated both MBT with a conventional continuous crystal detector with 3.2 mm intrinsic resolution and with a pixelated detector with 1.6 mm pixels. Subsequently, full system simulations of a breast phantom containing several lesions were performed for the optimized geometry at each system resolution for both types of detector. From these simulations, we found that tumour-to-background contrast-to-noise ratio was highest for systems in the 7 mm-10 mm system resolution range over which it hardly varied. No significant differences between the two detector types were found.

  20. Calculations of reactivity based in the solution of the Neutron transport equation in X Y geometry and Lineal perturbation theory

    International Nuclear Information System (INIS)

    Valle G, E. del; Mugica R, C.A.

    2005-01-01

    In our country, in last congresses, Gomez et al carried out reactivity calculations based on the solution of the diffusion equation for an energy group using nodal methods in one dimension and the TPL approach (Lineal Perturbation Theory). Later on, Mugica extended the application to the case of multigroup so much so much in one as in two dimensions (X Y geometry) with excellent results. Presently work is carried out similar calculations but this time based on the solution of the neutron transport equation in X Y geometry using nodal methods and again the TPL approximation. The idea is to provide a calculation method that allows to obtain in quick form the reactivity solving the direct problem as well as the enclosed problem of the not perturbed problem. A test problem for the one that results are provided for the effective multiplication factor is described and its are offered some conclusions. (Author)

  1. Composite Thickness Optimization of Offshore Wind Turbine Blade with Fixed outer Geometry

    DEFF Research Database (Denmark)

    Sjølund, Jonas Heidemann; Lund, Erik

    2017-01-01

    With the objective of mass minimization, a 73-m offshore wind turbine blade is optimized using a gradient based approach on a Finite Element (FE) model. Constant loads and a fixed outer geometry are assumed. Plies of the same material and same orientation are grouped together in plygroups. The th....... The thicknesses of the plygroups are chosen as design variables. Manufacturing constraints such as ply-drops are taken into account using linear constraints. Structural constraints include buckling, tip displacement and max. strain failure indices....

  2. Optimization of geometry of annular seat valves suitable for Digital Displacement fluid power pumps/motors

    DEFF Research Database (Denmark)

    Rømer, Daniel; Johansen, Per; Pedersen, Henrik C.

    2013-01-01

    Digital Displacement Fluid Power is an upcoming technology setting new standards for the achievable efficiency of fluid power pumps and motors. The core element of the Digital Displacement technology is high performance electronically controlled seat valves, which must exhibit very low flow...... work an annular seat valve suitable for use in Digital Displacement units is considered, and the ring geometry is optimized using finite element analysis including non-linear material behaviour, contact elements and fluid pressure penetrating load, closely reflecting the actual load of the seat valve...

  3. Optimization of combustion chamber geometry for natural gas engines with diesel micro-pilot-induced ignition

    International Nuclear Information System (INIS)

    Wang, Bin; Li, Tie; Ge, Linlin; Ogawa, Hideyuki

    2016-01-01

    Highlights: • Combustion chamber geometry is optimized to reduce the HC/CO emissions. • CFD model is calibrated against the spray visualization and engine bench test data. • Design space is explored by the multi-objective NSGA-II with Kriging meta-model. • HC and CO emissions are respectively reduced by 56.47% and 33.55%. - Abstract: Smokeless, low nitrogen oxides (NOx), and high thermal efficiency have been achieved through the lean-burn concept for natural gas engine with diesel micro-pilot-induced ignition (MPII). However, the combustion chamber is usually not specialized for natural gas combustion, and increases in the unburned hydrocarbon (HC) and carbon monoxide (CO) emissions are still a challenge for this type of engines. This paper describes optimization of the combustion chamber geometry to reduce the HC and CO emissions and improve the combustion efficiency in the MPII natural gas engine. The 3-D computational fluid dynamics (CFD) simulation model coupled with a chemical reaction mechanism is described. The temporal development of the short-pulsed diesel spray in a high pressure constant-volume vessel is measured and used to calibrate the spray model in the CFD simulation. The simulation models are validated by the experimental data of the in-cylinder pressure trace, apparent heat release rate (AHRR) and exhaust gas emissions from a single-cylinder MPII natural gas engine. To generate the various combustion chamber geometries, the bowl outline is parameterized by the two cubic Bezier curves while keeping the compression ratio constant. The available design space is explored by the multi-objective non-dominated sorting genetic algorithm II (NSGA-II) with Kriging-based meta-model. With the optimization, the HC and CO emissions are reduced by 56.47% and 33.55%, respectively, while the NOx emissions, the maximum rate of pressure rise and the gross indicated thermal efficiency that are employed as the constraints are slightly improved. Finally, the

  4. Optimization of flat and horizontally curved neutron monochromators for given diffractometer geometries

    International Nuclear Information System (INIS)

    Graf, H.A.

    1983-08-01

    The computer program MONREF was written for calculating the integrated intensity and the k-vector distribution produced by mosaic-crystal monochromators in neutron diffractometers of given geometries. The program treats flat and horizontally curved monochromators in Bragg reflection. Its basic algorithm is derived from Zachariasen's coupled differential equations which were modified to include the case of asymmetrically cut crystals. The calculations are restricted to the scattering in the experimental plane. In the first part of the report the program and its applications are described. In the second part a compilation of intensities is presented, calculated for crystals of Cu, Si, Ge and pyrolytic graphite commonly used as monochromators, in a standard diffractometer configuration. (orig.)

  5. Multi-level iteration optimization for diffusive critical calculation

    International Nuclear Information System (INIS)

    Li Yunzhao; Wu Hongchun; Cao Liangzhi; Zheng Youqi

    2013-01-01

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

  6. Optimizing Inductor Winding Geometry for Lowest DC-Resistance using LiveLink between COMSOL and MATLAB

    DEFF Research Database (Denmark)

    Schneider, Henrik; Andersen, Thomas; Mønster, Jakob Døllner

    2013-01-01

    An optimization routine is presented to optimize a hybrid winding geometry for a toroid inductor in terms of the DC resistance. The hybrid winding geometry consist of bended foil pieces connected through traces in a printed circuit board. MATLAB is used to create a graphical user interface...... that visually plots the winding using input parameters such as core dimensions, number of turns, clearance between windings, and the winding angle of each segment of the winding. COMSOL LiveLink is used to import the winding geometry from MATLAB and create a 2D finite element model to simulate the DC...

  7. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

    Jin, X.

    2001-04-01

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

  9. Spur gears: Optimal geometry, methods for generation and Tooth Contact Analysis (TCA) program

    Science.gov (United States)

    Litvin, Faydor L.; Zhang, Jiao

    1988-01-01

    The contents of this report include the following: (1) development of optimal geometry for crowned spur gears; (2) methods for their generation; and (3) tooth contact analysis (TCA) computer programs for the analysis of meshing and bearing contact on the crowned spur gears. The method developed for synthesis is used for the determination of the optimal geometry for crowned pinion surface and is directed to reduce the sensitivity of the gears to misalignment, localize the bearing contact, and guarantee the favorable shape and low level of the transmission errors. A new method for the generation of the crowned pinion surface has been proposed. This method is based on application of the tool with a surface of revolution that slightly deviates from a regular cone surface. The tool can be used as a grinding wheel or as a shaver. The crowned pinion surface can also be generated by a generating plane whose motion is provided by an automatic grinding machine controlled by a computer. The TCA program simulates the meshing and bearing contact of the misaligned gears. The transmission errors are also determined.

  10. Comparison of optimization methods for electronic-structure calculations

    International Nuclear Information System (INIS)

    Garner, J.; Das, S.G.; Min, B.I.; Woodward, C.; Benedek, R.

    1989-01-01

    The performance of several local-optimization methods for calculating electronic structure is compared. The fictitious first-order equation of motion proposed by Williams and Soler is integrated numerically by three procedures: simple finite-difference integration, approximate analytical integration (the Williams-Soler algorithm), and the Born perturbation series. These techniques are applied to a model problem for which exact solutions are known, the Mathieu equation. The Williams-Soler algorithm and the second Born approximation converge equally rapidly, but the former involves considerably less computational effort and gives a more accurate converged solution. Application of the method of conjugate gradients to the Mathieu equation is discussed

  11. Calculation and optimization of laser acceleration in vacuum

    Directory of Open Access Journals (Sweden)

    Z. Huang

    2004-01-01

    Full Text Available Extraordinarily high fields generated by focused lasers are envisioned to accelerate particles to high energies. In this paper, we develop a new method to calculate laser acceleration in vacuum based on the energy exchange arising from the interference of the laser field with the radiation field of the particle. We apply this method to a simple accelerating structure, a perfectly conducting screen with a round hole, and show how to optimize the energy gain with respect to the hole radius, laser angle, and spot size, as well as the transverse profile of the laser. Limitations and energy scaling of this acceleration method are also discussed.

  12. Diffusion theory model for optimization calculations of cold neutron sources

    International Nuclear Information System (INIS)

    Azmy, Y.Y.

    1987-01-01

    Cold neutron sources are becoming increasingly important and common experimental facilities made available at many research reactors around the world due to the high utility of cold neutrons in scattering experiments. The authors describe a simple two-group diffusion model of an infinite slab LD 2 cold source. The simplicity of the model permits to obtain an analytical solution from which one can deduce the reason for the optimum thickness based solely on diffusion-type phenomena. Also, a second more sophisticated model is described and the results compared to a deterministic transport calculation. The good (particularly qualitative) agreement between the results suggests that diffusion theory methods can be used in parametric and optimization studies to avoid the generally more expensive transport calculations

  13. Inversion of self-potential anomalies caused by simple-geometry bodies using global optimization algorithms

    International Nuclear Information System (INIS)

    Göktürkler, G; Balkaya, Ç

    2012-01-01

    Three naturally inspired meta-heuristic algorithms—the genetic algorithm (GA), simulated annealing (SA) and particle swarm optimization (PSO)—were used to invert some of the self-potential (SP) anomalies originated by some polarized bodies with simple geometries. Both synthetic and field data sets were considered. The tests with the synthetic data comprised of the solutions with both noise-free and noisy data; in the tests with the field data some SP anomalies observed over a copper belt (India), graphite deposits (Germany) and metallic sulfide (Turkey) were inverted. The model parameters included the electric dipole moment, polarization angle, depth, shape factor and origin of the anomaly. The estimated parameters were compared with those from previous studies using various optimization algorithms, mainly least-squares approaches, on the same data sets. During the test studies the solutions by GA, PSO and SA were characterized as being consistent with each other; a good starting model was not a requirement to reach the global minimum. It can be concluded that the global optimization algorithms considered in this study were able to yield compatible solutions with those from widely used local optimization algorithms. (paper)

  14. MENENTUKAN PORTOFOLIO OPTIMAL PADA PASAR SAHAM YANG BERGERAK DENGAN MODEL GERAK BROWN GEOMETRI MULTIDIMENSI

    Directory of Open Access Journals (Sweden)

    RISKA YUNITA

    2015-06-01

    Full Text Available Model of stock price movements that follow stochastic process can be formulated in Stochastic Diferential Equation (SDE. The exact solution of SDE model is called Geometric Brownian Motion (GBM model. Determination the optimal portfolio of three asset that follows Multidimensional GBM model is to be carried out in this research.Multidimensional GBM model represents stock price in the future is affected by three parameter, there are expectation of stock return, risk stock, and correlation between stock return. Therefore, theory of portfolio Markowitz is used on formation of optimal portfolio. Portfolio Markowitz formulates three of same parameter that is calculated on Multidimensional GBM model. The result of this research are optimal portfolio reaches with the proportion of fund are 39,38% for stock BBCA, 59,82% for stock ICBP, and 0,80% for stock INTP. This proportion of fund represents value of parameters that is calculated on modelling stock price.

  15. The Mass-Longevity Triangle: Pareto Optimality and the Geometry of Life-History Trait Space

    Science.gov (United States)

    Szekely, Pablo; Korem, Yael; Moran, Uri; Mayo, Avi; Alon, Uri

    2015-01-01

    When organisms need to perform multiple tasks they face a fundamental tradeoff: no phenotype can be optimal at all tasks. This situation was recently analyzed using Pareto optimality, showing that tradeoffs between tasks lead to phenotypes distributed on low dimensional polygons in trait space. The vertices of these polygons are archetypes—phenotypes optimal at a single task. This theory was applied to examples from animal morphology and gene expression. Here we ask whether Pareto optimality theory can apply to life history traits, which include longevity, fecundity and mass. To comprehensively explore the geometry of life history trait space, we analyze a dataset of life history traits of 2105 endothermic species. We find that, to a first approximation, life history traits fall on a triangle in log-mass log-longevity space. The vertices of the triangle suggest three archetypal strategies, exemplified by bats, shrews and whales, with specialists near the vertices and generalists in the middle of the triangle. To a second approximation, the data lies in a tetrahedron, whose extra vertex above the mass-longevity triangle suggests a fourth strategy related to carnivory. Each animal species can thus be placed in a coordinate system according to its distance from the archetypes, which may be useful for genome-scale comparative studies of mammalian aging and other biological aspects. We further demonstrate that Pareto optimality can explain a range of previous studies which found animal and plant phenotypes which lie in triangles in trait space. This study demonstrates the applicability of multi-objective optimization principles to understand life history traits and to infer archetypal strategies that suggest why some mammalian species live much longer than others of similar mass. PMID:26465336

  16. The Mass-Longevity Triangle: Pareto Optimality and the Geometry of Life-History Trait Space.

    Science.gov (United States)

    Szekely, Pablo; Korem, Yael; Moran, Uri; Mayo, Avi; Alon, Uri

    2015-10-01

    When organisms need to perform multiple tasks they face a fundamental tradeoff: no phenotype can be optimal at all tasks. This situation was recently analyzed using Pareto optimality, showing that tradeoffs between tasks lead to phenotypes distributed on low dimensional polygons in trait space. The vertices of these polygons are archetypes--phenotypes optimal at a single task. This theory was applied to examples from animal morphology and gene expression. Here we ask whether Pareto optimality theory can apply to life history traits, which include longevity, fecundity and mass. To comprehensively explore the geometry of life history trait space, we analyze a dataset of life history traits of 2105 endothermic species. We find that, to a first approximation, life history traits fall on a triangle in log-mass log-longevity space. The vertices of the triangle suggest three archetypal strategies, exemplified by bats, shrews and whales, with specialists near the vertices and generalists in the middle of the triangle. To a second approximation, the data lies in a tetrahedron, whose extra vertex above the mass-longevity triangle suggests a fourth strategy related to carnivory. Each animal species can thus be placed in a coordinate system according to its distance from the archetypes, which may be useful for genome-scale comparative studies of mammalian aging and other biological aspects. We further demonstrate that Pareto optimality can explain a range of previous studies which found animal and plant phenotypes which lie in triangles in trait space. This study demonstrates the applicability of multi-objective optimization principles to understand life history traits and to infer archetypal strategies that suggest why some mammalian species live much longer than others of similar mass.

  17. The Mass-Longevity Triangle: Pareto Optimality and the Geometry of Life-History Trait Space.

    Directory of Open Access Journals (Sweden)

    Pablo Szekely

    2015-10-01

    Full Text Available When organisms need to perform multiple tasks they face a fundamental tradeoff: no phenotype can be optimal at all tasks. This situation was recently analyzed using Pareto optimality, showing that tradeoffs between tasks lead to phenotypes distributed on low dimensional polygons in trait space. The vertices of these polygons are archetypes--phenotypes optimal at a single task. This theory was applied to examples from animal morphology and gene expression. Here we ask whether Pareto optimality theory can apply to life history traits, which include longevity, fecundity and mass. To comprehensively explore the geometry of life history trait space, we analyze a dataset of life history traits of 2105 endothermic species. We find that, to a first approximation, life history traits fall on a triangle in log-mass log-longevity space. The vertices of the triangle suggest three archetypal strategies, exemplified by bats, shrews and whales, with specialists near the vertices and generalists in the middle of the triangle. To a second approximation, the data lies in a tetrahedron, whose extra vertex above the mass-longevity triangle suggests a fourth strategy related to carnivory. Each animal species can thus be placed in a coordinate system according to its distance from the archetypes, which may be useful for genome-scale comparative studies of mammalian aging and other biological aspects. We further demonstrate that Pareto optimality can explain a range of previous studies which found animal and plant phenotypes which lie in triangles in trait space. This study demonstrates the applicability of multi-objective optimization principles to understand life history traits and to infer archetypal strategies that suggest why some mammalian species live much longer than others of similar mass.

  18. Cherenkov imaging method for rapid optimization of clinical treatment geometry in total skin electron beam therapy

    Energy Technology Data Exchange (ETDEWEB)

    Andreozzi, Jacqueline M., E-mail: Jacqueline.M.Andreozzi.th@dartmouth.edu, E-mail: Lesley.A.Jarvis@hitchcock.org; Glaser, Adam K. [Thayer School of Engineering, Dartmouth College, Hanover, New Hampshire 03755 (United States); Zhang, Rongxiao [Department of Physics and Astronomy, Dartmouth College, Hanover, New Hampshire 03755 (United States); Gladstone, David J.; Williams, Benjamin B.; Jarvis, Lesley A., E-mail: Jacqueline.M.Andreozzi.th@dartmouth.edu, E-mail: Lesley.A.Jarvis@hitchcock.org [Norris Cotton Cancer Center, Dartmouth-Hitchcock Medical Center, Lebanon, New Hampshire 03766 (United States); Pogue, Brian W. [Thayer School of Engineering and Department of Physics and Astronomy, Dartmouth College, Hanover, New Hampshire 03755 (United States)

    2016-02-15

    Purpose: A method was developed utilizing Cherenkov imaging for rapid and thorough determination of the two gantry angles that produce the most uniform treatment plane during dual-field total skin electron beam therapy (TSET). Methods: Cherenkov imaging was implemented to gather 2D measurements of relative surface dose from 6 MeV electron beams on a white polyethylene sheet. An intensified charge-coupled device camera time-gated to the Linac was used for Cherenkov emission imaging at sixty-two different gantry angles (1° increments, from 239.5° to 300.5°). Following a modified Stanford TSET technique, which uses two fields per patient position for full body coverage, composite images were created as the sum of two beam images on the sheet; each angle pair was evaluated for minimum variation across the patient region of interest. Cherenkov versus dose correlation was verified with ionization chamber measurements. The process was repeated at source to surface distance (SSD) = 441, 370.5, and 300 cm to determine optimal angle spread for varying room geometries. In addition, three patients receiving TSET using a modified Stanford six-dual field technique with 6 MeV electron beams at SSD = 441 cm were imaged during treatment. Results: As in previous studies, Cherenkov intensity was shown to directly correlate with dose for homogenous flat phantoms (R{sup 2} = 0.93), making Cherenkov imaging an appropriate candidate to assess and optimize TSET setup geometry. This method provided dense 2D images allowing 1891 possible treatment geometries to be comprehensively analyzed from one data set of 62 single images. Gantry angles historically used for TSET at their institution were 255.5° and 284.5° at SSD = 441 cm; however, the angles optimized for maximum homogeneity were found to be 252.5° and 287.5° (+6° increase in angle spread). Ionization chamber measurements confirmed improvement in dose homogeneity across the treatment field from a range of 24.4% at the initial

  19. Simultaneous beam geometry and intensity map optimization in intensity-modulated radiation therapy

    International Nuclear Information System (INIS)

    Lee, Eva K.; Fox, Tim; Crocker, Ian

    2006-01-01

    angles returned appear to be nonintuitive, and depend on PTV size and geometry and the s patial relationship between the tumor and critical structures. Conclusions: The MIP model described allows simultaneous optimization over the space of beamlet fluence weights and beam and couch angles. Based on experiments with tumor data, this approach can return good plans that are clinically acceptable and practical. This work distinguishes itself from recent IMRT research in several ways. First, in previous methods beam angles are selected before intensity map optimization. Herein, we employ 0/1 variables to model the set of candidate beams, and thereby allow the optimization process itself to select optimal beams. Second, instead of incorporating dose-volume criteria within the objective function as in previous work, herein, a combination of discrete and continuous variables associated with each voxel provides a mechanism to strictly enforce dose-volume criteria within the constraints. Third, using the construct of critical-normal-tissue-ring within the objective function can enhance the achievement of conformal plans. Based on the three tumor sites considered, it appears that volume and spatial geometry with respect to the PTV are important factors to consider when selecting objectives to optimize, and in estimating how well suited a particular model is for achieving a specified goal

  20. Optimization of Orifice Geometry for Cross-Flow Mixing in a Cylindrical Duct

    Science.gov (United States)

    Kroll, J. T.; Sowa, W. A.; Samuelsen, G. S.

    1996-01-01

    Mixing of gaseous jets in a cross-flow has significant applications in engineering, one example of which is the dilution zone of a gas turbine combustor. Despite years of study, the design of the jet injection in combustors is largely based on practical experience. The emergence of NO(x) regulations for stationary gas turbines and the anticipation of aero-engine regulations requires an improved understanding of jet mixing as new combustor concepts are introduced. For example, the success of the staged combustor to reduce the emission of NO(x) is almost entirely dependent upon the rapid and complete dilution of the rich zone products within the mixing section. It is these mixing challenges to which the present study is directed. A series of experiments was undertaken to delineate the optimal mixer orifice geometry. A cross-flow to core-flow momentum-flux ratio of 40 and a mass flow ratio of 2.5 were selected as representative of a conventional design. An experimental test matrix was designed around three variables: the number of orifices, the orifice length-to- width ratio, and the orifice angle. A regression analysis was performed on the data to arrive at an interpolating equation that predicted the mixing performance of orifice geometry combinations within the range of the test matrix parameters. Results indicate that the best mixing orifice geometry tested involves eight orifices with a long-to-short side aspect ratio of 3.5 at a twenty-three degree inclination from the center-line of the mixing section.

  1. Optimized numerical annular flow dryout model using the drift-flux model in tube geometry

    International Nuclear Information System (INIS)

    Chun, Ji Han; Lee, Un Chul

    2008-01-01

    Many experimental analyses for annular film dryouts, which is one of the Critical Heat Flux (CHF) mechanisms, have been performed because of their importance. Numerical approaches must also be developed in order to assess the results from experiments and to perform pre-tests before experiments. Various thermal-hydraulic codes, such as RELAP, COBRATF, MARS, etc., have been used in the assessment of the results of dryout experiments and in experimental pre-tests. These thermal-hydraulic codes are general tools intended for the analysis of various phenomena that could appear in nuclear power plants, and many models applying these codes are unnecessarily complex for the focused analysis of dryout phenomena alone. In this study, a numerical model was developed for annular film dryout using the drift-flux model from uniform heated tube geometry. Several candidates of models that strongly affect dryout, such as the entrainment model, deposition model, and the criterion for the dryout point model, were tested as candidates for inclusion in an optimized annular film dryout model. The optimized model was developed by adopting the best combination of these candidate models, as determined through comparison with experimental data. This optimized model showed reasonable results, which were better than those of MARS code

  2. Fuel management optimization in pressure water reactors with hexagonal geometry using hill climbing method

    International Nuclear Information System (INIS)

    Andres Diaz, J.; Quintero, Ruben; Melian, Manuel; Rosete, Alejandro

    2000-01-01

    In this work the general-purpose optimization method, Hill Climbing, was applied to the Fuel Management Optimization problem in PWR reactors, WWER type. They were carried out a series of experiments in order to study the performance of Hill Climbing. It was proven two starting point for initialize the search: a reload configuration by project and a reload configuration generated with the application of a minimal knowledge of the problem. It was also studied the effect of imposing constraints based on the physics of the reactor in order to reduce the number of possible solutions to be generated. The operator used in Hill Climbing was defined as a binary exchange of fuel assemblies. For the simulation of each generated configuration, the tridimensional simulator program SPPS-1 was used. It was formulated an objective function with power peaking constraint to guide the search. As results, a methodology ws proposed for the In-core Fuel Management Optimization in hexagonal geometry, and the feasibility of the application of the Hill Climbing to this type of problem was demonstrated. (author)

  3. Highly accurate potential calculations for cylindrically symmetric geometries using multi-region FDM: A review

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, David, E-mail: dej@kingcon.com [IJL Research Center, Newark, VT 05871 (United States)

    2011-07-21

    This paper is a review of multi-region FDM, a numerical technique for accurately determining electrostatic potentials in cylindrically symmetric geometries. Multi-region FDM can be thought of as the union of various individual elements: a single region FDM process: a method for algorithmic development; a method for auto creating a multi-region structure; the process for the relaxation of multi-region structures. Each element will be briefly described along with its integration into the multi-region relaxation process itself.

  4. Planar Hall effect sensor bridge geometries optimized for magnetic bead detection

    DEFF Research Database (Denmark)

    Østerberg, Frederik Westergaard; Rizzi, Giovanni; Henriksen, Anders Dahl

    2014-01-01

    Novel designs of planar Hall effect bridge sensors optimized for magnetic bead detection are presented and characterized. By constructing the sensor geometries appropriately, the sensors can be tailored to be sensitive to an external magnetic field, the magnetic field due to beads being magnetized...... by the sensor self-field or a combination thereof. The sensors can be made nominally insensitive to small external magnetic fields, while being maximally sensitive to magnetic beads, magnetized by the sensor self-field. Thus, the sensor designs can be tailored towards specific applications with minimal...... of the dynamic magnetic response of suspensions of magnetic beads with a nominal diameter of 80 nm are performed. Furthermore, a method to amplify the signal by appropriate combinations of multiple sensor segments is demonstrated....

  5. Numerical simulation and geometry optimization of hot-gas mixing in lower plenum of high temperature gas-cooled reactor

    International Nuclear Information System (INIS)

    Wang Hang; Wang Jie; Laurien, E.

    2010-01-01

    The lower plenum in high temperature gas-cooled reactor was designed to mix the gas of different temperatures from the reactor core. Previous researches suggest the current geometry of the lower plenum to be improved for better mixing capability and lower pressure drop. In the presented work, a series of varied geometries were investigated with numerical simulation way. The choice of appropriate mesh type and size used in the geometry variation was discussed with the reference of experimental data. The original thin ribs in the current design were merged into thicker ones, and a junction located at the starting end of the outlet pipe was introduced. After comparing several potential optimization methods, an improved geometry was selected with the merged ribs increasing the pre-defined mixing coefficient and the junction reducing the pressure drop. Future work was discussed based on the simulation of real reactor case. The work shows a direction for design improvements of the lower plenum geometry. (authors)

  6. Calculation of the magnetic flux density distribution in type-II superconductors with finite thickness and well-defined geometry

    International Nuclear Information System (INIS)

    Forkl, A.; Kronmueller, H.

    1995-01-01

    The distribution of the critical current density j c (r) in hard type-II superconductors depends strongly on their sample geometry. Rules are given for the construction of j c (r). Samples with homogeneous thickness are divided into cakelike regions with a unique current direction. The spatial magnetic flux density distribution and the magnetic polarization of such a cakelike unit cell with homogeneous current density are calculated analytically. The magnetic polarization and magnetic flux density distribution of a superconductor in the mixed state is then given by an adequate superposition of the unit cell solutions. The theoretical results show good agreement with magneto-optically determined magnetic flux density distributions of a quadratic thin superconducting YBa 2 Cu 3 O 7-x film. The current density distribution is discussed for several sample geometries

  7. CALCULATION OF INITIALS OPTIMAL PRODUCTION CAPACITIES CONSIDERING UNCERTAINTY ELEMENTS

    Directory of Open Access Journals (Sweden)

    Hilda Oquendo Ferrer

    2016-04-01

    Full Text Available In diversification, an attractive variant constitutes the projection of ethanol plants due to all the advantages that this represents and a crucial element for this to be effective is the existence of cane as a fundamental raw material for the sugar industry and therefore the derived productions. To project the initials optimal capacity of the plant, uncertainty in the raw material was considered. Mathematical models of capacity in time are obtained, choosing those that best fit, being the linear the simplest for future calculations. The initial capacity the plant should have is determined, also the time at which the first extension and the capacity of the plant should be done, which allows, considering other criteria, to make decisions about what should be the capacity of an ethanol plant in response to the current and future availability of sugar cane. It is presented a general method that can be used considering other tax sugar companies in a province or a region.

  8. Synthesis, geometry optimization, spectroscopic investigations (UV/Vis, excited states, FT-IR) and application of new azomethine dyes

    Science.gov (United States)

    Shahab, Siyamak; Sheikhi, Masoome; Filippovich, Liudmila; Kumar, Rakesh; Dikusar, Evgenij; Yahyaei, Hooriye; Khaleghian, Mehrnoosh

    2017-11-01

    In the present work, the quantum theoretical calculations of the molecular structures of the four new synthesized azomethine dyes such as: (E)-N-(4-butoxybenzylidene)-4-((E)-phenyldiazenyl)aniline (PAZB-6), (E)-N-(4-(benzyloxy)benzylidene)-4-((E))-phenyldiazenyl)aniline (PAZB-7), 4-((E)-4-((E)-phenyldiazenyl)phenyl)imino)methyl)phenol (PAZB-8), (E)-N-(4-methoxybenzylidene)-4-((E))-phenyldiazenyl)aniline (PAZB-9) have been predicted using Density Functional Theory in the solvent Dimethylformamide. The geometries of the azomethine dyes were optimized by PBE1PBE/6-31+G* level of theory. The electronic spectra of the title compounds in the solvent DMF was carried out by TDPBE1PBE/6-31+G* method. FT-IR spectra of the title compounds are recorded and discussed. Frontier molecular orbitals, molecular electrostatic potential, electronic properties, natural charges and Natural Bond Orbital (NBO) analysis of the mentioned compounds were investigated and discussed by theoretical calculations. The azomethine dyes were synthesized after quantum chemical modeling for optical applications. A new study of anisotropy of thermal and electrical conductivity of the colored stretched PVA-films have been undertaken.

  9. 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)

  10. The optimal version of Hua's fundamental theorem of geometry of rectangular matrices

    CERN Document Server

    Semrl, Peter

    2014-01-01

    Hua's fundamental theorem of geometry of matrices describes the general form of bijective maps on the space of all m\\times n matrices over a division ring \\mathbb{D} which preserve adjacency in both directions. Motivated by several applications the author studies a long standing open problem of possible improvements. There are three natural questions. Can we replace the assumption of preserving adjacency in both directions by the weaker assumption of preserving adjacency in one direction only and still get the same conclusion? Can we relax the bijectivity assumption? Can we obtain an analogous result for maps acting between the spaces of rectangular matrices of different sizes? A division ring is said to be EAS if it is not isomorphic to any proper subring. For matrices over EAS division rings the author solves all three problems simultaneously, thus obtaining the optimal version of Hua's theorem. In the case of general division rings he gets such an optimal result only for square matrices and gives examples ...

  11. Calculation of electromagnetic fields and forces in coil systems of arbitrary geometry

    International Nuclear Information System (INIS)

    Sackett, S.J.

    1975-01-01

    A computer program, EFFI, is described which calculates the electric and magnetic fields due to an arbitrary spatial distribution of current-carrying circular loops, circular arcs, and straight lines. The electric field is assumed to arise solely from the time variation of the magnetic field, and the magnetic field due to the changing electric field is assumed to be negligible. In addition, the conductor bundle elements (loops, arcs, lines) are assumed to be absent. Electric and magnetic flux lines and magnetic forces and inductances are also calculated by the program. The algorithm used in the code, which is based on a combination of direct and numerical integration using the Biot-Savart law, is discussed. The methods used to maintain accuracy in calculating fields within the conductor bundle, in particular, are detailed. Several examples are then presented to illustrate the input and output features as well as the accuracy obtained and the running time required

  12. FEMB, 2-D Homogeneous Neutron Diffusion in X-Y Geometry with Keff Calculation, Dyadic Fission Matrix

    International Nuclear Information System (INIS)

    Misfeldt, I.B.

    1987-01-01

    1 - Nature of physical problem solved: The two-dimensional neutron diffusion equation (xy geometry) is solved in the homogeneous form (K eff calculation). The boundary conditions specify each group current as a linear homogeneous function of the group fluxes (gamma matrix concept). For each material, the fission matrix is assumed to be dyadic. 2 - Method of solution: Finite element formulation with Lagrange type elements. Solution technique: SOR with extrapolation. 3 - Restrictions on the complexity of the problem: Maximum order of the Lagrange elements is 6

  13. Diffusion Coefficient Calculations With Low Order Legendre Polynomial and Chebyshev Polynomial Approximation for the Transport Equation in Spherical Geometry

    International Nuclear Information System (INIS)

    Yasa, F.; Anli, F.; Guengoer, S.

    2007-01-01

    We present analytical calculations of spherically symmetric radioactive transfer and neutron transport using a hypothesis of P1 and T1 low order polynomial approximation for diffusion coefficient D. Transport equation in spherical geometry is considered as the pseudo slab equation. The validity of polynomial expansionion in transport theory is investigated through a comparison with classic diffusion theory. It is found that for causes when the fluctuation of the scattering cross section dominates, the quantitative difference between the polynomial approximation and diffusion results was physically acceptable in general

  14. Multiband method for resonance self-shielding calculation of fuel assembly in arbitrary geometries

    International Nuclear Information System (INIS)

    Huang Weibin; Wu Hongchun; Cao Liangzhi; Yang Weiyan

    2009-01-01

    A formula to calculate the multiband parameters is derived based on the multiband method. Adopting the method combining two-band and three-band, and based on the WIMSD4-69 library, a code named RESCAL is developed. The validation shows that the results of RESCAL code are well in accordance with MCNP's, and the numerical errors meet the practical requirement. Due to the limitation of WIMSD4 69-group library and the method adopted to calculate multiband parameters, the precision of RESCAL code is highly affected by the ratio of water to uranium. (authors)

  15. Finite elements for the calculation of turbulent flows in three-dimensional complex geometries

    Science.gov (United States)

    Ruprecht, A.

    A finite element program for the calculation of incompressible turbulent flows is presented. In order to reduce the required storage an iterative algorithm is used which solves the necessary equations sequentially. The state of turbulence is defined by the k-epsilon model. In addition to the standard k-epsilon model, the modification of Bardina et al., taking into account the rotation of the mean flow, is investigated. With this program, the flow in the draft tube of a Kaplan turbine is examined. Calculations are carried out for swirling and nonswirling entrance flow. The results are compared with measurements.

  16. QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

    Science.gov (United States)

    Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

    2017-05-05

    Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

  17. A transmission probability method for calculation of neutron flux distributions in hexagonal geometry

    International Nuclear Information System (INIS)

    Wasastjerna, F.; Lux, I.

    1980-03-01

    A transmission probability method implemented in the program TPHEX is described. This program was developed for the calculation of neutron flux distributions in hexagonal light water reactor fuel assemblies. The accuracy appears to be superior to diffusion theory, and the computation time is shorter than that of the collision probability method. (author)

  18. VARIANT: VARIational anisotropic nodal transport for multidimensional Cartesian and hexadgonal geometry calculation

    International Nuclear Information System (INIS)

    Palmiotti, G.; Carrico, C.B.; Lewis, E.E.

    1995-10-01

    The theoretical basis, implementation information and numerical results are presented for VARIANT (VARIational Anisotropic Neutron Transport), a FORTRAN module of the DIF3D code system at Argonne National Laboratory. VARIANT employs the variational nodal method to solve multigroup steady-state neutron diffusion and transport problems. The variational nodal method is a hybrid finite element method that guarantees nodal balance and permits spatial refinement through the use of hierarchical complete polynomial trial functions. Angular variables are expanded with complete or simplified P 1 , P 3 or P 5 5 spherical harmonics approximations with full anisotropic scattering capability. Nodal response matrices are obtained, and the within-group equations are solved by red-black or four-color iteration, accelerated by a partitioned matrix algorithm. Fission source and upscatter iterations strategies follow those of DIF3D. Two- and three-dimensional Cartesian and hexagonal geometries are implemented. Forward and adjoint eigenvalue, fixed source, gamma heating, and criticality (concentration) search problems may be performed

  19. Shielding NSLS-II light source: Importance of geometry for calculating radiation levels from beam losses

    Science.gov (United States)

    Kramer, S. L.; Ghosh, V. J.; Breitfeller, M.; Wahl, W.

    2016-11-01

    Third generation high brightness light sources are designed to have low emittance and high current beams, which contribute to higher beam loss rates that will be compensated by Top-Off injection. Shielding for these higher loss rates will be critical to protect the projected higher occupancy factors for the users. Top-Off injection requires a full energy injector, which will demand greater consideration of the potential abnormal beam miss-steering and localized losses that could occur. The high energy electron injection beam produces significantly higher neutron component dose to the experimental floor than a lower energy beam injection and ramped operations. Minimizing this dose will require adequate knowledge of where the miss-steered beam can occur and sufficient EM shielding close to the loss point, in order to attenuate the energy of the particles in the EM shower below the neutron production threshold (weaknesses in the design before a high radiation incident occurs. The effort required to adequately define the accelerator geometry for these codes has been greatly reduced with the implementation of the graphical interface of FLAIR to FLUKA. This made the effective shielding process for NSLS-II quite accurate and reliable. The principles used to provide supplemental shielding to the NSLS-II accelerators and the lessons learned from this process are presented.

  20. Local transport method for hybrid diffusion-transport calculations in 2-D cylindrical (R, THETA) geometry

    International Nuclear Information System (INIS)

    Zhang, Dingkang; Rahnema, Farzad; Ougouag, Abderrfi M.

    2011-01-01

    A response-based local transport method has been developed in 2-D (r, θ) geometry for coupling to any coarse-mesh (nodal) diffusion method/code. Monte Carlo method is first used to generate a (pre-computed) the response function library for each unique coarse mesh in the transport domain (e.g., the outer reflector region of the Pebble Bed Reactor). The scalar flux and net current at the diffusion/transport interface provided by the diffusion method are used as an incoming surface source to the transport domain. A deterministic iterative sweeping method together with the response function library is utilized to compute the local transport solution within all transport coarse meshes. After the partial angular currents crossing the coarse mesh surfaces are converged, albedo coefficients are computed as boundary conditions for the diffusion methods. The iteration on the albedo boundary condition (for the diffusion method via transport) and the incoming angular flux boundary condition (for the transport via diffusion) is continued until convergence is achieved. The method was tested for in a simplified 2-D (r, θ) pebble bed reactor problem consisting of an inner reflector, an annular fuel region and a controlled outer reflector. The comparisons have shown that the results of the response-function-based transport method agree very well with a direct MCNP whole core solution. The agreement in coarse mesh averaged flux was found to be excellent: relative difference of about 0.18% and a maximum difference of about 0.55%. Note that the MCNP uncertainty was less than 0.1%. (author)

  1. THEBES: a thermal hydraulic code for the calculation of transient two phase flow in bundle geometry

    International Nuclear Information System (INIS)

    Camous, F.

    1983-01-01

    The three dimensional thermal hydraulic code THEBES, capable to calculate transient boiling of sodium in rod bundles is described here. THEBES, derived from the transient single phase code SABRE-2A, was developed in CADARACHE by the SIES to analyse the SCARABEE N loss of flow experiments. This paper also presents the results of tests which were performed against various types of experiments: (1) transient boiling in a 7 pin bundle simulating a partial blockage at the bottom of a subassembly (rapid transient SCARABEE 7.2 experiment), (2) transient boiling in a 7 pin bundle simulating a coolant coast down (slow transient SCARABEE 7.3 experiment), (3) steady local and generalised boiling in a 19 pin bundle (GR 19 I experiment), (4) transient boiling in a 19 pin bundle simulating a coolant coast down (GR 19 I experiment), (5) steady local boiling in a 37 pin bundle with internal blockage (MOL 7C experiment). Excellent agreement was found between calculated and experimental results for these different situations. Our conclusion is that THEBES is able to calculate transient boiling of sodium in rod bundles in a quite satisfying way

  2. SACALCCYL, Calculates the average solid angle subtended by a volume; SACALC2B, Calculates the average solid angle for source-detector geometries

    International Nuclear Information System (INIS)

    Whitcher, Ralph

    2007-01-01

    1 - Description of program or function: SACALC2B calculates the average solid angle subtended by a rectangular or circular detector window to a coaxial or non-coaxial rectangular, circular or point source, including where the source and detector planes are not parallel. SACALC C YL calculates the average solid angle subtended by a cylinder to a rectangular or circular source, plane or thick, at any location and orientation. This is needed, for example, in calculating the intrinsic gamma efficiency of a detector such as a GM tube. The program also calculates the number of hits on the cylinder side and on each end, and the average path length through the detector volume (assuming no scattering or absorption). Point sources can be modelled by using a circular source of zero radius. NEA-1688/03: Documentation has been updated (January 2006). 2 - Methods: The program uses a Monte Carlo method to calculate average solid angle for source-detector geometries that are difficult to analyse by analytical methods. The values of solid angle are calculated to accuracies of typically better than 0.1%. The calculated values from the Monte Carlo method agree closely with those produced by polygon approximation and numerical integration by Gardner and Verghese, and others. 3 - Restrictions on the complexity of the problem: The program models a circular or rectangular detector in planes that are not necessarily coaxial, nor parallel. Point sources can be modelled by using a circular source of zero radius. The sources are assumed to be uniformly distributed. NEA-1688/04: In SACALC C YL, to avoid rounding errors, differences less than 1 E-12 are assumed to be zero

  3. ALGOL geometrical module for reactor and reactor cell calculations in the R-Z geometry with the Monte Carlo method

    International Nuclear Information System (INIS)

    Usikov, D.A.

    1975-01-01

    A description of a geometrical module used in a program of the ARMONT complex of the Monte Carlo calculations is given. The geometrical module is designed to simulate the particle trajectory in the R-Z geometry. The geometrical module follows the particle trajectory from the start point to the next collision or flight-out points. The flight direction at the scattering point is assumed isotropic in the laboratory coordinate system. In the module the angle between the flight direction before and after collision is not determined. The principles for the module construction are presented alongside with the text-module in the ALGOL language. The module is optimumized as to the counting rate and it is rather compact not to cause difficulties due to the translator limitations in common translation with other program blocks based on the use of the Monte Carlo calculations

  4. Compound and Geometry-Dependent Pre-Compound Models to Calculate the Nuclear Data for Fusion Reactors

    International Nuclear Information System (INIS)

    Jahn, Helmut

    2005-01-01

    Compound and geometry-dependent pre-compound nuclear reactions are very useful concepts of nuclear theory to calculate cross sections of neutrons of around 14 MeV and below scattered by nuclei of material of installations producing energy of nuclear fusion. If these concepts are used to discuss and improve the experimental data they have to be completed by DWBA-type contributions to the small-step region of the incident neutron which can account for the angular distribution of the scattered neutron because there is the difficulty to separate experimentally the incoming from the scattered beam. The angle integrated cross-section in this region can be shown to be accounted for the surface dependent components of Blanns geometry-dependent precompound mechanism of the statistical state density and level density contributions of the compound and precompound components beeing calculated according to the recent developments of Anzaldo using the analytic number theory. The experimental data have been taken from the results of Hermsdorf, Meister, Sassonov, Seeliger, Seidel, Shahin and of A.Takahashi

  5. 'PRIZE': A program for calculating collision probabilities in R-Z geometry

    International Nuclear Information System (INIS)

    Pitcher, H.H.W.

    1964-10-01

    PRIZE is an IBM7090 program which computes collision probabilities for systems with axial symmetry and outputs them on cards in suitable format for the PIP1 program. Its method of working, data requirements, output, running time and accuracy are described. The program has been used to compute non-escape (self-collision) probabilities of finite circular cylinders, and a table is given by which non-escape probabilities of slabs, finite and infinite circular cylinders, infinite square cylinders, cubes, spheres and hemispheres may quickly be calculated to 1/2% or better. (author)

  6. 'PRIZE': A program for calculating collision probabilities in R-Z geometry

    Energy Technology Data Exchange (ETDEWEB)

    Pitcher, H.H.W. [General Reactor Physics Division, Atomic Energy Establishment, Winfrith, Dorchester, Dorset (United Kingdom)

    1964-10-15

    PRIZE is an IBM7090 program which computes collision probabilities for systems with axial symmetry and outputs them on cards in suitable format for the PIP1 program. Its method of working, data requirements, output, running time and accuracy are described. The program has been used to compute non-escape (self-collision) probabilities of finite circular cylinders, and a table is given by which non-escape probabilities of slabs, finite and infinite circular cylinders, infinite square cylinders, cubes, spheres and hemispheres may quickly be calculated to 1/2% or better. (author)

  7. Calculation of arterial wall temperature in atherosclerotic arteries: effect of pulsatile flow, arterial geometry, and plaque structure

    Directory of Open Access Journals (Sweden)

    Kim Taehong

    2007-03-01

    Full Text Available Abstract Background This paper presents calculations of the temperature distribution in an atherosclerotic plaque experiencing an inflammatory process; it analyzes the presence of hot spots in the plaque region and their relationship to blood flow, arterial geometry, and inflammatory cell distribution. Determination of the plaque temperature has become an important topic because plaques showing a temperature inhomogeneity have a higher likelihood of rupture. As a result, monitoring plaque temperature and knowing the factors affecting it can help in the prevention of sudden rupture. Methods The transient temperature profile in inflamed atherosclerotic plaques is calculated by solving an energy equation and the Navier-Stokes equations in 2D idealized arterial models of a bending artery and an arterial bifurcation. For obtaining the numerical solution, the commercial package COMSOL 3.2 was used. The calculations correspond to a parametric study where arterial type and size, as well as plaque geometry and composition, are varied. These calculations are used to analyze the contribution of different factors affecting arterial wall temperature measurements. The main factors considered are the metabolic heat production of inflammatory cells, atherosclerotic plaque length lp, inflammatory cell layer length lmp, and inflammatory cell layer thickness dmp. Results The calculations indicate that the best location to perform the temperature measurement is at the back region of the plaque (0.5 ≤ l/lp ≤ 0.7. The location of the maximum temperature, or hot spot, at the plaque surface can move during the cardiac cycle depending on the arterial geometry and is a direct result of the blood flow pattern. For the bending artery, the hot spot moves 0.6 millimeters along the longitudinal direction; for the arterial bifurcation, the hot spot is concentrated at a single location due to the flow recirculation observed at both ends of the plaque. Focusing on the

  8. Rapid calculation of maximum particle lifetime for diffusion in complex geometries

    Science.gov (United States)

    Carr, Elliot J.; Simpson, Matthew J.

    2018-03-01

    Diffusion of molecules within biological cells and tissues is strongly influenced by crowding. A key quantity to characterize diffusion is the particle lifetime, which is the time taken for a diffusing particle to exit by hitting an absorbing boundary. Calculating the particle lifetime provides valuable information, for example, by allowing us to compare the timescale of diffusion and the timescale of the reaction, thereby helping us to develop appropriate mathematical models. Previous methods to quantify particle lifetimes focus on the mean particle lifetime. Here, we take a different approach and present a simple method for calculating the maximum particle lifetime. This is the time after which only a small specified proportion of particles in an ensemble remain in the system. Our approach produces accurate estimates of the maximum particle lifetime, whereas the mean particle lifetime always underestimates this value compared with data from stochastic simulations. Furthermore, we find that differences between the mean and maximum particle lifetimes become increasingly important when considering diffusion hindered by obstacles.

  9. Optimal Ge/SiGe nanofin geometries for hole mobility enhancement: Technology limit from atomic simulations

    Science.gov (United States)

    Vedula, Ravi Pramod; Mehrotra, Saumitra; Kubis, Tillmann; Povolotskyi, Michael; Klimeck, Gerhard; Strachan, Alejandro

    2015-05-01

    We use first principles simulations to engineer Ge nanofins for maximum hole mobility by controlling strain tri-axially through nano-patterning. Large-scale molecular dynamics predict fully relaxed, atomic structures for experimentally achievable nanofins, and orthogonal tight binding is used to obtain the corresponding electronic structure. Hole transport properties are then obtained via a linearized Boltzmann formalism. This approach explicitly accounts for free surfaces and associated strain relaxation as well as strain gradients which are critical for quantitative predictions in nanoscale structures. We show that the transverse strain relaxation resulting from the reduction in the aspect ratio of the fins leads to a significant enhancement in phonon limited hole mobility (7× over unstrained, bulk Ge, and 3.5× over biaxially strained Ge). Maximum enhancement is achieved by reducing the width to be approximately 1.5 times the height and further reduction in width does not result in additional gains. These results indicate significant room for improvement over current-generation Ge nanofins, provide geometrical guidelines to design optimized geometries and insight into the physics behind the significant mobility enhancement.

  10. Optimal Ge/SiGe nanofin geometries for hole mobility enhancement: Technology limit from atomic simulations

    International Nuclear Information System (INIS)

    Vedula, Ravi Pramod; Mehrotra, Saumitra; Kubis, Tillmann; Povolotskyi, Michael; Klimeck, Gerhard; Strachan, Alejandro

    2015-01-01

    We use first principles simulations to engineer Ge nanofins for maximum hole mobility by controlling strain tri-axially through nano-patterning. Large-scale molecular dynamics predict fully relaxed, atomic structures for experimentally achievable nanofins, and orthogonal tight binding is used to obtain the corresponding electronic structure. Hole transport properties are then obtained via a linearized Boltzmann formalism. This approach explicitly accounts for free surfaces and associated strain relaxation as well as strain gradients which are critical for quantitative predictions in nanoscale structures. We show that the transverse strain relaxation resulting from the reduction in the aspect ratio of the fins leads to a significant enhancement in phonon limited hole mobility (7× over unstrained, bulk Ge, and 3.5× over biaxially strained Ge). Maximum enhancement is achieved by reducing the width to be approximately 1.5 times the height and further reduction in width does not result in additional gains. These results indicate significant room for improvement over current-generation Ge nanofins, provide geometrical guidelines to design optimized geometries and insight into the physics behind the significant mobility enhancement

  11. Optimal Ge/SiGe nanofin geometries for hole mobility enhancement: Technology limit from atomic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Vedula, Ravi Pramod; Mehrotra, Saumitra; Kubis, Tillmann; Povolotskyi, Michael; Klimeck, Gerhard [School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Strachan, Alejandro, E-mail: strachan@purdue.edu [School of Materials Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States)

    2015-05-07

    We use first principles simulations to engineer Ge nanofins for maximum hole mobility by controlling strain tri-axially through nano-patterning. Large-scale molecular dynamics predict fully relaxed, atomic structures for experimentally achievable nanofins, and orthogonal tight binding is used to obtain the corresponding electronic structure. Hole transport properties are then obtained via a linearized Boltzmann formalism. This approach explicitly accounts for free surfaces and associated strain relaxation as well as strain gradients which are critical for quantitative predictions in nanoscale structures. We show that the transverse strain relaxation resulting from the reduction in the aspect ratio of the fins leads to a significant enhancement in phonon limited hole mobility (7× over unstrained, bulk Ge, and 3.5× over biaxially strained Ge). Maximum enhancement is achieved by reducing the width to be approximately 1.5 times the height and further reduction in width does not result in additional gains. These results indicate significant room for improvement over current-generation Ge nanofins, provide geometrical guidelines to design optimized geometries and insight into the physics behind the significant mobility enhancement.

  12. The influence of branch order on optimal leaf vein geometries: Murray's law and area preserving branching.

    Directory of Open Access Journals (Sweden)

    Charles A Price

    Full Text Available Models that predict the form of hierarchical branching networks typically invoke optimization based on biomechanical similitude, the minimization of impedance to fluid flow, or construction costs. Unfortunately, due to the small size and high number of vein segments found in real biological networks, complete descriptions of networks needed to evaluate such models are rare. To help address this we report results from the analysis of the branching geometry of 349 leaf vein networks comprising over 1.5 million individual vein segments. In addition to measuring the diameters of individual veins before and after vein bifurcations, we also assign vein orders using the Horton-Strahler ordering algorithm adopted from the study of river networks. Our results demonstrate that across all leaves, both radius tapering and the ratio of daughter to parent branch areas for leaf veins are in strong agreement with the expectation from Murray's law. However, as veins become larger, area ratios shift systematically toward values expected under area-preserving branching. Our work supports the idea that leaf vein networks differentiate roles of leaf support and hydraulic supply between hierarchical orders.

  13. A Theoretical and Empirical Integrated Method to Select the Optimal Combined Signals for Geometry-Free and Geometry-Based Three-Carrier Ambiguity Resolution.

    Science.gov (United States)

    Zhao, Dongsheng; Roberts, Gethin Wyn; Lau, Lawrence; Hancock, Craig M; Bai, Ruibin

    2016-11-16

    Twelve GPS Block IIF satellites, out of the current constellation, can transmit on three-frequency signals (L1, L2, L5). Taking advantages of these signals, Three-Carrier Ambiguity Resolution (TCAR) is expected to bring much benefit for ambiguity resolution. One of the research areas is to find the optimal combined signals for a better ambiguity resolution in geometry-free (GF) and geometry-based (GB) mode. However, the existing researches select the signals through either pure theoretical analysis or testing with simulated data, which might be biased as the real observation condition could be different from theoretical prediction or simulation. In this paper, we propose a theoretical and empirical integrated method, which first selects the possible optimal combined signals in theory and then refines these signals with real triple-frequency GPS data, observed at eleven baselines of different lengths. An interpolation technique is also adopted in order to show changes of the AR performance with the increase in baseline length. The results show that the AR success rate can be improved by 3% in GF mode and 8% in GB mode at certain intervals of the baseline length. Therefore, the TCAR can perform better by adopting the combined signals proposed in this paper when the baseline meets the length condition.

  14. The calculation of methane profiles in AGR graphite structures. Part I: cylindrical geometry

    International Nuclear Information System (INIS)

    Faircloth, R.L.

    1980-08-01

    A mathematical model has been developed to simulate the diffusion, permeable flow and radiolytic destruction of methane in graphite specimens utilised in the Advanced Gas Cooled Reactor development programme. The integration of the diffusion equations governing the rate of mass transport is carried out by the Harwell FACSIMILE program and in its simple form the model has shown good agreement with analytical solutions. The model has been extended to take into account the changes in water and carbon monoxide concentrations resulting from radiolytic reactions within the system and the magnitude of these effects has been assessed. A simple method for the introduction of the effect of water production arising directly from the methane destruction process has been derived and a technique for calculating the gas-in-gas diffusion coefficients for the migrating species from the molecular theory of gases is outlined. (author)

  15. Stiffeners in variational-difference method for calculating shells with complex geometry

    Directory of Open Access Journals (Sweden)

    Ivanov Vyacheslav Nikolaevich

    2014-05-01

    Full Text Available We have already considered an introduction of reinforcements in the variational-difference method (VDM of shells analysis with complex shape. At the moment only ribbed shells of revolution and shallow shells can be calculated with the help of developed analytical and finite-difference methods. Ribbed shells of arbitrary shape can be calculated only using the finite element method (FEM. However there are problems, when using FEM, which are absent in finite- and variational-difference methods: rigid body motion; conforming trial functions; parameterization of a surface; independent stress strain state. In this regard stiffeners are entered in VDM. VDM is based on the Lagrange principle - the principle of minimum total potential energy. Stress-strain state of ribs is described by the Kirchhoff-Clebsch theory of curvilinear bars: tension, bending and torsion of ribs are taken into account. Stress-strain state of shells is described by the Kirchhoff-Love theory of thin elastic shells. A position of points of the middle surface is defined by curvilinear orthogonal coordinates α, β. Curved ribs are situated along coordinate lines. Strain energy of ribs is added into the strain energy to account for ribs. A matrix form of strain energy of ribs is formed similar to a matrix form of the strain energy of the shell. A matrix of geometrical characteristics of a rib is formed from components of matrices of geometric characteristics of a shell. A matrix of mechanical characteristics of a rib contains rib’s eccentricity and geometrical characteristics of a rib’s section. Derivatives of displacements in the strain vector are replaced with finite-difference relations after the middle surface of a shell gets covered with a grid (grid lines coincide with the coordinate lines of principal curvatures. By this case the total potential energy functional becomes a function of strain nodal displacements. Partial derivatives of unknown nodal displacements are

  16. Computer-optimized γ-NDA geometries for uranium enrichment verification of gaseous UF6

    International Nuclear Information System (INIS)

    Wichers, V.A.; Aaldijk, J.K.; Betue, P.A.C. de; Harry, R.J.S.

    1993-05-01

    An improved collimator pair of novel design tailored for deposit independent enrichment verification of gaseous UF 6 at low pressures in cascade-to-header pipes of small diameters in centrifuge enrichment plants is presented. The designs are adapted for use in a dual-geometry arrangement for simultaneous measurements with both detection geometries. The average measurement time with the dual-geometry arrangement is approximately half an hour for deposit-to-gas activity ratios as high as 20. (orig.)

  17. On the adequacy of Cartesian geometry discrete ordinates solutions for assembly calculations

    International Nuclear Information System (INIS)

    Schunert, S.; Azmy, Y. Y.

    2009-01-01

    The current generation of lattice codes employs the method of Collision Probabilities (CP), the Method of Characteristics (MOC) or methods derived thereof to solve the two-dimensional multigroup transport equation on the assembly level. We compare the attainable solution accuracy of the lattice code DRAGON to the accuracy of the Discrete Ordinates (DO) code DORT on the basis of the two-dimensional GE-13 assembly in order to determine if the DO on Cartesian meshes is suitable as flux solver in future lattice codes. If DO exhibits high accuracy for assembly configurations, the next question is at what computational expense compared to traditional assembly codes. For this purpose DORT and DRAGON are required to converge to a reference solution, obtained by a multigroup MCNP calculation, with increasing angular quadrature order and decreasing spatial cell size; additionally for DRAGON the reference solution must be approached with increasing tracking density. The convergence of the two codes is judged via the multiplication factor, the pin wise relative error in the fission production rate, it's RMS and the maximum of it's absolute value over all pins. Additionally the computational cost of the obtained solutions is judged via the user CPU time. Although the multiplication factor computed by both codes converges with refinement of the employed meshes, the maximum deviation error of the fission production rate in the central region of the assembly remains unsatisfactorily high for CP and MOC. (authors)

  18. An algorithm for the calculation of three-dimensional ICRF fields in tokamak geometry

    International Nuclear Information System (INIS)

    Smithe, D.N.; Kammash, T.

    1987-01-01

    A computational scheme is developed which permits tractable calculation of three-dimensional full-wave solutions to the Vlasov-Maxwell equations under typical ion cyclotron range of frequencies (ICRF) experimental conditions. The method is unique in that power deposition to the plasma is determined via the anti-Hermitian part of a truncated warm plasma dielectric operator, rather than as the result of an assumed phenomenological collision frequency. The resulting computer code allows arbitrary variation of density, temperature, magnetic field and minority concentration in the poloidal plane by performing a convolution of poloidal modes to produce a coupled system of differential equations in the radial variable. By assuming no inhomogeneity along the toroidal axis, an inverse transform over k parallel is performed, yielding the global three-dimensional fast wave field solutions. The application of the code to TFTR-like plasmas shows a mild resonance structure in antenna loading related to the changing number of wavelengths between the antenna and the resonance layer. (author)

  19. Muscle optimization techniques impact the magnitude of calculated hip joint contact forces

    NARCIS (Netherlands)

    Wesseling, M.; Derikx, L.C.; de Groote, F.; Bartels, W.; Meyer, C.; Verdonschot, Nicolaas Jacobus Joseph; Jonkers, I.

    2015-01-01

    In musculoskeletal modelling, several optimization techniques are used to calculate muscle forces, which strongly influence resultant hip contact forces (HCF). The goal of this study was to calculate muscle forces using four different optimization techniques, i.e., two different static optimization

  20. Optimal Location of Vanadium in Muscovite and Its Geometrical and Electronic Properties by DFT Calculation

    Directory of Open Access Journals (Sweden)

    Qiushi Zheng

    2017-02-01

    Full Text Available Vanadium-bearing muscovite is the most valuable component of stone coal, which is a unique source of vanadium manufacture in China. Numbers of experimental studies have been carried out to destroy the carrier muscovite’s structure for efficient extraction of vanadium. Hence, the vanadium location is necessary for exploring the essence of vanadium extraction. Although most infer that vanadium may substitute for trivalent aluminium (Al as the isomorphism in muscovite for the similar atomic radius, there is not enough experimental evidence and theoretical supports to accurately locate the vanadium site in muscovite. In this study, the muscovite model and optimal location of vanadium were calculated by density functional theory (DFT. We find that the vanadium prefers to substitute for the hexa-coordinated aluminum of muscovite for less deformation and lower substitution energy. Furthermore, the local geometry and relative electronic properties were calculated in detail. The basal theoretical research of muscovite contained with vanadium are reported for the first time. It will make a further influence on the technology development of vanadium extraction from stone coal.

  1. Two-group k-eigenvalue benchmark calculations for planar geometry transport in a binary stochastic medium

    International Nuclear Information System (INIS)

    Davis, I.M.; Palmer, T.S.

    2005-01-01

    Benchmark calculations are performed for neutron transport in a two material (binary) stochastic multiplying medium. Spatial, angular, and energy dependence are included. The problem considered is based on a fuel assembly of a common pressurized water reactor. The mean chord length through the assembly is determined and used as the planar geometry system length. According to assumed or calculated material distributions, this system length is populated with alternating fuel and moderator segments of random size. Neutron flux distributions are numerically computed using a discretized form of the Boltzmann transport equation employing diffusion synthetic acceleration. Average quantities (group fluxes and k-eigenvalue) and variances are calculated from an ensemble of realizations of the mixing statistics. The effects of varying two parameters in the fuel, two different boundary conditions, and three different sets of mixing statistics are assessed. A probability distribution function (PDF) of the k-eigenvalue is generated and compared with previous research. Atomic mix solutions are compared with these benchmark ensemble average flux and k-eigenvalue solutions. Mixing statistics with large standard deviations give the most widely varying ensemble solutions of the flux and k-eigenvalue. The shape of the k-eigenvalue PDF qualitatively agrees with previous work. Its overall shape is independent of variations in fuel cross-sections for the problems considered, but its width is impacted by these variations. Statistical distributions with smaller standard deviations alter the shape of this PDF toward a normal distribution. The atomic mix approximation yields large over-predictions of the ensemble average k-eigenvalue and under-predictions of the flux. Qualitatively correct flux shapes are obtained in some cases. These benchmark calculations indicate that a model which includes higher statistical moments of the mixing statistics is needed for accurate predictions of binary

  2. Performance of a fine-grained parallel model for multi-group nodal-transport calculations in three-dimensional pin-by-pin reactor geometry

    International Nuclear Information System (INIS)

    Masahiro, Tatsumi; Akio, Yamamoto

    2003-01-01

    A production code SCOPE2 was developed based on the fine-grained parallel algorithm by the red/black iterative method targeting parallel computing environments such as a PC-cluster. It can perform a depletion calculation in a few hours using a PC-cluster with the model based on a 9-group nodal-SP3 transport method in 3-dimensional pin-by-pin geometry for in-core fuel management of commercial PWRs. The present algorithm guarantees the identical convergence process as that in serial execution, which is very important from the viewpoint of quality management. The fine-mesh geometry is constructed by hierarchical decomposition with introduction of intermediate management layer as a block that is a quarter piece of a fuel assembly in radial direction. A combination of a mesh division scheme forcing even meshes on each edge and a latency-hidden communication algorithm provided simplicity and efficiency to message passing to enhance parallel performance. Inter-processor communication and parallel I/O access were realized using the MPI functions. Parallel performance was measured for depletion calculations by the 9-group nodal-SP3 transport method in 3-dimensional pin-by-pin geometry with 340 x 340 x 26 meshes for full core geometry and 170 x 170 x 26 for quarter core geometry. A PC cluster that consists of 24 Pentium-4 processors connected by the Fast Ethernet was used for the performance measurement. Calculations in full core geometry gave better speedups compared to those in quarter core geometry because of larger granularity. Fine-mesh sweep and feedback calculation parts gave almost perfect scalability since granularity is large enough, while 1-group coarse-mesh diffusion acceleration gave only around 80%. The speedup and parallel efficiency for total computation time were 22.6 and 94%, respectively, for the calculation in full core geometry with 24 processors. (authors)

  3. Optimal Height Calculation and Modelling of Noise Barrier

    Directory of Open Access Journals (Sweden)

    Raimondas Grubliauskas

    2011-04-01

    Full Text Available Transport is one of the main sources of noise having a particularly strong negative impact on the environment. In the city, one of the best methods to reduce the spread of noise in residential areas is a noise barrier. The article presents noise reduction barrier adaptation with empirical formulas calculating and modelling noise distribution. The simulation of noise dispersion has been performed applying the CadnaA program that allows modelling the noise levels of various developments under changing conditions. Calculation and simulation is obtained by assessing the level of noise reduction using the same variables. The investigation results are presented as noise distribution isolines. The selection of a different height of noise barriers are the results calculated at the heights of 1, 4 and 15 meters. The level of noise reduction at the maximum overlap of data, calculation and simulation has reached about 10%.Article in Lithuanian

  4. Calculated critical parameters in simple geometries for oxide and nitrate water mixtures of U-233, U-235 and Pu-239 with thorium. Final report

    International Nuclear Information System (INIS)

    Converse, W.E.; Bierman, S.R.

    1979-11-01

    Calculations have been performed on water mixtures of oxides and nitrates of 233 U, 235 U, and 239 Pu with chemically similar thorium compounds to determine critical dimensions for simple geometries (sphere, cylinder, and slab). Uranium enrichments calculated were 100%, 20%, 10%, and 5%; plutonium calculations assumed 100% 239 Pu. Thorium to uranium or plutonium weight ratios (Th: U or Pu) calculated were 0, 1, 4, and 8. Both bare and full water reflection conditions were calculated. The results of the calculations are plotted showing a critical dimension versus the uranium or plutonium concentration. Plots of K-infinity and material buckling for each material type are also shown

  5. A Method for Correcting IMRT Optimizer Heterogeneity Dose Calculations

    International Nuclear Information System (INIS)

    Zacarias, Albert S.; Brown, Mellonie F.; Mills, Michael D.

    2010-01-01

    Radiation therapy treatment planning for volumes close to the patient's surface, in lung tissue and in the head and neck region, can be challenging for the planning system optimizer because of the complexity of the treatment and protected volumes, as well as striking heterogeneity corrections. Because it is often the goal of the planner to produce an isodose plan with uniform dose throughout the planning target volume (PTV), there is a need for improved planning optimization procedures for PTVs located in these anatomical regions. To illustrate such an improved procedure, we present a treatment planning case of a patient with a lung lesion located in the posterior right lung. The intensity-modulated radiation therapy (IMRT) plan generated using standard optimization procedures produced substantial dose nonuniformity across the tumor caused by the effect of lung tissue surrounding the tumor. We demonstrate a novel iterative method of dose correction performed on the initial IMRT plan to produce a more uniform dose distribution within the PTV. This optimization method corrected for the dose missing on the periphery of the PTV and reduced the maximum dose on the PTV to 106% from 120% on the representative IMRT plan.

  6. Optimization of tensile method and specimen geometry in modified ring tensile test

    International Nuclear Information System (INIS)

    Kitano, Koji; Fuketa, Toyoshi; Sasajima, Hideo; Uetsuka, Hiroshi

    2001-03-01

    Several techniques in ring tensile test are proposed in order to evaluate mechanical properties of cladding under hoop loading condition caused by pellet/cladding mechanical interaction (PCMI). In the modified techniques, variety of tensile methods and specimen geometry are being proposed in order to limit deformation within the gauge section. However, the tensile method and the specimen geometry were not determined in the modified techniques. In the present study, we have investigated the tensile method and the specimen geometry through finite element method (FEM) analysis of specimen deformation and tensile test on specimens with various gauge section geometries. In using two-piece tensile tooling, the mechanical properties under hoop loading condition can be correctly evaluated when deformation part (gauge section) is put on the top of a half-mandrel, and friction between the specimen and the half-mandrel is reduced with Teflon tape. In addition, we have shown the optimum specimen geometry for PWR 17 by 17 type cladding. (author)

  7. Calculation of depletion with optimal distribution of initial control poison

    International Nuclear Information System (INIS)

    Castro Lobo, P.D. de.

    1978-03-01

    The spatial depletion equations are linearized within the time intervals and their solution is obtained by modal analysis. At the beginning of life an optimal poison distribution that maximizes neutron economy and the corresponding flux is determined. At the start of the subsequent time steps the flux distributions are obtained by pertubation method in relation to the start of the previous time steps. The problem was studied with constant poison distribution in order to evaluate the influence of the poison at the beginning of life. The results obtained by the modal expansion techniques are satisfactory. However, the optimization of the initial distribution of the control poison does not indicate any significant effect on the core life [pt

  8. Optimization of measurement geometries used by the C.I.R. 'Gamma Spectrometry' working group

    International Nuclear Information System (INIS)

    Escarieux, M.

    1979-01-01

    The choice of measurement geometry is closely tied to the objective sought in gamma quantitative analysis which consists in identifying the radionuclides present in a sample and in determining the voluminal quantities. The too low efficiency of the detector and the levels of activity sought make it necessary to place the sample in contact with the casing of the detector and select a sample geometry suited to the measurement. In point of fact this choice is often determined by other criteria, availability of the container for example, and this leads the laboratories taking part in the 'Gamma Spectrometry' Working Group of the Comite d'Instrumentation de Radioprotection to adopt joint gamma measurement geometries [fr

  9. Optimization of geometry for X-ray analysis of rare earth materials

    International Nuclear Information System (INIS)

    Lal, M.; Choudhury, R.K.; Agrawal, R.M.

    1987-01-01

    A method of sample excitation is proposed for obtaining good sensitivity and detection limits for rare earth elements (57 241 Am radioisotope source. Detection limits of about 100-300 ng for most of the elements using a thin multi-element sample on a Mylar backing are obtained for a counting time of 1h with a 100 mCi source. The configuration employed is a close-coupled collimated side source geometry in which the sample is mounted at 45 0 to the plane of the detector. A comparative study of the performance of different source geometries using both Mylar- and cellulose-based samples is described. (author)

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  11. A non-linear, finite element, heat conduction code to calculate temperatures in solids of arbitrary geometry

    International Nuclear Information System (INIS)

    Tayal, M.

    1987-01-01

    Structures often operate at elevated temperatures. Temperature calculations are needed so that the design can accommodate thermally induced stresses and material changes. A finite element computer called FEAT has been developed to calculate temperatures in solids of arbitrary shapes. FEAT solves the classical equation for steady state conduction of heat. The solution is obtained for two-dimensional (plane or axisymmetric) or for three-dimensional problems. Gap elements are use to simulate interfaces between neighbouring surfaces. The code can model: conduction; internal generation of heat; prescribed convection to a heat sink; prescribed temperatures at boundaries; prescribed heat fluxes on some surfaces; and temperature-dependence of material properties like thermal conductivity. The user has a option of specifying the detailed variation of thermal conductivity with temperature. For convenience to the nuclear fuel industry, the user can also opt for pre-coded values of thermal conductivity, which are obtained from the MATPRO data base (sponsored by the U.S. Nuclear Regulatory Commission). The finite element method makes FEAT versatile, and enables it to accurately accommodate complex geometries. The optional link to MATPRO makes it convenient for the nuclear fuel industry to use FEAT, without loss of generality. Special numerical techniques make the code inexpensive to run, for the type of material non-linearities often encounter in the analysis of nuclear fuel. The code, however, is general, and can be used for other components of the reactor, or even for non-nuclear systems. The predictions of FEAT have been compared against several analytical solutions. The agreement is usually better than 5%. Thermocouple measurements show that the FEAT predictions are consistent with measured changes in temperatures in simulated pressure tubes. FEAT was also found to predict well, the axial variations in temperatures in the end-pellets(UO 2 ) of two fuel elements irradiated

  12. Fiber coupled diode laser beam parameter product calculation and rules for optimized design

    Science.gov (United States)

    Wang, Zuolan; Segref, Armin; Koenning, Tobias; Pandey, Rajiv

    2011-03-01

    The Beam Parameter Product (BPP) of a passive, lossless system is a constant and cannot be improved upon but the beams may be reshaped for enhanced coupling performance. The function of the optical designer of fiber coupled diode lasers is to preserve the brightness of the diode sources while maximizing the coupling efficiency. In coupling diode laser power into fiber output, the symmetrical geometry of the fiber core makes it highly desirable to have symmetrical BPPs at the fiber input surface, but this is not always practical. It is therefore desirable to be able to know the 'diagonal' (fiber) BPP, using the BPPs of the fast and slow axes, before detailed design and simulation processes. A commonly used expression for this purpose, i.e. the square root of the sum of the squares of the BPPs in the fast and slow axes, has been found to consistently under-predict the fiber BPP (i.e. better beam quality is predicted than is actually achievable in practice). In this paper, using a simplified model, we provide the proof of the proper calculation of the diagonal (i.e. the fiber) BPP using BPPs of the fast and slow axes as input. Using the same simplified model, we also offer the proof that the fiber BPP can be shown to have a minimum (optimal) value for given diode BPPs and this optimized condition can be obtained before any detailed design and simulation are carried out. Measured and simulated data confirms satisfactory correlation between the BPPs of the diode and the predicted fiber BPP.

  13. Optimal calculational schemes for solving multigroup photon transport problem

    International Nuclear Information System (INIS)

    Dubinin, A.A.; Kurachenko, Yu.A.

    1987-01-01

    A scheme of complex algorithm for solving multigroup equation of radiation transport is suggested. The algorithm is based on using the method of successive collisions, the method of forward scattering and the spherical harmonics method, and is realized in the FORAP program (FORTRAN, BESM-6 computer). As an example the results of calculating reactor photon transport in water are presented. The considered algorithm being modified may be used for solving neutron transport problems

  14. A comparison between two optimized TFPM geometries for 5 MW direct-drive wind turbines

    DEFF Research Database (Denmark)

    Nica, Florin Valentin Traian; Ritchie, Ewen; Leban, Krisztina Monika

    2013-01-01

    for the industry. The approach presented in this paper focuses on a reduction in mass of active materials, which constitute the generator, because the price of the machine is in direct relation with the amount of materials used for the construction. This strategy is applied for two types of TFPM geometries...

  15. Mathematical modeling for prediction and optimization of TIG welding pool geometry

    Directory of Open Access Journals (Sweden)

    U. Esme

    2009-04-01

    Full Text Available In this work, nonlinear and multi-objective mathematical models were developed to determine the process parameters corresponding to optimum weld pool geometry. The objectives of the developed mathematical models are to maximize tensile load (TL, penetration (P, area of penetration (AP and/or minimize heat affected zone (HAZ, upper width (UW and upper height (UH depending upon the requirements.

  16. Two-dimensional DORT discrete ordinates X-Y geometry neutron flux calculations for the Halden Heavy Boiling Water Reactor core configurations

    Energy Technology Data Exchange (ETDEWEB)

    Slater, C.O.

    1990-07-01

    Results are reported for two-dimensional discrete ordinates, X-Y geometry calculations performed for seven Halden Heavy Boiling Water Reactor core configurations. The calculations were performed in support of an effort to reassess the neutron fluence received by the reactor vessel. Nickel foil measurement data indicated considerable underprediction of fluences by the previously used multigroup removal- diffusion method. Therefore, calculations by a more accurate method were deemed appropriate. For each core configuration, data are presented for (1) integral fluxes in the core and near the vessel wall, (2) neutron spectra at selected locations, (3) isoflux contours superimposed on the geometry models, (4) plots of the geometry models, and (5) input for the calculations. The initial calculations were performed with several mesh sizes. Comparisons of the results from these calculations indicated that the uncertainty in the calculated fluxes should be less than 10%. However, three-dimensional effects (such as axial asymmetry in the fuel loading) could contribute to much greater uncertainty in the calculated neutron fluxes. 7 refs., 22 figs., 11 tabs.

  17. Centrifugal pump’s impeller optimization using methods of calculation hydrodynamics

    Science.gov (United States)

    Grigoriev, S.; Mayorov, S.; Polyakov, R.

    2017-08-01

    The paper features the results of the fluid flow calculation in the channels of varying geometry of the centrifugal pump for the service water in the methanol production chain. Modeling of the flow in ANSYS CFX allowed developing recommendations on adjusting the impeller’s profile, significantly decrease the cavitation wear and increase the lifetime by several times.

  18. Control of the Dipole Cold Mass Geometry at CERN to Optimize LHC Performance

    CERN Document Server

    Wildner, E; La China, M; Tommasini, D

    2006-01-01

    The detailed shape of the 15 m long superconducting LHC dipole cold mass is of high importance as it determines three key parameters: the beam aperture, nominally of the order of 10 beam standard deviations; the connectivity of the beam- and technical lines between magnets; the transverse position of non-linear correctors mounted on the dipole ends. An offset of the latter produces unwanted beam dynamics perturbations. The tolerances are in the order of mm over the length of the magnet. The natural flexibility of the dipole and its mechanical structure allow deformations during handling and transportation which exceed the tolerances. This paper presents the observed deformations of the geometry during handling and various operations at CERN, deformations which are interpreted thanks to a simple mechanical model. These observations have led to a strategy of dipole geometry control at CERN, based on adjustment of the position of its central support (the dipole is supported at three positions, horizontally and v...

  19. Application of adobe flash media to optimize jigsaw learning model on geometry material

    Science.gov (United States)

    Imam, P.; Imam, S.; Ikrar, P.

    2018-05-01

    This study aims to determine and describe the effectiveness of the application of adobe flash media for jigsaw learning model on geometry material. In this study, the modified jigsaw learning with adobe flash media is called jigsaw-flash model. This research was conducted in Surakarta. The research method used is mix method research with exploratory sequential strategy. The results of this study indicate that students feel more comfortable and interested in studying geometry material taught by jigsaw-flash model. In addition, students taught using the jigsaw-flash model are more active and motivated than the students who were taught using ordinary jigsaw models. This shows that the use of the jigsaw-flash model can increase student participation and motivation. It can be concluded that the adobe flash media can be used as a solution to reduce the level of student abstraction in learning mathematics.

  20. submitter Optimization of Nb$_{3}$Sn Rutherford Cables Geometry for the High Luminosity LHC

    CERN Document Server

    Fleiter, Jerome; Bonasia, Angelo; Bordini, Bernardo; Richter, David

    2017-01-01

    The quadrupole and dipole magnets for the LHC High Luminosity (HL-LHC) upgrade will be based on Nb$_{3}$Sn Rutherford cables that operate at 1.9 K and experience magnetic fields of up to about 12 T. An important step in the design of these magnets is the development of the high aspect ratio Nb$_{3}$Sn cables to achieve the nominal field with sufficient margin. The strong plastic deformation of unreacted $Nb_3Sn$ strands during the Rutherford cabling process may induce non negligible $I_c$ and RRR degradation. In this paper, the cabling degradation is investigated as a function of the cable geometry for both PIT and RRP conductors. Based on this analysis, new baseline geometries for both 11 T and QXF magnets of HL-LHC are proposed.

  1. submitter Optimization of Nb$_{3}$Sn Rutherford Cables Geometry for the High Luminosity LHC

    CERN Document Server

    Fleiter, Jerome; Bonasia, Angelo; Bordini, Bernardo; Richter, David

    2017-01-01

    The quadrupole and dipole magnets for the LHC High Luminosity (HL-LHC) upgrade will be based on Nb3Sn Rutherford cables that operate at 1.9 K and experience magnetic fields of up to about 12 T. An important step in the design of these magnets is the development of the high aspect ratio Nb3Sn cables to achieve the nominal field with sufficient margin. The strong plastic deformation of unreacted $Nb_3Sn$ strands during the Rutherford cabling process may induce non negligible $I_c$ and RRR degradation. In this paper, the cabling degradation is investigated as a function of the cable geometry for both PIT and RRP conductors. Based on this analysis, new baseline geometries for both 11 T and QXF magnets of HL-LHC are proposed.

  2. Architectural geometry

    KAUST Repository

    Pottmann, Helmut; Eigensatz, Michael; Vaxman, Amir; Wallner, Johannes

    2014-01-01

    Around 2005 it became apparent in the geometry processing community that freeform architecture contains many problems of a geometric nature to be solved, and many opportunities for optimization which however require geometric understanding. This area of research, which has been called architectural geometry, meanwhile contains a great wealth of individual contributions which are relevant in various fields. For mathematicians, the relation to discrete differential geometry is significant, in particular the integrable system viewpoint. Besides, new application contexts have become available for quite some old-established concepts. Regarding graphics and geometry processing, architectural geometry yields interesting new questions but also new objects, e.g. replacing meshes by other combinatorial arrangements. Numerical optimization plays a major role but in itself would be powerless without geometric understanding. Summing up, architectural geometry has become a rewarding field of study. We here survey the main directions which have been pursued, we show real projects where geometric considerations have played a role, and we outline open problems which we think are significant for the future development of both theory and practice of architectural geometry.

  3. Architectural geometry

    KAUST Repository

    Pottmann, Helmut

    2014-11-26

    Around 2005 it became apparent in the geometry processing community that freeform architecture contains many problems of a geometric nature to be solved, and many opportunities for optimization which however require geometric understanding. This area of research, which has been called architectural geometry, meanwhile contains a great wealth of individual contributions which are relevant in various fields. For mathematicians, the relation to discrete differential geometry is significant, in particular the integrable system viewpoint. Besides, new application contexts have become available for quite some old-established concepts. Regarding graphics and geometry processing, architectural geometry yields interesting new questions but also new objects, e.g. replacing meshes by other combinatorial arrangements. Numerical optimization plays a major role but in itself would be powerless without geometric understanding. Summing up, architectural geometry has become a rewarding field of study. We here survey the main directions which have been pursued, we show real projects where geometric considerations have played a role, and we outline open problems which we think are significant for the future development of both theory and practice of architectural geometry.

  4. 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

  5. Geometry Optimization of an Overtopping Wave Energy Device Implemented into the New Breakwater of the Hanstholm Port Expansion

    DEFF Research Database (Denmark)

    Margheritini, Lucia; Stratigaki, Vasiliki; Troch, Peter

    2012-01-01

    breakwater is 1.5 km and the water depth ranges approximately from 8.0 m up to 14 m with localized influences on the wave climate. The study is conducted numerically in order to present the expected power production and overall performance of the SSG breakwater in Hanstholm. The price par kWh is also......The study presented here describes the geometry optimization of the Sea wave Slot cone Generator (SSG) overtopping wave energy converter as part of the feasibility study for the implementation of the device in the development plan of Hanstholm harbour in Denmark. The total length of the new planned...

  6. Spectroscopic and DFT studies of calix[4]arene: time-dependent DFT calculations for elucidating the variation in the excitation energies with geometry

    Energy Technology Data Exchange (ETDEWEB)

    Boo, Bong Hyun; Kwak, Hae Ran; Hong, Seung Ki [Chungnam National University, Daejeon (Korea, Republic of); Park, Chan Jo [Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); No, Kwang Hyun [Sookmyung Womens University, Seoul (Korea, Republic of)

    2010-08-15

    We have searched low-lying conformers of calix[4]arene and found one global minimum having a cone shape, together with three conformers such as partial cone-shape conformers. We then elucidated the thermodynamics for the conformational changes by performing density-functional theory (DFT) calculations. The time-dependent DFT calculation enabled us to assign the absorption spectrum and to reveal a variation of the excitation energies with geometry.

  7. Variationally Optimized Free-Energy Flooding for Rate Calculation

    Science.gov (United States)

    McCarty, James; Valsson, Omar; Tiwary, Pratyush; Parrinello, Michele

    2015-08-01

    We propose a new method to obtain kinetic properties of infrequent events from molecular dynamics simulation. The procedure employs a recently introduced variational approach [Valsson and Parrinello, Phys. Rev. Lett. 113, 090601 (2014)] to construct a bias potential as a function of several collective variables that is designed to flood the associated free energy surface up to a predefined level. The resulting bias potential effectively accelerates transitions between metastable free energy minima while ensuring bias-free transition states, thus allowing accurate kinetic rates to be obtained. We test the method on a few illustrative systems for which we obtain an order of magnitude improvement in efficiency relative to previous approaches and several orders of magnitude relative to unbiased molecular dynamics. We expect an even larger improvement in more complex systems. This and the ability of the variational approach to deal efficiently with a large number of collective variables will greatly enhance the scope of these calculations. This work is a vindication of the potential that the variational principle has if applied in innovative ways.

  8. Model-Based Optimization of Scaffold Geometry and Operating Conditions of Radial Flow Packed-Bed Bioreactors for Therapeutic Applications

    Directory of Open Access Journals (Sweden)

    Danilo Donato

    2014-01-01

    Full Text Available Radial flow perfusion of cell-seeded hollow cylindrical porous scaffolds may overcome the transport limitations of pure diffusion and direct axial perfusion in the realization of bioengineered substitutes of failing or missing tissues. Little has been reported on the optimization criteria of such bioreactors. A steady-state model was developed, combining convective and dispersive transport of dissolved oxygen with Michaelis-Menten cellular consumption kinetics. Dimensional analysis was used to combine more effectively geometric and operational variables in the dimensionless groups determining bioreactor performance. The effectiveness of cell oxygenation was expressed in terms of non-hypoxic fractional construct volume. The model permits the optimization of the geometry of hollow cylindrical constructs, and direction and magnitude of perfusion flow, to ensure cell oxygenation and culture at controlled oxygen concentration profiles. This may help engineer tissues suitable for therapeutic and drug screening purposes.

  9. Optimal design of the rotor geometry of line-start permanent magnet synchronous motor using the bat algorithm

    Science.gov (United States)

    Knypiński, Łukasz

    2017-12-01

    In this paper an algorithm for the optimization of excitation system of line-start permanent magnet synchronous motors will be presented. For the basis of this algorithm, software was developed in the Borland Delphi environment. The software consists of two independent modules: an optimization solver, and a module including the mathematical model of a synchronous motor with a self-start ability. The optimization module contains the bat algorithm procedure. The mathematical model of the motor has been developed in an Ansys Maxwell environment. In order to determine the functional parameters of the motor, additional scripts in Visual Basic language were developed. Selected results of the optimization calculation are presented and compared with results for the particle swarm optimization algorithm.

  10. ROXIE: Routine for the optimization of magnet X-sections, inverse field calculation and coil end design. Proceedings

    International Nuclear Information System (INIS)

    Russenschuck, S.

    1999-01-01

    The Large Hadron Collider (LHC) will provide proton-proton collisions with a center-of-mass energy of 14 TeV which requires high field superconducting magnets to guide the counter-rotating beams in the existing LEP tunnel with a circumference of about 27 km. The LHC magnet system consists of 1232 superconducting dipoles and 386 main quadrupoles together with about 20 different types of magnets for insertions and correction. The design and optimization of these magnets is dominated by the requirement of a extremely uniform field which is mainly defined by the layout of the superconducting coils. The program package ROXIE (Routine for the Optimization of magnet X-sections, Inverse field calculation and coil End design) has been developed for the design and optimization of the coil geometries in two and three dimensions. Recently it has been extended in a collaboration with the University of Graz, Austria, to the calculation of saturation induced effects using a reduced vector-potential FEM formulation. With the University of Stuttgart, Germany, a collaboration exists fro the application of the BEM-FEM coupling method for the 2D and 3D field calculation. ROXIE now also features a TCL-TK user interface. The growing number of ROXIE users inside and outside CERN gave rise to the idea of organizing the 'First International ROXIE Users Meeting and Workshop' at CERN, March 16-18, 1998 which brought together about 50 researchers in the field. This report contains the contributions to the workshop and describes the features of the program, the mathematical optimization techniques applied and gives examples of the recent design work carried out. It also gives the theoretical background for the field computation methods and serves as a handbook for the installation and application of the program. (orig.)

  11. ROXIE: Routine for the optimization of magnet X-sections, inverse field calculation and coil end design. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Russenschuck, S [ed.

    1999-04-12

    The Large Hadron Collider (LHC) will provide proton-proton collisions with a center-of-mass energy of 14 TeV which requires high field superconducting magnets to guide the counter-rotating beams in the existing LEP tunnel with a circumference of about 27 km. The LHC magnet system consists of 1232 superconducting dipoles and 386 main quadrupoles together with about 20 different types of magnets for insertions and correction. The design and optimization of these magnets is dominated by the requirement of a extremely uniform field which is mainly defined by the layout of the superconducting coils. The program package ROXIE (Routine for the Optimization of magnet X-sections, Inverse field calculation and coil End design) has been developed for the design and optimization of the coil geometries in two and three dimensions. Recently it has been extended in a collaboration with the University of Graz, Austria, to the calculation of saturation induced effects using a reduced vector-potential FEM formulation. With the University of Stuttgart, Germany, a collaboration exists fro the application of the BEM-FEM coupling method for the 2D and 3D field calculation. ROXIE now also features a TCL-TK user interface. The growing number of ROXIE users inside and outside CERN gave rise to the idea of organizing the 'First International ROXIE Users Meeting and Workshop' at CERN, March 16-18, 1998 which brought together about 50 researchers in the field. This report contains the contributions to the workshop and describes the features of the program, the mathematical optimization techniques applied and gives examples of the recent design work carried out. It also gives the theoretical background for the field computation methods and serves as a handbook for the installation and application of the program. (orig.)

  12. Evolutionary algorithm based optimization of hydraulic machines utilizing a state-of-the-art block coupled CFD solver and parametric geometry and mesh generation tools

    Science.gov (United States)

    S, Kyriacou; E, Kontoleontos; S, Weissenberger; L, Mangani; E, Casartelli; I, Skouteropoulou; M, Gattringer; A, Gehrer; M, Buchmayr

    2014-03-01

    An efficient hydraulic optimization procedure, suitable for industrial use, requires an advanced optimization tool (EASY software), a fast solver (block coupled CFD) and a flexible geometry generation tool. EASY optimization software is a PCA-driven metamodel-assisted Evolutionary Algorithm (MAEA (PCA)) that can be used in both single- (SOO) and multiobjective optimization (MOO) problems. In MAEAs, low cost surrogate evaluation models are used to screen out non-promising individuals during the evolution and exclude them from the expensive, problem specific evaluation, here the solution of Navier-Stokes equations. For additional reduction of the optimization CPU cost, the PCA technique is used to identify dependences among the design variables and to exploit them in order to efficiently drive the application of the evolution operators. To further enhance the hydraulic optimization procedure, a very robust and fast Navier-Stokes solver has been developed. This incompressible CFD solver employs a pressure-based block-coupled approach, solving the governing equations simultaneously. This method, apart from being robust and fast, also provides a big gain in terms of computational cost. In order to optimize the geometry of hydraulic machines, an automatic geometry and mesh generation tool is necessary. The geometry generation tool used in this work is entirely based on b-spline curves and surfaces. In what follows, the components of the tool chain are outlined in some detail and the optimization results of hydraulic machine components are shown in order to demonstrate the performance of the presented optimization procedure.

  13. Evolutionary algorithm based optimization of hydraulic machines utilizing a state-of-the-art block coupled CFD solver and parametric geometry and mesh generation tools

    International Nuclear Information System (INIS)

    Kyriacou S; Kontoleontos E; Weissenberger S; Mangani L; Casartelli E; Skouteropoulou I; Gattringer M; Gehrer A; Buchmayr M

    2014-01-01

    An efficient hydraulic optimization procedure, suitable for industrial use, requires an advanced optimization tool (EASY software), a fast solver (block coupled CFD) and a flexible geometry generation tool. EASY optimization software is a PCA-driven metamodel-assisted Evolutionary Algorithm (MAEA (PCA)) that can be used in both single- (SOO) and multiobjective optimization (MOO) problems. In MAEAs, low cost surrogate evaluation models are used to screen out non-promising individuals during the evolution and exclude them from the expensive, problem specific evaluation, here the solution of Navier-Stokes equations. For additional reduction of the optimization CPU cost, the PCA technique is used to identify dependences among the design variables and to exploit them in order to efficiently drive the application of the evolution operators. To further enhance the hydraulic optimization procedure, a very robust and fast Navier-Stokes solver has been developed. This incompressible CFD solver employs a pressure-based block-coupled approach, solving the governing equations simultaneously. This method, apart from being robust and fast, also provides a big gain in terms of computational cost. In order to optimize the geometry of hydraulic machines, an automatic geometry and mesh generation tool is necessary. The geometry generation tool used in this work is entirely based on b-spline curves and surfaces. In what follows, the components of the tool chain are outlined in some detail and the optimization results of hydraulic machine components are shown in order to demonstrate the performance of the presented optimization procedure

  14. Artificial intelligence search techniques for optimization of the cold source geometry

    International Nuclear Information System (INIS)

    Azmy, Y.Y.

    1988-01-01

    Most optimization studies of cold neutron sources have concentrated on the numerical prediction or experimental measurement of the cold moderator optimum thickness which produces the largest cold neutron leakage for a given thermal neutron source. Optimizing the geometrical shape of the cold source, however, is a more difficult problem because the optimized quantity, the cold neutron leakage, is an implicit function of the shape which is the unknown in such a study. We draw an analogy between this problem and a state space search, then we use a simple Artificial Intelligence (AI) search technique to determine the optimum cold source shape based on a two-group, r-z diffusion model. We implemented this AI design concept in the computer program AID which consists of two modules, a physical model module and a search module, which can be independently modified, improved, or made more sophisticated. 7 refs., 1 fig

  15. Artificial intelligence search techniques for the optimization of cold source geometry

    International Nuclear Information System (INIS)

    Azmy, Y.Y.

    1988-01-01

    Most optimization studies of cold neutron sources have concentrated on the numerical prediction or experimental measurement of the cold moderator optimum thickness that produces the largest cold neutron leakage for a given thermal neutron source. Optimizing the geometric shape of the cold source, however, is a more difficult problem because the optimized quantity, the cold neutron leakage, is an implicit function of the shape, which is the unknown in such a study. An analogy is drawn between this problem and a state space search, then a simple artificial intelligence (AI) search technique is used to determine the optimum cold source shape based on a two-group, r-z diffusion model. This AI design concept was implemented in the computer program AID, which consists of two modules, a physical model module, and a search module, which can be independently modified, improved, or made more sophisticated

  16. A fast dose calculation method based on table lookup for IMRT optimization

    International Nuclear Information System (INIS)

    Wu Qiuwen; Djajaputra, David; Lauterbach, Marc; Wu Yan; Mohan, Radhe

    2003-01-01

    This note describes a fast dose calculation method that can be used to speed up the optimization process in intensity-modulated radiotherapy (IMRT). Most iterative optimization algorithms in IMRT require a large number of dose calculations to achieve convergence and therefore the total amount of time needed for the IMRT planning can be substantially reduced by using a faster dose calculation method. The method that is described in this note relies on an accurate dose calculation engine that is used to calculate an approximate dose kernel for each beam used in the treatment plan. Once the kernel is computed and saved, subsequent dose calculations can be done rapidly by looking up this kernel. Inaccuracies due to the approximate nature of the kernel in this method can be reduced by performing scheduled kernel updates. This fast dose calculation method can be performed more than two orders of magnitude faster than the typical superposition/convolution methods and therefore is suitable for applications in which speed is critical, e.g., in an IMRT optimization that requires a simulated annealing optimization algorithm or in a practical IMRT beam-angle optimization system. (note)

  17. Analysis of Radiation Treatment Planning by Dose Calculation and Optimization Algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dae Sup; Yoon, In Ha; Lee, Woo Seok; Baek, Geum Mun [Dept. of Radiation Oncology, Asan Medical Center, Seoul (Korea, Republic of)

    2012-09-15

    Analyze the Effectiveness of Radiation Treatment Planning by dose calculation and optimization algorithm, apply consideration of actual treatment planning, and then suggest the best way to treatment planning protocol. The treatment planning system use Eclipse 10.0. (Varian, USA). PBC (Pencil Beam Convolution) and AAA (Anisotropic Analytical Algorithm) Apply to Dose calculation, DVO (Dose Volume Optimizer 10.0.28) used for optimized algorithm of Intensity Modulated Radiation Therapy (IMRT), PRO II (Progressive Resolution Optimizer V 8.9.17) and PRO III (Progressive Resolution Optimizer V 10.0.28) used for optimized algorithm of VAMT. A phantom for experiment virtually created at treatment planning system, 30x30x30 cm sized, homogeneous density (HU: 0) and heterogeneous density that inserted air assumed material (HU: -1,000). Apply to clinical treatment planning on the basis of general treatment planning feature analyzed with Phantom planning. In homogeneous density phantom, PBC and AAA show 65.2% PDD (6 MV, 10 cm) both, In heterogeneous density phantom, also show similar PDD value before meet with low density material, but they show different dose curve in air territory, PDD 10 cm showed 75%, 73% each after penetrate phantom. 3D treatment plan in same MU, AAA treatment planning shows low dose at Lung included area. 2D POP treatment plan with 15 MV of cervical vertebral region include trachea and lung area, Conformity Index (ICRU 62) is 0.95 in PBC calculation and 0.93 in AAA. DVO DVH and Dose calculation DVH are showed equal value in IMRT treatment plan. But AAA calculation shows lack of dose compared with DVO result which is satisfactory condition. Optimizing VMAT treatment plans using PRO II obtained results were satisfactory, but lower density area showed lack of dose in dose calculations. PRO III, but optimizing the dose calculation results were similar with optimized the same conditions once more. In this study, do not judge the rightness of the dose

  18. Analysis of Radiation Treatment Planning by Dose Calculation and Optimization Algorithm

    International Nuclear Information System (INIS)

    Kim, Dae Sup; Yoon, In Ha; Lee, Woo Seok; Baek, Geum Mun

    2012-01-01

    Analyze the Effectiveness of Radiation Treatment Planning by dose calculation and optimization algorithm, apply consideration of actual treatment planning, and then suggest the best way to treatment planning protocol. The treatment planning system use Eclipse 10.0. (Varian, USA). PBC (Pencil Beam Convolution) and AAA (Anisotropic Analytical Algorithm) Apply to Dose calculation, DVO (Dose Volume Optimizer 10.0.28) used for optimized algorithm of Intensity Modulated Radiation Therapy (IMRT), PRO II (Progressive Resolution Optimizer V 8.9.17) and PRO III (Progressive Resolution Optimizer V 10.0.28) used for optimized algorithm of VAMT. A phantom for experiment virtually created at treatment planning system, 30x30x30 cm sized, homogeneous density (HU: 0) and heterogeneous density that inserted air assumed material (HU: -1,000). Apply to clinical treatment planning on the basis of general treatment planning feature analyzed with Phantom planning. In homogeneous density phantom, PBC and AAA show 65.2% PDD (6 MV, 10 cm) both, In heterogeneous density phantom, also show similar PDD value before meet with low density material, but they show different dose curve in air territory, PDD 10 cm showed 75%, 73% each after penetrate phantom. 3D treatment plan in same MU, AAA treatment planning shows low dose at Lung included area. 2D POP treatment plan with 15 MV of cervical vertebral region include trachea and lung area, Conformity Index (ICRU 62) is 0.95 in PBC calculation and 0.93 in AAA. DVO DVH and Dose calculation DVH are showed equal value in IMRT treatment plan. But AAA calculation shows lack of dose compared with DVO result which is satisfactory condition. Optimizing VMAT treatment plans using PRO II obtained results were satisfactory, but lower density area showed lack of dose in dose calculations. PRO III, but optimizing the dose calculation results were similar with optimized the same conditions once more. In this study, do not judge the rightness of the dose

  19. Study of dose calculation and beam parameters optimization with genetic algorithm in IMRT

    International Nuclear Information System (INIS)

    Chen Chaomin; Tang Mutao; Zhou Linghong; Lv Qingwen; Wang Zhuoyu; Chen Guangjie

    2006-01-01

    Objective: To study the construction of dose calculation model and the method of automatic beam parameters selection in IMRT. Methods: The three-dimension convolution dose calculation model of photon was constructed with the methods of Fast Fourier Transform. The objective function based on dose constrain was used to evaluate the fitness of individuals. The beam weights were optimized with genetic algorithm. Results: After 100 iterative analyses, the treatment planning system produced highly conformal and homogeneous dose distributions. Conclusion: the throe-dimension convolution dose calculation model of photon gave more accurate results than the conventional models; genetic algorithm is valid and efficient in IMRT beam parameters optimization. (authors)

  20. Geometry of the toroidal N-helix: optimal-packing and zero-twist

    DEFF Research Database (Denmark)

    Olsen, Kasper; Bohr, Jakob

    2012-01-01

    Two important geometrical properties of N-helix structures are influenced by bending. One is maximizing the volume fraction, which is called optimal-packing, and the other is having a vanishing strain-twist coupling, which is called zero-twist. Zero-twist helices rotate neither in one nor...... helix. General N-helices are discussed, as well as zero-twist helices for N > 1. The derived geometrical restrictions are gradually modified by changing the aspect ratio of the torus....

  1. Optimal Mass Transport for Statistical Estimation, Image Analysis, Information Geometry, and Control

    Science.gov (United States)

    2017-01-10

    advances on formulating and solving optimal transport problems on discrete spaces (networks) while ensuring robustness of the transportation plan. This...Metric Uncertainty for Spectral Estimation based on Nevanlinna-Pick Interpolation, (with J. Karlsson) Intern. Symp. on the Math . Theory of Networks and...Systems, Melbourne 2012. 22. Geometric tools for the estimation of structured covariances, (with L. Ning, X. Jiang) Intern. Symposium on the Math . Theory

  2. Geometry optimization of five-phase permanent magnet synchronous motors using Bees algorithm

    Directory of Open Access Journals (Sweden)

    R Ilka

    2015-12-01

    Full Text Available Among all types of electrical motors, permanent magnet synchronous motors (PMSMs are reliable and efficient motors in industrial applications. Because of their superiority over other kinds of motors, they are replacing conventional electric motors. On the other hand, high-phase PMSMs are good candidates to be used in certain industrial and military projects such as electric vehicles, spacecrafts, naval systems and etc. In these cases, the motor has to be designed with minimum volume and high torque and efficiency. Design optimization can improve their features noticeably, thus reduce volume and enhance performance of motors. In this paper, a new method for optimum design of a five-phase surface-mounted permanent magnet synchronous motor is presented to achieve minimum permanent magnets (PMs volume with an increased torque and efficiency. Design optimization is performed in search for optimum dimensions of the motor and its permanent magnets using Bees Algorithm (BA. The design optimization results in a motor with great improvement regarding the original motor which is compared with two well-known evolutionary algorithms i.e. GA and PSO. Finally, finite element method simulation is utilized to validate the accuracy of the design.

  3. Three-dimensional solution structure of a DNA duplex containing the BclI restriction sequence: Two-dimensional NMR studies, distance geometry calculations, and refinement by back-calculation of the NOESY spectrum

    International Nuclear Information System (INIS)

    Banks, K.M.; Hare, D.R.; Reid, B.R.

    1989-01-01

    A three-dimensional solution structure for the self-complementary dodecanucleotide [(d-GCCTGATCAGGC)] 2 has been determined by distance geometry with further refinements being performed after back-calculation of the NOESY spectrum. This DNA dodecamer contains the hexamer [d(TGATCA)] 2 recognized and cut by the restriction endonuclease BclI, and its structure was determined in hopes of obtaining a better understanding of the sequence-specific interactions which occur between proteins and DNA. Preliminary examination of the structure indicates the structure is underwound with respect to idealized B-form DNA though some of the local structural parameters (glycosyl torsion angle and pseudorotation angle) suggest a B-family type of structure is present. This research demonstrates the requirements (resonance assignments, interproton distance measurements, distance geometry calculations, and NOESY spectra back-calculation) to generate experimentally self-consistent solution structures for short DNA sequences

  4. Using Neural Networks to Improve the Performance of Radiative Transfer Modeling Used for Geometry Dependent Surface Lambertian-Equivalent Reflectivity Calculations

    Science.gov (United States)

    Fasnacht, Zachary; Qin, Wenhan; Haffner, David P.; Loyola, Diego; Joiner, Joanna; Krotkov, Nickolay; Vasilkov, Alexander; Spurr, Robert

    2017-01-01

    Surface Lambertian-equivalent reflectivity (LER) is important for trace gas retrievals in the direct calculation of cloud fractions and indirect calculation of the air mass factor. Current trace gas retrievals use climatological surface LER's. Surface properties that impact the bidirectional reflectance distribution function (BRDF) as well as varying satellite viewing geometry can be important for retrieval of trace gases. Geometry Dependent LER (GLER) captures these effects with its calculation of sun normalized radiances (I/F) and can be used in current LER algorithms (Vasilkov et al. 2016). Pixel by pixel radiative transfer calculations are computationally expensive for large datasets. Modern satellite missions such as the Tropospheric Monitoring Instrument (TROPOMI) produce very large datasets as they take measurements at much higher spatial and spectral resolutions. Look up table (LUT) interpolation improves the speed of radiative transfer calculations but complexity increases for non-linear functions. Neural networks perform fast calculations and can accurately predict both non-linear and linear functions with little effort.

  5. Optimization geometries of a vortex gliding-arc reactor for partial oxidation of methane

    International Nuclear Information System (INIS)

    Guofeng, Xu; Xinwei, Ding

    2012-01-01

    The effects of the geometry of gliding-arc reactor – such as distance between the electrodes, outlet diameter, and inlet position – on the reactor characteristics (methane conversion, hydrogen yield, and energy efficiency) have not been fully investigated. In this paper, AC gliding-arc reactors including the vortex flow configuration are designed to produce hydrogen from the methane by partial oxidation. The influence of vortex flow configuration on the reactor characteristics is also studied by varying the inlet position. When the inlet of the gliding-arc reactor is positioned close to the outlet, reverse vortex flow reactor (RVFR), the maximum energy efficiency reaches 50% and the yields of hydrogen and carbon monoxide are 40% and 65%, respectively. As the distance between electrodes increases from 5 mm to 15 mm, both hydrogen yield and energy efficiency increase approximately 10% for the RVFR. The energy efficiency and hydrogen yield are highest when the ratio of the outlet diameter to the inner diameter is 0.5 for the RVFR. Experimental results indicate that the flow field in the plasma reactor has an important influence on the reactor performance. Furthermore, hydrogen production increases as the number of feed gas flows in contact with the plasma zone increases. -- Highlights: ► Gliding-arc reactors were designed to produce hydrogen for studying the characteristics of the vortex flow reactor. ► Hydrogen yield of reverse vortex flow reactor was 10% higher than that of forward vortex flow reactor. ► Maximum energy efficiency was 50% for reverse vortex flow reactor. ► If discharge power was supplied to the reactors, the reactor performance increased with increasing distance between electrodes. ► Optimum ratio of the outlet and inner diameter was 1/2.

  6. Optimal sensor placement for control of a supersonic mixed-compression inlet with variable geometry

    Science.gov (United States)

    Moore, Kenneth Thomas

    A method of using fluid dynamics models for the generation of models that are useable for control design and analysis is investigated. The problem considered is the control of the normal shock location in the VDC inlet, which is a mixed-compression, supersonic, variable-geometry inlet of a jet engine. A quasi-one-dimensional set of fluid equations incorporating bleed and moving walls is developed. An object-oriented environment is developed for simulation of flow systems under closed-loop control. A public interface between the controller and fluid classes is defined. A linear model representing the dynamics of the VDC inlet is developed from the finite difference equations, and its eigenstructure is analyzed. The order of this model is reduced using the square root balanced model reduction method to produce a reduced-order linear model that is suitable for control design and analysis tasks. A modification to this method that improves the accuracy of the reduced-order linear model for the purpose of sensor placement is presented and analyzed. The reduced-order linear model is used to develop a sensor placement method that quantifies as a function of the sensor location the ability of a sensor to provide information on the variable of interest for control. This method is used to develop a sensor placement metric for the VDC inlet. The reduced-order linear model is also used to design a closed loop control system to control the shock position in the VDC inlet. The object-oriented simulation code is used to simulate the nonlinear fluid equations under closed-loop control.

  7. Experimental data and calculation studies of critical heat fluxes at local disturbances of geometry of WWER fuel assemblies

    International Nuclear Information System (INIS)

    Kobzar, L.L.; Oleksyuk, D.A.

    2001-01-01

    The results of experiments executed in RRC 'Kurchatov Institute on the thermal-physical critical facility SVD are presented herein. The experiments modeled the drawing of two fuel rods to each other till touching WWER-1000 reactor in FA. The experimental model is a 7-rod bundle with the heated length of 1 m. The primary goal of experiments was to acquire the quantitative factors of the reduction in the critical heat fluxes as contrasted to the basic model (without disturbances of FA geometry) at the expense of local disturbance of a rod bundle geometry. As it follows from the experiment, the effect of decrease of the critical heat rate depends on combination of regime parameters and it makes 15% in the most unfavorable case (Authors)

  8. Shielding NSLS-II light source: Importance of geometry for calculating radiation levels from beam losses [Shielding Synchrotron Light Sources: Importance of geometry for calculating radiation levels from beam losses

    International Nuclear Information System (INIS)

    Kramer, S. L.; Ghosh, V. J.; Breitfeller, M.; Wahl, W.

    2016-01-01

    Third generation high brightness light sources are designed to have low emittance and high current beams, which contribute to higher beam loss rates that will be compensated by Top-Off injection. Shielding for these higher loss rates will be critical to protect the projected higher occupancy factors for the users. Top-Off injection requires a full energy injector, which will demand greater consideration of the potential abnormal beam miss-steering and localized losses that could occur. The high energy electron injection beam produces significantly higher neutron component dose to the experimental floor than a lower energy beam injection and ramped operations. Minimizing this dose will require adequate knowledge of where the miss-steered beam can occur and sufficient EM shielding close to the loss point, in order to attenuate the energy of the particles in the EM shower below the neutron production threshold (<10 MeV), which will spread the incident energy on the bulk shield walls and thereby the dose penetrating the shield walls. Designing supplemental shielding near the loss point using the analytic shielding model is shown to be inadequate because of its lack of geometry specification for the EM shower process. To predict the dose rates outside the tunnel requires detailed description of the geometry and materials that the beam losses will encounter inside the tunnel. Modern radiation shielding Monte-Carlo codes, like FLUKA, can handle this geometric description of the radiation transport process in sufficient detail, allowing accurate predictions of the dose rates expected and the ability to show weaknesses in the design before a high radiation incident occurs. The effort required to adequately define the accelerator geometry for these codes has been greatly reduced with the implementation of the graphical interface of FLAIR to FLUKA. This made the effective shielding process for NSLS-II quite accurate and reliable. Lastly, the principles used to provide

  9. Optimization of electrode geometry and piezoelectric layer thickness of a deformable mirror

    Directory of Open Access Journals (Sweden)

    Nováková Kateřina

    2013-05-01

    Full Text Available Deformable mirrors are the most commonly used wavefront correctors in adaptive optics systems. Nowadays, many applications of adaptive optics to astronomical telescopes, high power laser systems, and similar fast response optical devices require large diameter deformable mirrors with a fast response time and high actuator stroke. In order to satisfy such requirements, deformable mirrors based on piezoelectric layer composite structures have become a subject of intense scientific research during last two decades. In this paper, we present an optimization of several geometric parameters of a deformable mirror that consists of a nickel reflective layer deposited on top of a thin lead zirconate titanate (PZT piezoelectric disk. Honeycomb structure of gold electrodes is deposited on the bottom of the PZT layer. The analysis of the optimal thickness ratio between the PZT and nickel layers is performed to get the maximum actuator stroke using the finite element method. The effect of inter-electrode distance on the actuator stroke and influence function is investigated. Applicability and manufacturing issues are discussed.

  10. Spinning geometry = Twisted geometry

    International Nuclear Information System (INIS)

    Freidel, Laurent; Ziprick, Jonathan

    2014-01-01

    It is well known that the SU(2)-gauge invariant phase space of loop gravity can be represented in terms of twisted geometries. These are piecewise-linear-flat geometries obtained by gluing together polyhedra, but the resulting geometries are not continuous across the faces. Here we show that this phase space can also be represented by continuous, piecewise-flat three-geometries called spinning geometries. These are composed of metric-flat three-cells glued together consistently. The geometry of each cell and the manner in which they are glued is compatible with the choice of fluxes and holonomies. We first remark that the fluxes provide each edge with an angular momentum. By studying the piecewise-flat geometries which minimize edge lengths, we show that these angular momenta can be literally interpreted as the spin of the edges: the geometries of all edges are necessarily helices. We also show that the compatibility of the gluing maps with the holonomy data results in the same conclusion. This shows that a spinning geometry represents a way to glue together the three-cells of a twisted geometry to form a continuous geometry which represents a point in the loop gravity phase space. (paper)

  11. Restoration of optimal ellipsoid left ventricular geometry: lessons learnt from in silico surgical modelling.

    Science.gov (United States)

    Adhyapak, Srilakshmi M; Menon, Prahlad G; Rao Parachuri, V

    2014-02-01

    Several issues that are inherent in the surgical techniques of surgical ventricular restoration (SVR) need specialized devices or techniques to overcome them, which may not always result in optimal outcomes. We used a non-invasive novel in silico modelling technique to study left ventricular (LV) morphology and function before and after SVR. The cardiac magnetic resonance imaging derived actual pre- and postoperative endocardial morphology and function was compared with the in silico analysis of the same. Cardiac magnetic resonance steady state free precession (SSFP) cine images were employed to segment endocardial surface contours over the cardiac cycle. Using the principle of Hausdorff distance to examine phase-to-phase regional endocardial displacement, dyskinetic/akinetic areas were identified at the instant of peak basal contraction velocity. Using a three-dimensional (3D) surface clipping tool, the maximally scarred, dyskinetic or akinetic LV antero-apical areas were virtually resected and a new apex was created. A virtual rectangular patch was created upon the clipped surface LV model by 3D Delaunay triangulation. Presurgical endocardial mechanical function quantified from cine cardiac magnetic resonance, using a technique of spherical harmonics (SPHARM) surface parameterization, was applied onto the virtually clipped and patched LV surface model. Finally, the in silico model of post-SVR LV shape was analysed for quantification of regional left ventricular volumes (RLVVs) and function. This was tested in 2 patients with post-myocardial infarction antero-apical LV aneuryms. Left ventricular mechanical dysynchrony was evaluated by RLVV analysis of pre-SVR, in silico post-SVR and actual post-SVR LV endocardial surface data. Following exclusion of the scarred areas, the virtual resected LV model demonstrated significantly lesser areas of akinesia. The decreases in regional LV volumes in the in silico modelling were significant and comparable with the actual

  12. Neutron flux calculations for the Rossendorf research reactor in (hex)- and (hex,z)-geometry using SNAP-3D

    International Nuclear Information System (INIS)

    Koch, R.; Findeisen, A.

    1986-04-01

    The multigroup neutron diffusion theory code SNAP-3D has been used to perform time independent neutron flux and power calculations of the 10 MW Rossendorf research reactor of the type WWR-SM. The report describes these calculations, as well as the actual reactor configuration, some details of the code SNAP-3D, and two- and three-dimensional reactor models. For evaluating the calculations some flux values and control rod worths have been compared with those of measurements. (author)

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

    International Nuclear Information System (INIS)

    Titarenko, N.N.

    1987-01-01

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

  14. Optimized-geometry ARROW waveguides using TiO{sub 2} as anti-resonant layer

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Daniel O.; Albertin, Katia F.; Alayo, Marco I. [PSI, University of Sao Paulo (Brazil)

    2010-04-15

    The simulation, fabrication and characterization of ARROW waveguides using dielectric films deposited by Plasma Enhanced Chemical Vapor Deposition (PECVD) and Sputtering techniques, are presented in this work. Amorphous titanium oxide (TiO{sub 2}) films were used as first cladding layer and silicon oxynitride (SiO{sub x}N{sub y}) films, as core layer. Furthermore, homemade routines based in two computational methods were used, for numerical simulations: Transfer Matrix Method (TMM) for the determination of the optimum thickness values of the Fabry-Perot layers, and the Finite Difference Method (FDM) for 2D design and determination of the maximum width that allows single-mode operation. The utilization of thermally grown silicon oxide as second anti-resonant layer, along with improvements in the Reactive Ion Etching conditions for the definition of sidewalls of the optical waveguides were responsible for diminishing optical attenuations. Optimization of the waveguide rib height was done both through FDM simulations and experimentally. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. A response matrix method for slab-geometry discrete ordinates adjoint calculations in energy-dependent source-detector problems

    Energy Technology Data Exchange (ETDEWEB)

    Mansur, Ralph S.; Moura, Carlos A., E-mail: ralph@ime.uerj.br, E-mail: demoura@ime.uerj.br [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Departamento de Engenharia Mecanica; Barros, Ricardo C., E-mail: rcbarros@pq.cnpq.br [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil). Departamento de Modelagem Computacional

    2017-07-01

    Presented here is an application of the Response Matrix (RM) method for adjoint discrete ordinates (S{sub N}) problems in slab geometry applied to energy-dependent source-detector problems. The adjoint RM method is free from spatial truncation errors, as it generates numerical results for the adjoint angular fluxes in multilayer slabs that agree with the numerical values obtained from the analytical solution of the energy multigroup adjoint SN equations. Numerical results are given for two typical source-detector problems to illustrate the accuracy and the efficiency of the offered RM computer code. (author)

  16. Resolution of the multigroup scattering equation in a one-dimensional geometry and subsidiary calculations: the MUDE code; Resolution de l'equation multigroupe de la diffusion dans une geometrie a une dimension et calculs annexes: code MUDE

    Energy Technology Data Exchange (ETDEWEB)

    Bore, C; Dandeu, Y; Saint-Amand, Ch [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-07-01

    MUDE is a nuclear code written in FORTRAN II for IBM 7090-7094. It resolves a system of difference equations approximating to the one-dimensional multigroup neutron scattering problem. More precisely, this code makes it possible to: 1. Calculate the critical condition of a reactor (k{sub eff}, critical radius, critical composition) and the corresponding fluxes; 2. Calculate the associated fluxes and various subsidiary results; 3. Carry out perturbation calculations; 4. Study the propagation of fluxes at a distance; 5. Estimate the relative contributions of the cross sections (macroscopic or microscopic); 6. Study the changes with time of the composition of the reactor. (authors) [French] MUDE est un code nucleaire ecrit en FORTRAN II pour IBM 7090-7094. Il resout un systeme d'equations aux differences approchant le probleme de diffusion neutronique multigroupe a une dimension. Plus precisement ce code permet de: 1. Calculer la condition critique d'un reacteur (k{sub eff}, rayon critique, composition critique) et les flux correspondants; 2. Calculer les flux adjoints et divers resultats connexes; 3. Effectuer des calculs de perturbation; 4. Etudier la propagation des flux a longue distance; 5. Ponderer des sections efficaces (macroscopiques ou microscopiques); 6. Etudier l'evolution de la composition du reacteur au cours du temps. (auteurs)

  17. A 3D multi-mode geometry-independent RMP optimization method and its application to TCV

    International Nuclear Information System (INIS)

    Rossel, J X; Moret, J-M; Martin, Y

    2010-01-01

    Resonant magnetic perturbation (RMP) and error field correction (EFC) produced by toroidally and poloidally distributed coil systems can be optimized if each coil is powered with an independent power supply. A 3D multi-mode geometry-independent Lagrange method has been developed and appears to be an efficient way to minimize the parasitic spatial modes of the magnetic perturbation and the coil current requirements while imposing the amplitude and phase of a number of target modes. A figure of merit measuring the quality of a perturbation spectrum with respect to RMP independently of the considered coil system or plasma equilibrium is proposed. To ease the application of the Lagrange method, a spectral characterization of the system, based on a generalized discrete Fourier transform applied in current space, is performed to determine how spectral degeneracy and side-band creation limit the set of simultaneously controllable target modes. This characterization is also useful to quantify the efficiency of the coil system in each toroidal mode number and to know whether optimization is possible for a given number of target modes. The efficiency of the method is demonstrated in the special case of a multi-purpose saddle coil system proposed as part of a future upgrade of Tokamak a Configuration Variable (TCV). This system consists of three rows of eight internal coils, each coil having independent power supplies, and provides simultaneously EFC, RMP and fast vertical position control.

  18. Capacity Impacts and Optimal Geometry of Automated Cars’ Surface Parking Facilities

    Directory of Open Access Journals (Sweden)

    You Kong

    2018-01-01

    Full Text Available The impact of Automated Vehicles (AVs on urban geography has been widely speculated, though there is little quantitative evidence in the literature to establish the magnitude of such effects. To quantify the impact of the greater precision of automated driving on the spatial efficiency of off-street parking facilities, we develop a mixed integer nonlinear model (solved via a branch-and-cut approach and present comparisons against industry-standard requirements for human-driving operation. We demonstrate that gains on the order of 40–50% in spatial efficiency (parking spaces per unit area are in principle achievable while ensuring that each parked vehicle is independently accessible. We further show that the large majority of these efficiency gains can be obtained under current automotive engineering practice in which only the front two wheels pivot. There is a need for standardized methods that take the parking supply of a city as an input and calculate both the aggregate (citywide efficiency impacts of automated driving and the spatial distribution of the effects. This study is intended as an initial step towards this objective.

  19. Optimal electricity price calculation model for retailers in a deregulated market

    Energy Technology Data Exchange (ETDEWEB)

    Yusta, J.M.; Dominguez-Navarro, J.A. [Zaragoza Univ., Dept. of Electrical Engineering, Zaragoza (Spain); Ramirez-Rosado, I.J. [La Rioja Univ., Dept. of Electrical Engineering, Logrono (Spain); Perez-Vidal, J.M. [McKinnon and Clarke, Energy Services Div., Zaragoza (Spain)

    2005-07-01

    The electricity retailing, a new business in deregulated electric power systems, needs the development of efficient tools to optimize its operation. This paper defines a technical-economic model of an electric energy service provider in the environment of the deregulated electricity market in Spain. This model results in an optimization problem, for calculating the optimal electric power and energy selling prices that maximize the economic profits obtained by the provider. This problem is applied to different cases, where the impact on the profits of several factors, such as the price strategy, the discount on tariffs and the elasticity of customer demand functions, is studied. (Author)

  20. Optimal electricity price calculation model for retailers in a deregulated market

    International Nuclear Information System (INIS)

    Yusta, J.M.; Dominguez-Navarro, J.A.; Ramirez-Rosado, I.J.; Perez-Vidal, J.M.

    2005-01-01

    The electricity retailing, a new business in deregulated electric power systems, needs the development of efficient tools to optimize its operation. This paper defines a technical-economic model of an electric energy service provider in the environment of the deregulated electricity market in Spain. This model results in an optimization problem, for calculating the optimal electric power and energy selling prices that maximize the economic profits obtained by the provider. This problem is applied to different cases, where the impact on the profits of several factors, such as the price strategy, the discount on tariffs and the elasticity of customer demand functions, is studied. (Author)

  1. Changes in the geometries of C₂H₂ and C₂H₄ on coordination to CuCl revealed by broadband rotational spectroscopy and ab-initio calculations.

    Science.gov (United States)

    Stephens, Susanna L; Bittner, Dror M; Mikhailov, Victor A; Mizukami, Wataru; Tew, David P; Walker, Nicholas R; Legon, Anthony C

    2014-10-06

    The molecular geometries of isolated complexes in which a single molecule of C2H4 or C2H2 is bound to CuCl have been determined through pure rotational spectroscopy and ab-initio calculations. The C2H2···CuCl and C2H4···CuCl complexes are generated through laser vaporization of a copper rod in the presence of a gas sample undergoing supersonic expansion and containing C2H2 (or C2H4), CCl4, and Ar. Results are presented for five isotopologues of C2H2···CuCl and six isotopologues of C2H4···CuCl. Both of these complexes adopt C(2v), T-shaped geometries in which the hydrocarbon binds to the copper atom through its π electrons such that the metal is equidistant from all H atoms. The linear and planar geometries of free C2H2 and C2H4, respectively, are observed to distort significantly on attachment to the CuCl unit, and the various changes are quantified. The ∠(*-C-H) parameter in C2H2 (where * indicates the midpoint of the C≡C bond) is measured to be 192.4(7)° in the r0 geometry of the complex representing a significant change from the linear geometry of the free molecule. This distortion of the linear geometry of C2H2 involves the hydrogen atoms moving away from the copper atom within the complex. Ab-initio calculations at the CCSD(T)(F12*)/AVTZ level predict a dihedral ∠(HCCCu) angle of 96.05° in C2H4···CuCl, and the experimental results are consistent with such a distortion from planarity. The bonds connecting the carbon atoms within each of C2H2 and C2H4, respectively, extend by 0.027 and 0.029 Å relative to the bond lengths in the isolated molecules. Force constants, k(σ), and nuclear quadrupole coupling constants, χ(aa)(Cu), [χ(bb)(Cu) - χ(cc)(Cu)], χ(aa)(Cl), and [χ(bb)(Cl) - χ(cc)(Cl)], are independently determined for all isotopologues of C2H2···CuCl studied and for four isotopologues of C2H4···CuCl.

  2. TU-AB-BRC-12: Optimized Parallel MonteCarlo Dose Calculations for Secondary MU Checks

    Energy Technology Data Exchange (ETDEWEB)

    French, S; Nazareth, D [Roswell Park Cancer Institute, Buffalo, NY (United States); Bellor, M [Lockheed Martin, Manassas, VA (United States)

    2016-06-15

    Purpose: Secondary MU checks are an important tool used during a physics review of a treatment plan. Commercial software packages offer varying degrees of theoretical dose calculation accuracy, depending on the modality involved. Dose calculations of VMAT plans are especially prone to error due to the large approximations involved. Monte Carlo (MC) methods are not commonly used due to their long run times. We investigated two methods to increase the computational efficiency of MC dose simulations with the BEAMnrc code. Distributed computing resources, along with optimized code compilation, will allow for accurate and efficient VMAT dose calculations. Methods: The BEAMnrc package was installed on a high performance computing cluster accessible to our clinic. MATLAB and PYTHON scripts were developed to convert a clinical VMAT DICOM plan into BEAMnrc input files. The BEAMnrc installation was optimized by running the VMAT simulations through profiling tools which indicated the behavior of the constituent routines in the code, e.g. the bremsstrahlung splitting routine, and the specified random number generator. This information aided in determining the most efficient compiling parallel configuration for the specific CPU’s available on our cluster, resulting in the fastest VMAT simulation times. Our method was evaluated with calculations involving 10{sup 8} – 10{sup 9} particle histories which are sufficient to verify patient dose using VMAT. Results: Parallelization allowed the calculation of patient dose on the order of 10 – 15 hours with 100 parallel jobs. Due to the compiler optimization process, further speed increases of 23% were achieved when compared with the open-source compiler BEAMnrc packages. Conclusion: Analysis of the BEAMnrc code allowed us to optimize the compiler configuration for VMAT dose calculations. In future work, the optimized MC code, in conjunction with the parallel processing capabilities of BEAMnrc, will be applied to provide accurate

  3. Evaluation and optimization of the performance of frame geometries for lithium-ion battery application by computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, D. [Centro/Departamento de Física, Universidade do Minho, 4710-057 Braga (Portugal); Instituto Politécnico de Viana do Castelo, Viana do Castelo (Portugal); Miranda, F. [CIDMA, Universidade de Aveiro, Aveiro (Portugal); Instituto Politécnico de Viana do Castelo, Viana do Castelo (Portugal); Costa, C. M.; Almeida, A. M.; Lanceros-Méndez, S. [Centro/Departamento de Física, Universidade do Minho, 4710-057 Braga (Portugal)

    2016-06-08

    Tailoring battery geometries is essential for many applications, as geometry influences the delivered capacity value. Two geometries, frame and conventional, have been studied and, for a given scan rate of 330C, the square frame shows a capacity value of 305,52 Ahm{sup −2}, which is 527 times higher than the one for the conventional geometry for a constant the area of all components.

  4. Optimization Algorithms for Calculation of the Joint Design Point in Parallel Systems

    DEFF Research Database (Denmark)

    Enevoldsen, I.; Sørensen, John Dalsgaard

    1992-01-01

    In large structures it is often necessary to estimate the reliability of the system by use of parallel systems. Optimality criteria-based algorithms for calculation of the joint design point in a parallel system are described and efficient active set strategies are developed. Three possible...

  5. SU-E-T-270: Optimized Shielding Calculations for Medical Linear Accelerators (LINACs).

    Science.gov (United States)

    Muhammad, W; Lee, S; Hussain, A

    2012-06-01

    The purpose of radiation shielding is to reduce the effective equivalent dose from a medical linear accelerator (LINAC) to a point outside the room to a level determined by individual state/international regulations. The study was performed to design LINAC's room for newly planned radiotherapy centers. Optimized shielding calculations were performed for LINACs having maximum photon energy of 20 MV based on NCRP 151. The maximum permissible dose limits were kept 0.04 mSv/week and 0.002 mSv/week for controlled and uncontrolled areas respectively by following ALARA principle. The planned LINAC's room was compared to the already constructed (non-optimized) LINAC's room to evaluate the shielding costs and the other facilities those are directly related to the room design. In the evaluation process it was noted that the non-optimized room size (i.e., 610 × 610 cm 2 or 20 feet × 20 feet) is not suitable for total body irradiation (TBI) although the machine installed inside was having not only the facility of TBI but the license was acquired. By keeping this point in view, the optimized INAC's room size was kept 762 × 762 cm 2. Although, the area of the optimized rooms was greater than the non-planned room (i.e., 762 × 762 cm 2 instead of 610 × 610 cm 2), the shielding cost for the optimized LINAC's rooms was reduced by 15%. When optimized shielding calculations were re-performed for non-optimized shielding room (i.e., keeping room size, occupancy factors, workload etc. same), it was found that the shielding cost may be lower to 41 %. In conclusion, non- optimized LINAC's room can not only put extra financial burden on the hospital but also can cause of some serious issues related to providing health care facilities for patients. © 2012 American Association of Physicists in Medicine.

  6. Optimization of the neutron calculation model for the RA-6 reactor

    International Nuclear Information System (INIS)

    Coscia, G.A.

    1981-01-01

    A model for the neutronic calculation of the RA-6 reactor which includes the codes ANISN and EQUIPOSE is analyzed. Starting with a brief description of the reactor, the core and its parts, the general scheme of calculation applied is presented. The fuel elements used were those which are utilized in the RA-3 reactor; this is of the MTR type with 90% enriched uranium. With the approximations used, an analysis of such model of calculation was made, trying to optimize it by reducing, if possible, the calculation time without loosing accuracy. In order to improve the calculation model, it is recomended a cross section data library specific for the enrichment of the fuel considered 90% and the incorporation of a more advanced code than EQUIPOISE which would be DIXYBAR. (M.E.L.) [es

  7. Nonlinear optimization method of ship floating condition calculation in wave based on vector

    Science.gov (United States)

    Ding, Ning; Yu, Jian-xing

    2014-08-01

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

  8. First-row diatomics: Calculation of the geometry and energetics using self-consistent gradient-functional approximations

    International Nuclear Information System (INIS)

    Kutzler, F.W.; Painter, G.S.

    1992-01-01

    A fully self-consistent series of nonlocal (gradient) density-functional calculations has been carried out using the augmented-Gaussian-orbital method to determine the magnitude of gradient corrections to the potential-energy curves of the first-row diatomics, Li 2 through F 2 . Both the Langreth-Mehl-Hu and the Perdew-Wang gradient-density functionals were used in calculations of the binding energy, bond length, and vibrational frequency for each dimer. Comparison with results obtained in the local-spin-density approximation (LSDA) using the Vosko-Wilk-Nusair functional, and with experiment, reveals that bond lengths and vibrational frequencies are rather insensitive to details of the gradient functionals, including self-consistency effects, but the gradient corrections reduce the overbinding commonly observed in the LSDA calculations of first-row diatomics (with the exception of Li 2 , the gradient-functional binding-energy error is only 50--12 % of the LSDA error). The improved binding energies result from a large differential energy lowering, which occurs in open-shell atoms relative to the diatomics. The stabilization of the atom arises from the use of nonspherical charge and spin densities in the gradient-functional calculations. This stabilization is negligibly small in LSDA calculations performed with nonspherical densities

  9. Optimization Strategies for Bruch's Membrane Opening Minimum Rim Area Calculation: Sequential versus Simultaneous Minimization.

    Science.gov (United States)

    Enders, Philip; Adler, Werner; Schaub, Friederike; Hermann, Manuel M; Diestelhorst, Michael; Dietlein, Thomas; Cursiefen, Claus; Heindl, Ludwig M

    2017-10-24

    To compare a simultaneously optimized continuous minimum rim surface parameter between Bruch's membrane opening (BMO) and the internal limiting membrane to the standard sequential minimization used for calculating the BMO minimum rim area in spectral domain optical coherence tomography (SD-OCT). In this case-control, cross-sectional study, 704 eyes of 445 participants underwent SD-OCT of the optic nerve head (ONH), visual field testing, and clinical examination. Globally and clock-hour sector-wise optimized BMO-based minimum rim area was calculated independently. Outcome parameters included BMO-globally optimized minimum rim area (BMO-gMRA) and sector-wise optimized BMO-minimum rim area (BMO-MRA). BMO area was 1.89 ± 0.05 mm 2 . Mean global BMO-MRA was 0.97 ± 0.34 mm 2 , mean global BMO-gMRA was 1.01 ± 0.36 mm 2 . Both parameters correlated with r = 0.995 (P < 0.001); mean difference was 0.04 mm 2 (P < 0.001). In all sectors, parameters differed by 3.0-4.2%. In receiver operating characteristics, the calculated area under the curve (AUC) to differentiate glaucoma was 0.873 for BMO-MRA, compared to 0.866 for BMO-gMRA (P = 0.004). Among ONH sectors, the temporal inferior location showed the highest AUC. Optimization strategies to calculate BMO-based minimum rim area led to significantly different results. Imposing an additional adjacency constraint within calculation of BMO-MRA does not improve diagnostic power. Global and temporal inferior BMO-MRA performed best in differentiating glaucoma patients.

  10. Optimal catalyst curves: Connecting density functional theory calculations with industrial reactor design and catalyst selection

    DEFF Research Database (Denmark)

    Jacobsen, C.J.H.; Dahl, Søren; Boisen, A.

    2002-01-01

    For ammonia synthesis catalysts a volcano-type relationship has been found experimentally. We demonstrate that by combining density functional theory calculations with a microkinetic model the position of the maximum of the volcano curve is sensitive to the reaction conditions. The catalytic...... ammonia synthesis activity, to a first approximation, is a function only of the binding energy of nitrogen to the catalyst. Therefore, it is possible to evaluate which nitrogen binding energy is optimal under given reaction conditions. This leads to the concept of optimal catalyst curves, which illustrate...... the nitrogen binding energies of the optimal catalysts at different temperatures, pressures, and synthesis gas compositions. Using this concept together with the ability to prepare catalysts with desired binding energies it is possible to optimize the ammonia process. In this way a link between first...

  11. DIF3D nodal neutronics option for two- and three-dimensional diffusion theory calculations in hexagonal geometry. [LMFBR

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence, R.D.

    1983-03-01

    A nodal method is developed for the solution of the neutron-diffusion equation in two- and three-dimensional hexagonal geometries. The nodal scheme has been incorporated as an option in the finite-difference diffusion-theory code DIF3D, and is intended for use in the analysis of current LMFBR designs. The nodal equations are derived using higher-order polynomial approximations to the spatial dependence of the flux within the hexagonal-z node. The final equations, which are cast in the form of inhomogeneous response-matrix equations for each energy group, involved spatial moments of the node-interior flux distribution plus surface-averaged partial currents across the faces of the node. These equations are solved using a conventional fission-source iteration accelerated by coarse-mesh rebalance and asymptotic source extrapolation. This report describes the mathematical development and numerical solution of the nodal equations, as well as the use of the nodal option and details concerning its programming structure. This latter information is intended to supplement the information provided in the separate documentation of the DIF3D code.

  12. DIF3D nodal neutronics option for two- and three-dimensional diffusion theory calculations in hexagonal geometry

    International Nuclear Information System (INIS)

    Lawrence, R.D.

    1983-03-01

    A nodal method is developed for the solution of the neutron-diffusion equation in two- and three-dimensional hexagonal geometries. The nodal scheme has been incorporated as an option in the finite-difference diffusion-theory code DIF3D, and is intended for use in the analysis of current LMFBR designs. The nodal equations are derived using higher-order polynomial approximations to the spatial dependence of the flux within the hexagonal-z node. The final equations, which are cast in the form of inhomogeneous response-matrix equations for each energy group, involved spatial moments of the node-interior flux distribution plus surface-averaged partial currents across the faces of the node. These equations are solved using a conventional fission-source iteration accelerated by coarse-mesh rebalance and asymptotic source extrapolation. This report describes the mathematical development and numerical solution of the nodal equations, as well as the use of the nodal option and details concerning its programming structure. This latter information is intended to supplement the information provided in the separate documentation of the DIF3D code

  13. Tokamak m = 1 magnetohydrodynamic calculations in toroidal geometry using a full set of nonlinear resistive magnetohydrodynamic equations

    International Nuclear Information System (INIS)

    Charlton, L.A.; Carreras, B.A.; Holmes, J.A.; Lynch, V.E.

    1988-01-01

    The linear stability and nonlinear evolution of the resistive m = 1 mode in tokamaks is studied using a full set of resistive magnetohydrodynamic (MHD) equations in toroidal geometry. The modification of the linear and nonlinear properties of the mode by a combination of strong toroidal effects and low resistivity is the focus of this work. Linearly there is a transition from resistive kink to resistive tearing behavior as the aspect ratio and resistivity are reduced, and there is a corresponding modification of the nonlinear behavior, including a slowing of the island growth and development of a Rutherford regime, as the tearing regime is approached. In order to study the sensitivity of the stability and evolution to assumptions concerning the equation of state, two sets of full nonlinear resistive MHD equations (a pressure convection set and an incompressible set) are used. Both sets give more stable nonlinear behavior as the aspect ratio is reduced. The pressure convection set shows a transition from a Kadomtsev reconnection at large aspect ratio to a saturation at small aspect ratio. The incompressible set yields Kadomtsev reconnection for all aspect ratios, but with a significant lengthening of the reconnection time and development of a Rutherford regime at an aspect ratio approaching the transition from a resistive kink mode to a tearing mode. The pressure convection set gives an incomplete reconnection similar to that sometimes seen experimentally. The pressure convection set is, however, strictly justified only at high beta

  14. CALCULATION METHODS OF OPTIMAL ADJUSTMENT OF CONTROL SYSTEM THROUGH DISTURBANCE CHANNEL

    Directory of Open Access Journals (Sweden)

    I. M. Golinko

    2014-01-01

    Full Text Available In the process of automatic control system debugging the great attention is paid to determining formulas’ parameters of optimal dynamic adjustment of regulators, taking into account the dynamics of Objects control. In most cases the known formulas are oriented on design of automatic control system through channel “input-output definition”. But practically in all continuous processes the main task of all regulators is stabilization of output parameters. The Methods of parameters calculation for dynamic adjustment of regulations were developed. These methods allow to optimize the analog and digital regulators, taking into account minimization of regulated influences. There were suggested to use the fact of detuning and maximum value of regulated influence. As the automatic control system optimization with proportional plus reset controllers on disturbance channel is an unimodal task, the main algorithm of optimization is realized by Hooke – Jeeves method. For controllers optimization through channel external disturbance there were obtained functional dependences of parameters calculations of dynamic proportional plus reset controllers from dynamic characteristics of Object control. The obtained dependences allow to improve the work of controllers (regulators of automatic control on external disturbance channel and so it allows to improve the quality of regulation of transient processes. Calculation formulas provide high accuracy and convenience in usage. In suggested method there are no nomographs and this fact expels subjectivity of investigation in determination of parameters of dynamic adjustment of proportional plus reset controllers. Functional dependences can be used for calculation of adjustment of PR controllers in a great range of change of dynamic characteristics of Objects control.

  15. Optimization in radiotherapy treatment planning thanks to a fast dose calculation method

    International Nuclear Information System (INIS)

    Yang, Mingchao

    2014-01-01

    This thesis deals with the radiotherapy treatments planning issue which need a fast and reliable treatment planning system (TPS). The TPS is composed of a dose calculation algorithm and an optimization method. The objective is to design a plan to deliver the dose to the tumor while preserving the surrounding healthy and sensitive tissues. The treatment planning aims to determine the best suited radiation parameters for each patient's treatment. In this thesis, the parameters of treatment with IMRT (Intensity modulated radiation therapy) are the beam angle and the beam intensity. The objective function is multi-criteria with linear constraints. The main objective of this thesis is to demonstrate the feasibility of a treatment planning optimization method based on a fast dose-calculation technique developed by (Blanpain, 2009). This technique proposes to compute the dose by segmenting the patient's phantom into homogeneous meshes. The dose computation is divided into two steps. The first step impacts the meshes: projections and weights are set according to physical and geometrical criteria. The second step impacts the voxels: the dose is computed by evaluating the functions previously associated to their mesh. A reformulation of this technique makes possible to solve the optimization problem by the gradient descent algorithm. The main advantage of this method is that the beam angle parameters could be optimized continuously in 3 dimensions. The obtained results in this thesis offer many opportunities in the field of radiotherapy treatment planning optimization. (author) [fr

  16. Optimization of the Spent Fuel Attribute Tester using radiation transport calculations

    International Nuclear Information System (INIS)

    Laub, T.W.; Dupree, S.A.; Arlt, R.

    1993-01-01

    The International Atomic Energy Agency uses the Spent Fuel Attribute Tester (SFAT) to measure gamma signatures from fuel assemblies stored in spent fuel pools. It consists of a shielded, collimated NaI(Tl) detector attached to an air-filled pipe. The purpose of the present study was to define design changes, within operational constraints, that would improve the target assembly 137 Cs signal relative to the background signals from adjacent assemblies. This improvement is essential to reducing to an acceptable level the measurement time during an inspection. Monte Carlo calculations of the entire geometry were impractical, therefore, a hybrid method was developed that combined one-dimensional discrete ordinates models of the spent fuel pool, three-dimensional Monte Carlo calculations of the SFAT, and detector response calculations. The method compared well with measurements taken with the existing baseline SFAT. Calculations predicted significant improvements in signal-to-noise ratio. Recommended changes included shortening the pipe and increasing its wall thickness, placing low-Z filters in the crystal line of sight, reducing the thickness of shielding around the collimator aperture and adding shielding around the crystal, and reducing the diameter of the crystal. An instrument incorporating these design changes is being fabricated in Finland and will be tested this year

  17. Optimized iteration in coupled Monte-Carlo - Thermal-hydraulics calculations

    International Nuclear Information System (INIS)

    Hoogenboom, J.E.; Dufek, J.

    2013-01-01

    This paper describes an optimised iteration scheme for the number of neutron histories and the relaxation factor in successive iterations of coupled Monte Carlo and thermal-hydraulic reactor calculations based on the stochastic iteration method. The scheme results in an increasing number of neutron histories for the Monte Carlo calculation in successive iteration steps and a decreasing relaxation factor for the spatial power distribution to be used as input to the thermal-hydraulics calculation. The theoretical basis is discussed in detail and practical consequences of the scheme are shown, among which a nearly linear increase per iteration of the number of cycles in the Monte Carlo calculation. The scheme is demonstrated for a full PWR type fuel assembly. Results are shown for the axial power distribution during several iteration steps. A few alternative iteration methods are also tested and it is concluded that the presented iteration method is near optimal. (authors)

  18. Two-dimensional core calculation research for fuel management optimization based on CPACT code

    International Nuclear Information System (INIS)

    Chen Xiaosong; Peng Lianghui; Gang Zhi

    2013-01-01

    Fuel management optimization process requires rapid assessment for the core layout program, and the commonly used methods include two-dimensional diffusion nodal method, perturbation method, neural network method and etc. A two-dimensional loading patterns evaluation code was developed based on the three-dimensional LWR diffusion calculation program CPACT. Axial buckling introduced to simulate the axial leakage was searched in sub-burnup sections to correct the two-dimensional core diffusion calculation results. Meanwhile, in order to get better accuracy, the weight equivalent volume method of the control rod assembly cross-section was improved. (authors)

  19. Stepwise optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    International Nuclear Information System (INIS)

    Frolov, A.M.

    1986-01-01

    The problem of exact variational calculations of few-particle systems in the exponential basis of the relative coordinates using nonlinear parameters is studied. The techniques of stepwise optimization and global chaos of nonlinear parameters are used to calculate the S and P states of homonuclear muonic molecules with an error of no more than +0.001 eV. The global-chaos technique also has proved to be successful in the case of the nuclear systems 3 H and 3 He

  20. Using Neural Networks to Improve the Performance of Radiative Transfer Modeling Used for Geometry Dependent LER Calculations

    Science.gov (United States)

    Fasnacht, Z.; Qin, W.; Haffner, D. P.; Loyola, D. G.; Joiner, J.; Krotkov, N. A.; Vasilkov, A. P.; Spurr, R. J. D.

    2017-12-01

    In order to estimate surface reflectance used in trace gas retrieval algorithms, radiative transfer models (RTM) such as the Vector Linearized Discrete Ordinate Radiative Transfer Model (VLIDORT) can be used to simulate the top of the atmosphere (TOA) radiances with advanced models of surface properties. With large volumes of satellite data, these model simulations can become computationally expensive. Look up table interpolation can improve the computational cost of the calculations, but the non-linear nature of the radiances requires a dense node structure if interpolation errors are to be minimized. In order to reduce our computational effort and improve the performance of look-up tables, neural networks can be trained to predict these radiances. We investigate the impact of using look-up table interpolation versus a neural network trained using the smart sampling technique, and show that neural networks can speed up calculations and reduce errors while using significantly less memory and RTM calls. In future work we will implement a neural network in operational processing to meet growing demands for reflectance modeling in support of high spatial resolution satellite missions.

  1. Determining the optimal load for jump squats: a review of methods and calculations.

    Science.gov (United States)

    Dugan, Eric L; Doyle, Tim L A; Humphries, Brendan; Hasson, Christopher J; Newton, Robert U

    2004-08-01

    There has been an increasing volume of research focused on the load that elicits maximum power output during jump squats. Because of a lack of standardization for data collection and analysis protocols, results of much of this research are contradictory. The purpose of this paper is to examine why differing methods of data collection and analysis can lead to conflicting results for maximum power and associated optimal load. Six topics relevant to measurement and reporting of maximum power and optimal load are addressed: (a) data collection equipment, (b) inclusion or exclusion of body weight force in calculations of power, (c) free weight versus Smith machine jump squats, (d) reporting of average versus peak power, (e) reporting of load intensity, and (f) instructions given to athletes/ participants. Based on this information, a standardized protocol for data collection and reporting of jump squat power and optimal load is presented.

  2. An algorithm for the calculation of 3-D ICRF [Ion Cyclotron Range of Frequencies] fields in tokamak geometry

    International Nuclear Information System (INIS)

    Smithe, D.N.; Colestock, P.L.; Kashuba, R.J.; Kammash, T.

    1987-04-01

    A computational scheme is developed which permits tractable calculation of three-dimensional full-wave solutions to the Maxwell-Vlasov equations under typical Ion Cyclotron Range of Frequencies (ICRF) experimental conditions. The method is unique in that power deposition to the plasma is determined via the anti-Hermitian part of a truncated warm-plasma dielectric operator, rather than as the result of an assumed phenomenological collision frequency. The resulting computer code allows arbitrary variation of density, temperature, magnetic field, and minority concentration in the poloidal plane by performing a convolution of poloidal modes to produce a coupled system of differential equations in the radial variable. By assuming no inhomogeneity along the toroidal axis, an inverse transform over k/sub parallel/ is performed to yield the full three-dimensional field solutions. The application of the code to TFTR-like plasmas shows a mild resonance structure in antenna loading related to the changing number of wavelengths between antenna and the resonance layer. 48 figs

  3. Riemannian geometry

    CERN Document Server

    Petersen, Peter

    2016-01-01

    Intended for a one year course, this text serves as a single source, introducing readers to the important techniques and theorems, while also containing enough background on advanced topics to appeal to those students wishing to specialize in Riemannian geometry. This is one of the few Works to combine both the geometric parts of Riemannian geometry and the analytic aspects of the theory. The book will appeal to a readership that have a basic knowledge of standard manifold theory, including tensors, forms, and Lie groups. Important revisions to the third edition include: a substantial addition of unique and enriching exercises scattered throughout the text; inclusion of an increased number of coordinate calculations of connection and curvature; addition of general formulas for curvature on Lie Groups and submersions; integration of variational calculus into the text allowing for an early treatment of the Sphere theorem using a proof by Berger; incorporation of several recent results about manifolds with posit...

  4. Modeling the TrueBeam linac using a CAD to Geant4 geometry implementation: Dose and IAEA-compliant phase space calculations

    International Nuclear Information System (INIS)

    Constantin, Magdalena; Perl, Joseph; LoSasso, Tom; Salop, Arthur; Whittum, David; Narula, Anisha; Svatos, Michelle; Keall, Paul J.

    2011-01-01

    Purpose: To create an accurate 6 MV Monte Carlo simulation phase space for the Varian TrueBeam treatment head geometry imported from cad (computer aided design) without adjusting the input electron phase space parameters. Methods: geant4 v4.9.2.p01 was employed to simulate the 6 MV beam treatment head geometry of the Varian TrueBeam linac. The electron tracks in the linear accelerator were simulated with Parmela, and the obtained electron phase space was used as an input to the Monte Carlo beam transport and dose calculations. The geometry components are tessellated solids included in geant4 as gdml (generalized dynamic markup language) files obtained via STEP (standard for the exchange of product) export from Pro/Engineering, followed by STEP import in Fastrad, a STEP-gdml converter. The linac has a compact treatment head and the small space between the shielding collimator and the divergent arc of the upper jaws forbids the implementation of a plane for storing the phase space. Instead, an IAEA (International Atomic Energy Agency) compliant phase space writer was implemented on a cylindrical surface. The simulation was run in parallel on a 1200 node Linux cluster. The 6 MV dose calculations were performed for field sizes varying from 4 x 4 to 40 x 40 cm 2 . The voxel size for the 60x60x40 cm 3 water phantom was 4x4x4 mm 3 . For the 10x10 cm 2 field, surface buildup calculations were performed using 4x4x2 mm 3 voxels within 20 mm of the surface. Results: For the depth dose curves, 98% of the calculated data points agree within 2% with the experimental measurements for depths between 2 and 40 cm. For depths between 5 and 30 cm, agreement within 1% is obtained for 99% (4x4), 95% (10x10), 94% (20x20 and 30x30), and 89% (40x40) of the data points, respectively. In the buildup region, the agreement is within 2%, except at 1 mm depth where the deviation is 5% for the 10x10 cm 2 open field. For the lateral dose profiles, within the field size for fields up to 30x30 cm 2

  5. Modeling the TrueBeam linac using a CAD to Geant4 geometry implementation: Dose and IAEA-compliant phase space calculations

    Energy Technology Data Exchange (ETDEWEB)

    Constantin, Magdalena; Perl, Joseph; LoSasso, Tom; Salop, Arthur; Whittum, David; Narula, Anisha; Svatos, Michelle; Keall, Paul J. [Department of Radiation Oncology, Radiation Physics Division, Stanford University, Stanford, California 94304 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Memorial Sloan-Kettering Cancer Center, New York 10021 (United States); Varian Medical Systems, Inc., Palo Alto, California 94304 (United States); Department of Radiation Oncology, Radiation Physics Division, Stanford University, Stanford, California 94304 (United States)

    2011-07-15

    Purpose: To create an accurate 6 MV Monte Carlo simulation phase space for the Varian TrueBeam treatment head geometry imported from cad (computer aided design) without adjusting the input electron phase space parameters. Methods: geant4 v4.9.2.p01 was employed to simulate the 6 MV beam treatment head geometry of the Varian TrueBeam linac. The electron tracks in the linear accelerator were simulated with Parmela, and the obtained electron phase space was used as an input to the Monte Carlo beam transport and dose calculations. The geometry components are tessellated solids included in geant4 as gdml (generalized dynamic markup language) files obtained via STEP (standard for the exchange of product) export from Pro/Engineering, followed by STEP import in Fastrad, a STEP-gdml converter. The linac has a compact treatment head and the small space between the shielding collimator and the divergent arc of the upper jaws forbids the implementation of a plane for storing the phase space. Instead, an IAEA (International Atomic Energy Agency) compliant phase space writer was implemented on a cylindrical surface. The simulation was run in parallel on a 1200 node Linux cluster. The 6 MV dose calculations were performed for field sizes varying from 4 x 4 to 40 x 40 cm{sup 2}. The voxel size for the 60x60x40 cm{sup 3} water phantom was 4x4x4 mm{sup 3}. For the 10x10 cm{sup 2} field, surface buildup calculations were performed using 4x4x2 mm{sup 3} voxels within 20 mm of the surface. Results: For the depth dose curves, 98% of the calculated data points agree within 2% with the experimental measurements for depths between 2 and 40 cm. For depths between 5 and 30 cm, agreement within 1% is obtained for 99% (4x4), 95% (10x10), 94% (20x20 and 30x30), and 89% (40x40) of the data points, respectively. In the buildup region, the agreement is within 2%, except at 1 mm depth where the deviation is 5% for the 10x10 cm{sup 2} open field. For the lateral dose profiles, within the field size

  6. Symplectic approach to calculation of magnetic field line trajectories in physical space with realistic magnetic geometry in divertor tokamaks

    Science.gov (United States)

    Punjabi, Alkesh; Ali, Halima

    2008-12-01

    A new approach to integration of magnetic field lines in divertor tokamaks is proposed. In this approach, an analytic equilibrium generating function (EGF) is constructed in natural canonical coordinates (ψ,θ) from experimental data from a Grad-Shafranov equilibrium solver for a tokamak. ψ is the toroidal magnetic flux and θ is the poloidal angle. Natural canonical coordinates (ψ,θ,φ) can be transformed to physical position (R,Z,φ) using a canonical transformation. (R,Z,φ) are cylindrical coordinates. Another canonical transformation is used to construct a symplectic map for integration of magnetic field lines. Trajectories of field lines calculated from this symplectic map in natural canonical coordinates can be transformed to trajectories in real physical space. Unlike in magnetic coordinates [O. Kerwin, A. Punjabi, and H. Ali, Phys. Plasmas 15, 072504 (2008)], the symplectic map in natural canonical coordinates can integrate trajectories across the separatrix surface, and at the same time, give trajectories in physical space. Unlike symplectic maps in physical coordinates (x,y) or (R,Z), the continuous analog of a symplectic map in natural canonical coordinates does not distort trajectories in toroidal planes intervening the discrete map. This approach is applied to the DIII-D tokamak [J. L. Luxon and L. E. Davis, Fusion Technol. 8, 441 (1985)]. The EGF for the DIII-D gives quite an accurate representation of equilibrium magnetic surfaces close to the separatrix surface. This new approach is applied to demonstrate the sensitivity of stochastic broadening using a set of perturbations that generically approximate the size of the field errors and statistical topological noise expected in a poloidally diverted tokamak. Plans for future application of this approach are discussed.

  7. 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.

  8. Symplectic approach to calculation of magnetic field line trajectories in physical space with realistic magnetic geometry in divertor tokamaks

    International Nuclear Information System (INIS)

    Punjabi, Alkesh; Ali, Halima

    2008-01-01

    A new approach to integration of magnetic field lines in divertor tokamaks is proposed. In this approach, an analytic equilibrium generating function (EGF) is constructed in natural canonical coordinates (ψ,θ) from experimental data from a Grad-Shafranov equilibrium solver for a tokamak. ψ is the toroidal magnetic flux and θ is the poloidal angle. Natural canonical coordinates (ψ,θ,φ) can be transformed to physical position (R,Z,φ) using a canonical transformation. (R,Z,φ) are cylindrical coordinates. Another canonical transformation is used to construct a symplectic map for integration of magnetic field lines. Trajectories of field lines calculated from this symplectic map in natural canonical coordinates can be transformed to trajectories in real physical space. Unlike in magnetic coordinates [O. Kerwin, A. Punjabi, and H. Ali, Phys. Plasmas 15, 072504 (2008)], the symplectic map in natural canonical coordinates can integrate trajectories across the separatrix surface, and at the same time, give trajectories in physical space. Unlike symplectic maps in physical coordinates (x,y) or (R,Z), the continuous analog of a symplectic map in natural canonical coordinates does not distort trajectories in toroidal planes intervening the discrete map. This approach is applied to the DIII-D tokamak [J. L. Luxon and L. E. Davis, Fusion Technol. 8, 441 (1985)]. The EGF for the DIII-D gives quite an accurate representation of equilibrium magnetic surfaces close to the separatrix surface. This new approach is applied to demonstrate the sensitivity of stochastic broadening using a set of perturbations that generically approximate the size of the field errors and statistical topological noise expected in a poloidally diverted tokamak. Plans for future application of this approach are discussed.

  9. The calculation of dose from external photon exposures using reference human phantoms and Monte Carlo methods. Pt. 7. Organ doses due to parallel and environmental exposure geometries

    Energy Technology Data Exchange (ETDEWEB)

    Zankl, M. [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Inst. fuer Strahlenschutz; Drexler, G. [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Inst. fuer Strahlenschutz; Petoussi-Henss, N. [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Inst. fuer Strahlenschutz; Saito, K. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan)

    1997-03-01

    This report presents a tabulation of organ and tissue equivalent dose as well as effective dose conversion coefficients, normalised to air kerma free in air, for occupational exposures and environmental exposures of the public to external photon radiation. For occupational exposures, whole-body irradiation with idealised geometries, i.e. broad parallel beams and fully isotropic radiation incidence, is considered. The directions of incidence for the parallel beams are anterior-posterior, posterior-anterior, left lateral, right lateral and a full 360 rotation around the body`s longitudinal axis. The influence of beam divergence on the body doses is also considered as well as the dependence of effective dose on the angle of radiation incidence. Regarding exposure of the public to environmental sources, three source geometries are considered: exposure from a radioactive cloud, from ground contamination and from the natural radionuclides distributed homogeneously in the ground. The precise angular and energy distributions of the gamma rays incident on the human body were taken into account. The organ dose conversion coefficients given in this catalogue were calculated using a Monte Carlo code simulating the photon transport in mathematical models of an adult male and an adult female, respectively. Conversion coefficients are given for the equivalent dose of 23 organs and tissues as well as for effective dose and the equivalent dose of the so-called `remainder`. The organ equivalent dose conversion coefficients are given separately for the adult male and female models and - as arithmetic mean of the conversion coefficients of both - for an average adult. Fitted data of the coefficients are presented in tables; the primary raw data as resulting from the Monte Carlo calculation are shown in figures together with the fitted data. (orig.)

  10. The calculation of dose from external photon exposures using reference human phantoms and Monte Carlo methods. Pt. 7. Organ doses due to parallel and environmental exposure geometries

    International Nuclear Information System (INIS)

    Zankl, M.

    1997-03-01

    This report presents a tabulation of organ and tissue equivalent dose as well as effective dose conversion coefficients, normalised to air kerma free in air, for occupational exposures and environmental exposures of the public to external photon radiation. For occupational exposures, whole-body irradiation with idealised geometries, i.e. broad parallel beams and fully isotropic radiation incidence, is considered. The directions of incidence for the parallel beams are anterior-posterior, posterior-anterior, left lateral, right lateral and a full 360 rotation around the body's longitudinal axis. The influence of beam divergence on the body doses is also considered as well as the dependence of effective dose on the angle of radiation incidence. Regarding exposure of the public to environmental sources, three source geometries are considered: exposure from a radioactive cloud, from ground contamination and from the natural radionuclides distributed homogeneously in the ground. The precise angular and energy distributions of the gamma rays incident on the human body were taken into account. The organ dose conversion coefficients given in this catalogue were calculated using a Monte Carlo code simulating the photon transport in mathematical models of an adult male and an adult female, respectively. Conversion coefficients are given for the equivalent dose of 23 organs and tissues as well as for effective dose and the equivalent dose of the so-called 'remainder'. The organ equivalent dose conversion coefficients are given separately for the adult male and female models and - as arithmetic mean of the conversion coefficients of both - for an average adult. Fitted data of the coefficients are presented in tables; the primary raw data as resulting from the Monte Carlo calculation are shown in figures together with the fitted data. (orig.)

  11. Results of strategic calculations for optimizing the first wall life in a tokamak fusion reactor

    International Nuclear Information System (INIS)

    Daenner, W.

    1981-01-01

    The development of the FWLTB computer program has reached a stage where prediction of the first wall lifetime is possible. Because of the large number of free parameters strategic calculations were found to be the most appropriate way to arrive at load design conditions which allow optimum life expectancy. In this paper a revised set of life criteria is presented this being followed by the results of parameter studies in which single parameters were varied while the remaining ones were kept fixed at a reference value. These results are used as a guide during the subsequent strategic calculations. In a first strategy we aimed at finding the maximum lifetime for the case that the reactor is operated at a neutron wall loading of 10 MW/m 2 . We found that operation over a period of more than one year is possible if the first wall is designed in a very tiny geometry and cooled by a low-pressure coolant. In a second strategy the aim was to find the design conditions for the case that the first wall is cooled by a high-pressure coolant. It is shown that liquid-lithium cooling is manageable up to high wall loadings, but the lifetime is restricted to about 6 MWa/m 2 . Helium cooling allows a higher lifetime, but the design conditions are such that only modest wall loadings can be permitted. (orig.)

  12. Optimizing a neutron-beam focusing device for the direct geometry time-of-flight spectrometer TOFTOF at the FRM II reactor source

    DEFF Research Database (Denmark)

    Rasmussen, N. G.; Simeoni, G. G.; Lefmann, K.

    2016-01-01

    A dedicated beam-focusing device has been designed for the direct geometry thermal-cold neutron time-of-flight spectrometer TOFTOF at the neutron facility FRM II (Garching, Germany). The prototype, based on the compressed Archimedes' mirror concept, benefits from the adaptive-optics technology (a...... than 3.5 would have only marginal influence on the optimal behaviour, whereas comparable spectrometers could take advantage of longer focusing segments, with particular impact for the thermal region of the neutron spectrum....

  13. Optimization of extracranial stereotactic radiation therapy of small lung lesions using accurate dose calculation algorithms

    International Nuclear Information System (INIS)

    Dobler, Barbara; Walter, Cornelia; Knopf, Antje; Fabri, Daniella; Loeschel, Rainer; Polednik, Martin; Schneider, Frank; Wenz, Frederik; Lohr, Frank

    2006-01-01

    The aim of this study was to compare and to validate different dose calculation algorithms for the use in radiation therapy of small lung lesions and to optimize the treatment planning using accurate dose calculation algorithms. A 9-field conformal treatment plan was generated on an inhomogeneous phantom with lung mimics and a soft tissue equivalent insert, mimicking a lung tumor. The dose distribution was calculated with the Pencil Beam and Collapsed Cone algorithms implemented in Masterplan (Nucletron) and the Monte Carlo system XVMC and validated using Gafchromic EBT films. Differences in dose distribution were evaluated. The plans were then optimized by adding segments to the outer shell of the target in order to increase the dose near the interface to the lung. The Pencil Beam algorithm overestimated the dose by up to 15% compared to the measurements. Collapsed Cone and Monte Carlo predicted the dose more accurately with a maximum difference of -8% and -3% respectively compared to the film. Plan optimization by adding small segments to the peripheral parts of the target, creating a 2-step fluence modulation, allowed to increase target coverage and homogeneity as compared to the uncorrected 9 field plan. The use of forward 2-step fluence modulation in radiotherapy of small lung lesions allows the improvement of tumor coverage and dose homogeneity as compared to non-modulated treatment plans and may thus help to increase the local tumor control probability. While the Collapsed Cone algorithm is closer to measurements than the Pencil Beam algorithm, both algorithms are limited at tissue/lung interfaces, leaving Monte-Carlo the most accurate algorithm for dose prediction

  14. Automation of POST Cases via External Optimizer and "Artificial p2" Calculation

    Science.gov (United States)

    Dees, Patrick D.; Zwack, Mathew R.

    2017-01-01

    optimizer functions like any other gradient-based optimizer. It has a specified variable to optimize whose value is represented as optval, a set of dependent constraints to meet with associated forms and tolerances whose value is represented as p2, and a set of independent variables known as the u-vector to modify in pursuit of optimality. Each of these quantities are calculated or manipulated at a certain phase within the trajectory. The optimizer is further constrained by the requirement that the input u-vector must result in a trajectory which proceeds through each of the prescribed events in the input file. For example, if the input u-vector causes the vehicle to crash before it can achieve the orbital parameters required for a parking orbit, then the run will fail without engaging the optimizer, and a p2 value of exactly zero is returned. This poses a problem, as this "non-connecting" region of the u-vector space is far larger than the "connecting" region which returns a non-zero value of p2 and can be worked on by the internal optimizer. Finding this connecting region and more specifically the global optimum within this region has traditionally required the use of an expert analyst.

  15. Optimizing porphyrins for dye sensitized solar cells using large-scale ab initio calculations

    DEFF Research Database (Denmark)

    Ørnsø, Kristian Baruël; Pedersen, Christian S.; García Lastra, Juan Maria

    2014-01-01

    different side and anchoring groups. Based on the calculated frontier orbital energies and optical gaps we quantify the energy level alignment with the TiO2 conduction band and different redox mediators. An analysis of the energy level-structure relationship reveals a significant structural diversity among...... the dyes with the highest level alignment quality, demonstrating the large degree of flexibility in porphyrin dye design. As a specific example of dye optimization, we show that the level alignment of the high efficiency record dye YD2-o-C8 [Yella et al., Science, 2011, 334, 629-634] can be significantly...

  16. Dynamical optimization techniques for the calculation of electronic structure in solids

    International Nuclear Information System (INIS)

    Benedek, R.; Min, B.I.; Garner, J.

    1989-01-01

    The method of dynamical simulated annealing, recently introduced by Car and Parrinello, provides a new tool for electronic structure computation as well as for molecular dynamics simulation. In this paper, we explore an optimization technique that is complementary to dynamical simulated annealing, the method of steepest descents (SD). As an illustration, SD is applied to calculate the total energy of diamond-Si, a system previously treated by Car and Parrinello. The adaptation of SD to treat metallic systems is discussed and a numerical application is presented. (author) 18 refs., 3 figs

  17. Calculation and optimization of focusing electrostatic field for experiment on measurement of free neutron lifetime

    International Nuclear Information System (INIS)

    Chernyshov, V.S.; Kalebin, S.M.; Ivanov, R.N.; Pershukov, A.P.; Artamonov, V.S.

    1989-01-01

    Optimal sizes of the proton detector focusing system used in the experiment on determination of life-time of a free neutron are calculated. Angles of proton incidence on the plane of the detector window don't exceed 27 deg. Distances which protons fly along the neutron beam axis before they appear in the detector is less 4.3 cm. Analysis of proton trajectories an investigation of focusing system stability during transverse oscillations of a neutron beam permits to choose necessary width of the proton counter window by means of which all protons run to recording volume. 10 refs.; 8 figs

  18. A simple method of calculating Stirling engines for engine design optimization

    Science.gov (United States)

    Martini, W. R.

    1978-01-01

    A calculation method is presented for a rhombic drive Stirling engine with a tubular heater and cooler and a screen type regenerator. Generally the equations presented describe power generation and consumption and heat losses. It is the simplest type of analysis that takes into account the conflicting requirements inherent in Stirling engine design. The method itemizes the power and heat losses for intelligent engine optimization. The results of engine analysis of the GPU-3 Stirling engine are compared with more complicated engine analysis and with engine measurements.

  19. Treatment planning for heavy ion radiotherapy: calculation and optimization of biologically effective dose

    International Nuclear Information System (INIS)

    Kraemer, M.; Scholz, M.

    2000-09-01

    We describe a novel approach to treatment planning for heavy ion radiotherapy based on the local effect model (LEM) which allows to calculate the biologically effective dose not only for the target region but for the entire irradiation volume. LEM is ideally suited to be used as an integral part of treatment planning code systems for active dose shaping devices like the GSI raster scan system. Thus, it has been incorporated into our standard treatment planning system for ion therapy (TRiP). Single intensity modulated fields can be optimized with respect to homogeneous biologically effective dose. The relative biological effectiveness (RBE) is calculated separately for each voxel of the patient CT. Our radiobiologically oriented code system is in use since 1995 for the planning of irradiation experiments with cell cultures and animals such as rats and minipigs. Since 1997 it is in regular and successful use for patient treatment planning. (orig.)

  20. 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)

  1. Steady-state configuration and tension calculations of marine cables under complex currents via separated particle swarm optimization

    Science.gov (United States)

    Xu, Xue-song

    2014-12-01

    Under complex currents, the motion governing equations of marine cables are complex and nonlinear, and the calculations of cable configuration and tension become difficult compared with those under the uniform or simple currents. To obtain the numerical results, the usual Newton-Raphson iteration is often adopted, but its stability depends on the initial guessed solution to the governing equations. To improve the stability of numerical calculation, this paper proposed separated the particle swarm optimization, in which the variables are separated into several groups, and the dimension of search space is reduced to facilitate the particle swarm optimization. Via the separated particle swarm optimization, these governing nonlinear equations can be solved successfully with any initial solution, and the process of numerical calculation is very stable. For the calculations of cable configuration and tension of marine cables under complex currents, the proposed separated swarm particle optimization is more effective than the other particle swarm optimizations.

  2. Study on the Optimal Equivalent Radius in Calculating the Heat Dissipation of Surrounding Rock

    Directory of Open Access Journals (Sweden)

    H. T. Song

    2015-11-01

    Full Text Available The heat dissipation of surrounding rock of a non-circular roadway is computed using an equivalent circular roadway approach under three circumstances when the area, perimeter, or hydraulic diameter of the circular roadway is equal to the non-circular roadway to obtain the optimal equivalent radius. The differential equations of heat conduction for unstable surrounding rock are established in cylindrical and rectangular coordinate systems using dimensionless analysis method. The calculation formulas of heat dissipation capacity and heat transfer resistance are derived from differential equations. Based on the method of equivalent radius, the similarities and differences between non-circular and circular roadways in calculating the heat dissipation of surrounding rock are discussed. Using the finite volume method, the calculation models for non-circular and circular roadways in the heat dissipation of surrounding rock are also established, among the non-circular roadways including three circumstances, namely, trapezoid, rectangle, and arch. The relation errors of heat dissipation of the surrounding rock of the three equivalent circular roadway methods are investigated for the three non-circular roadways. Results show that the calculation approach with equal perimeters is the best for the heat dissipation of surrounding rock of non-circular roadways.

  3. ``Phantom'' Modes in Ab Initio Tunneling Calculations: Implications for Theoretical Materials Optimization, Tunneling, and Transport

    Science.gov (United States)

    Barabash, Sergey V.; Pramanik, Dipankar

    2015-03-01

    Development of low-leakage dielectrics for semiconductor industry, together with many other areas of academic and industrial research, increasingly rely upon ab initio tunneling and transport calculations. Complex band structure (CBS) is a powerful formalism to establish the nature of tunneling modes, providing both a deeper understanding and a guided optimization of materials, with practical applications ranging from screening candidate dielectrics for lowest ``ultimate leakage'' to identifying charge-neutrality levels and Fermi level pinning. We demonstrate that CBS is prone to a particular type of spurious ``phantom'' solution, previously deemed true but irrelevant because of a very fast decay. We demonstrate that (i) in complex materials, phantom modes may exhibit very slow decay (appearing as leading tunneling terms implying qualitative and huge quantitative errors), (ii) the phantom modes are spurious, (iii) unlike the pseudopotential ``ghost'' states, phantoms are an apparently unavoidable artifact of large numerical basis sets, (iv) a presumed increase in computational accuracy increases the number of phantoms, effectively corrupting the CBS results despite the higher accuracy achieved in resolving the true CBS modes and the real band structure, and (v) the phantom modes cannot be easily separated from the true CBS modes. We discuss implications for direct transport calculations. The strategy for dealing with the phantom states is discussed in the context of optimizing high-quality high- κ dielectric materials for decreased tunneling leakage.

  4. Contribution to the calculation of the alpha value in the study of optimization on radiological protection

    International Nuclear Information System (INIS)

    Perez, Clarice de Freitas Acosta

    2007-01-01

    The Alpha value is an extremely important criterion because it determines the time that each country takes to reach its proposals to decrease the doses to workers involved with ionizing radiation sources. Presently, countries adopt a single value for alpha based in the annual gross national product, GNP, per capita. The aim of this paper is to show that it should be more efficient the selection of a curve for alpha in place of a single value. This curve, in its turn, should allow an alpha value that would be constraint to the greatest individual doses present in each optimization process, applied to design and operation. These maximum individual doses should represent the dose distribution between the workers team. To build the curve, alpha values suggested will not be based on the GNP per capita but on a distribution function of the maximum individual doses and on the time necessary to reach the goal of 1/10 of the annual dose limit, that is, to reach the region where the individual doses are considered acceptable. This new alpha value approach solves several problems risen by the present methodology, among which we emphasize: a) It can be accomplished only one optimization for each radiological protection option set; b) each country may have different constraints limits that can create serious problems in the international interchange; c) it avoids the possibility to calculate the probable death rate due to the collective dose. This type of calculation is undesirable to international organization. (author)

  5. Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

    Energy Technology Data Exchange (ETDEWEB)

    Sorella, S., E-mail: sorella@sissa.it [International School for Advanced Studies (SISSA), Via Beirut 2-4, 34014 Trieste, Italy and INFM Democritos National Simulation Center, Trieste (Italy); Devaux, N.; Dagrada, M., E-mail: mario.dagrada@impmc.upmc.fr [Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France); Mazzola, G., E-mail: gmazzola@phys.ethz.ch [Theoretische Physik, ETH Zurich, 8093 Zurich (Switzerland); Casula, M., E-mail: michele.casula@impmc.upmc.fr [CNRS and Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

    2015-12-28

    We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wave function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.

  6. Innovative analytical competence. Optimization of shielding components and lifetime activation calculations

    Energy Technology Data Exchange (ETDEWEB)

    Boehlke, Steffen; Wortmann, Birgit; Aguilar, Arturo Lizon [STEAG Energy Services GmbH, Essen (Germany)

    2014-08-15

    Shielding and activation calculations always require a high level of engineering competence and powerful hard- and software tools. With the application of current methods often certain limits were reached in the past. The engineering work for optimization efforts regarding complex components with high shielding requirements exceeded the savings in material. With regard to activation the challenges in size of the geometric model and considered operation time rises constantly and pushes computing time beyond reasonable time frames. These challenges require the application of new and faster methodologies. The application of new and innovative methods is presented for a shielding optimization project to decrease the radiation level, to keep the dose rate limits, and to reduce the amount of used shielding material. In a second case a prediction of the activated materials with it's dose distribution in the surrounding area and classification of waste quantities in the structural materials of a nuclear reactor is presented. For the shielding project the preliminary design CAD model was imported into the software tool, several iterations were run and a significantly reduced radiation exposure together with a significant reduction in shieling material were achieved. For the activation calculations it could be demonstrated that it is possible to determine the activation, waste quantities and dose distribution for the structural materials of a nuclear reactor based on lifetime operational data within reasonable time frames.

  7. Iterative optimized effective potential and exact exchange calculations at finite temperature

    International Nuclear Information System (INIS)

    Mattsson, Ann Elisabet; Modine, Normand Arthur; Muller, Richard Partain; Desjarlais, Michael Paul; Lippert, Ross A.; Sears, Mark P.; Wright, Alan Francis

    2006-01-01

    We report the implementation of an iterative scheme for calculating the Optimized Effective Potential (OEP). Given an energy functional that depends explicitly on the Kohn-Sham wave functions, and therefore, implicitly on the local effective potential appearing in the Kohn-Sham equations, a gradient-based minimization is used to find the potential that minimizes the energy. Previous work has shown how to find the gradient of such an energy with respect to the effective potential in the zero-temperature limit. We discuss a density-matrix-based derivation of the gradient that generalizes the previous results to the finite temperature regime, and we describe important optimizations used in our implementation. We have applied our OEP approach to the Hartree-Fock energy expression to perform Exact Exchange (EXX) calculations. We report our EXX results for common semiconductors and ordered phases of hydrogen at zero and finite electronic temperatures. We also discuss issues involved in the implementation of forces within the OEP/EXX approach.

  8. An optimized ultra-fine energy group structure for neutron transport calculations

    International Nuclear Information System (INIS)

    Huria, Harish; Ouisloumen, Mohamed

    2008-01-01

    This paper describes an optimized energy group structure that was developed for neutron transport calculations in lattices using the Westinghouse lattice physics code PARAGON. The currently used 70-energy group structure results in significant discrepancies when the predictions are compared with those from the continuous energy Monte Carlo methods. The main source of the differences is the approximations employed in the resonance self-shielding methodology. This, in turn, leads to ambiguous adjustments in the resonance range cross-sections. The main goal of developing this group structure was to bypass the self-shielding methodology altogether thereby reducing the neutronic calculation errors. The proposed optimized energy mesh has 6064 points with 5877 points spanning the resonance range. The group boundaries in the resonance range were selected so that the micro group cross-sections matched reasonably well with those derived from reaction tallies of MCNP for a number of resonance absorbers of interest in reactor lattices. At the same time, however, the fast and thermal energy range boundaries were also adjusted to match the MCNP reaction rates in the relevant ranges. The resulting multi-group library was used to obtain eigenvalues for a wide variety of reactor lattice numerical benchmarks and also the Doppler reactivity defect benchmarks to establish its adequacy. (authors)

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

    Directory of Open Access Journals (Sweden)

    Lei Wang

    2014-01-01

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

  10. Calculating complete and exact Pareto front for multiobjective optimization: a new deterministic approach for discrete problems.

    Science.gov (United States)

    Hu, Xiao-Bing; Wang, Ming; Di Paolo, Ezequiel

    2013-06-01

    Searching the Pareto front for multiobjective optimization problems usually involves the use of a population-based search algorithm or of a deterministic method with a set of different single aggregate objective functions. The results are, in fact, only approximations of the real Pareto front. In this paper, we propose a new deterministic approach capable of fully determining the real Pareto front for those discrete problems for which it is possible to construct optimization algorithms to find the k best solutions to each of the single-objective problems. To this end, two theoretical conditions are given to guarantee the finding of the actual Pareto front rather than its approximation. Then, a general methodology for designing a deterministic search procedure is proposed. A case study is conducted, where by following the general methodology, a ripple-spreading algorithm is designed to calculate the complete exact Pareto front for multiobjective route optimization. When compared with traditional Pareto front search methods, the obvious advantage of the proposed approach is its unique capability of finding the complete Pareto front. This is illustrated by the simulation results in terms of both solution quality and computational efficiency.

  11. Interactive software tool to comprehend the calculation of optimal sequence alignments with dynamic programming.

    Science.gov (United States)

    Ibarra, Ignacio L; Melo, Francisco

    2010-07-01

    Dynamic programming (DP) is a general optimization strategy that is successfully used across various disciplines of science. In bioinformatics, it is widely applied in calculating the optimal alignment between pairs of protein or DNA sequences. These alignments form the basis of new, verifiable biological hypothesis. Despite its importance, there are no interactive tools available for training and education on understanding the DP algorithm. Here, we introduce an interactive computer application with a graphical interface, for the purpose of educating students about DP. The program displays the DP scoring matrix and the resulting optimal alignment(s), while allowing the user to modify key parameters such as the values in the similarity matrix, the sequence alignment algorithm version and the gap opening/extension penalties. We hope that this software will be useful to teachers and students of bioinformatics courses, as well as researchers who implement the DP algorithm for diverse applications. The software is freely available at: http:/melolab.org/sat. The software is written in the Java computer language, thus it runs on all major platforms and operating systems including Windows, Mac OS X and LINUX. All inquiries or comments about this software should be directed to Francisco Melo at fmelo@bio.puc.cl.

  12. Optimized shielding calculation to the transport of 131I employed in nuclear medicine

    International Nuclear Information System (INIS)

    Sahyun, A.; Sordi, G.M.; Rodrigues, D.; Sanches, M.P.; Romero F, C.R.

    1996-01-01

    The objective of this paper is to present the basis for shielding calculation used in different situations that could occur during the transport of 131 I utilized in nuclear medicine for diagnostic and therapeutic purposes. The aim of these calculation is to optimize the shielding in order to satisfy the transport of radioactive material. These calculations were proposed for estimated activities around 1,85 GBq (50mCi), 3,7 GBq(100mCi) and 7,4 GBq(200mCi), considering the driver of the cargo company and his assistant as the critical group and the general people considered as effect of collective dose. The population density considered in the models is the one related to Sao Paulo city, because the transport is done by the highway across the city and the radioactive material is distributed from west to north and south, where the airports are located. This area ranges a perimeter of 40 km. For the collective dose calculation, it was considered a population dose of less than 1/100 of the annual limit dose for the public. Our main concern is related to the large volume of radioactive material that is transported per week, specially because 1/3 of this material has activities around 3,7 GBq (100mCi). During the calculations, we have figured out that the activities at the moment of transport are nearly 40% greater than the one related to the calibration date. As for the discrepancy of official alpha value of US$10000/man-Sv and the real value for our country of US$3000/man-Sv,a comparative study was performed. (authors). 3 refs., 2 figs., 2 tabs

  13. Calculation of Pareto-optimal solutions to multiple-objective problems using threshold-of-acceptability constraints

    Science.gov (United States)

    Giesy, D. P.

    1978-01-01

    A technique is presented for the calculation of Pareto-optimal solutions to a multiple-objective constrained optimization problem by solving a series of single-objective problems. Threshold-of-acceptability constraints are placed on the objective functions at each stage to both limit the area of search and to mathematically guarantee convergence to a Pareto optimum.

  14. Direct visual evidence of end-on adsorption geometry of pyridine on silver surface investigated by surface enhanced Raman scattering and density functional theory calculations.

    Science.gov (United States)

    Bhunia, Snehasis; Forster, Stefan; Vyas, Nidhi; Schmitt, Hans-Christian; Ojha, Animesh K

    2015-12-05

    Fourier transform Raman (FT-Raman) spectra of neat pyridine (Py) and surface enhanced Raman scattering (SERS) spectra of Py with silver nanoparticles (AgNPs) solution at different molar concentrations (X=1.5M, 1.0M, 0.50 M, 0.25 M, and 0.125 M) were recorded using 1064 nm excitation wavelength. The intensity of Raman bands at ∼1003 (ν11) and ∼1035 (ν21) cm(-1) of Py is enhanced in the SERS spectra. Two new Raman bands were observed at ∼1009 (ν12) and ∼1038 (ν22) cm(-1) in the SERS spectra. These bands correspond to the ring breathing vibrations of Py molecules adsorbed at the AgNPs surface. The value of intensity ratios (I12/I11) and (I21/I22) is increased with dilution and attains a maximum value at X=0.5M and upon further dilution (0.25 and 0.125 M) it drops gradually. The theoretically calculated Raman spectra were found to be in good agreement with experimentally observed Raman spectra. Both, experimental and theoretical investigations have confirmed that the Py interacts with AgNPs via the end-on geometry. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. A spectral nodal method for eigenvalue S{sub N} transport problems in two-dimensional rectangular geometry for energy multigroup nuclear reactor global calculations

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Davi Jose M.; Alves Filho, Hermes; Barros, Ricardo C., E-mail: davijmsilva@yahoo.com.br, E-mail: halves@iprj.uerj.br, E-mail: rcbarros@pq.cnpq.br [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil). Programa de Pos-Graduacao em Modelagem Computacional

    2015-07-01

    A spectral nodal method is developed for multigroup x,y-geometry discrete ordinates (S{sub N}) eigenvalue problems for nuclear reactor global calculations. This method uses the conventional multigroup SN discretized spatial balance nodal equations with two non-standard auxiliary equations: the spectral diamond (SD) auxiliary equations for the discretization nodes inside the fuel regions, and the spectral Green's function (SGF) auxiliary equations for the non-multiplying regions, such as the baffle and the reactor. This spectral nodal method is derived from the analytical general solution of the SN transverse integrated nodal equations with constant approximations for the transverse leakage terms within each discretization node. The SD and SGF auxiliary equations have parameters, which are determined to preserve the homogeneous and the particular components of these local general solutions. Therefore, we refer to the offered method as the hybrid SD-SGF-Constant Nodal (SD-SGF-CN) method. The S{sub N} discretized spatial balance equations, together with the SD and the SGF auxiliary equations form the SD-SGF-CN equations. We solve the SD-SGF-CN equations by using the one-node block inversion inner iterations (NBI), wherein the most recent estimates for the incoming group node-edge average or prescribed boundary conditions are used to evaluate the outgoing group node-edge average fluxes in the directions of the S{sub N} transport sweeps, for each estimate of the dominant eigenvalue in the conventional Power outer iterations. We show in numerical calculations that the SD-SGF-CN method is very accurate for coarse-mesh multigroup S{sub N} eigenvalue problems, even though the transverse leakage terms are approximated rather simply. (author)

  16. A spectral nodal method for eigenvalue SN transport problems in two-dimensional rectangular geometry for energy multigroup nuclear reactor global calculations

    International Nuclear Information System (INIS)

    Silva, Davi Jose M.; Alves Filho, Hermes; Barros, Ricardo C.

    2015-01-01

    A spectral nodal method is developed for multigroup x,y-geometry discrete ordinates (S N ) eigenvalue problems for nuclear reactor global calculations. This method uses the conventional multigroup SN discretized spatial balance nodal equations with two non-standard auxiliary equations: the spectral diamond (SD) auxiliary equations for the discretization nodes inside the fuel regions, and the spectral Green's function (SGF) auxiliary equations for the non-multiplying regions, such as the baffle and the reactor. This spectral nodal method is derived from the analytical general solution of the SN transverse integrated nodal equations with constant approximations for the transverse leakage terms within each discretization node. The SD and SGF auxiliary equations have parameters, which are determined to preserve the homogeneous and the particular components of these local general solutions. Therefore, we refer to the offered method as the hybrid SD-SGF-Constant Nodal (SD-SGF-CN) method. The S N discretized spatial balance equations, together with the SD and the SGF auxiliary equations form the SD-SGF-CN equations. We solve the SD-SGF-CN equations by using the one-node block inversion inner iterations (NBI), wherein the most recent estimates for the incoming group node-edge average or prescribed boundary conditions are used to evaluate the outgoing group node-edge average fluxes in the directions of the S N transport sweeps, for each estimate of the dominant eigenvalue in the conventional Power outer iterations. We show in numerical calculations that the SD-SGF-CN method is very accurate for coarse-mesh multigroup S N eigenvalue problems, even though the transverse leakage terms are approximated rather simply. (author)

  17. Evaluation of formulas using the serum creatinine level to calculate the optimal dosage of carboplatin.

    Science.gov (United States)

    van Warmerdam, L J; Rodenhuis, S; ten Bokkel Huinink, W W; Maes, R A; Beijnen, J H

    1996-01-01

    Carboplatin is a chemotherapeutic agent frequently used in the treatment of various malignancies. An individual dosing strategy has been recommended to yield the most optimal exposure, expressed as the area under the concentration-time curve (AUC). The formula developed by Calvert et al. (dose = target-AUC x [GFR + 25]) can be used to achieve this. However, due to the inconvenient [51Cr]-ethylenediamine-tetraacetic acid ([51Cr]-EDTA)-based measurement of the glomerular filtration rate (GFR), its application in the clinic has thus far been limited. Chatelut and co-workers have recently proposed a formula to estimate carboplatin clearance using the serum creatinine concentration. We retrospectively tested the Chatelut equation and the Calvert formula using either the creatinine clearance based on 24-h urine collection or the creatinine clearance based on the formula of Cockcroft and Gault. The latter equations were shown to predict the carboplatin clearance reasonably well, although systematic overprediction and underprediction occurred. However, the formula proposed by Chatelut and co-workers had no significant bias and was precise. It is proposed that this formula be used to calculate the optimal carboplatin dosage after prospective validation has been performed.

  18. Sensitive method for the determination of rare earth elements by radioisotope-excited XRF employing a high purity germanium detector in optimized geometry

    International Nuclear Information System (INIS)

    Lal, M.; Joseph, D.; Patra, P.K.; Bajpal, H.N.

    1993-01-01

    A close-coupled side-source geometrical configuration is proposed for obtaining a high detection sensitivity for rare earth elements (57 ≤ Z ≤ 69) by radioisotope-excited energy-dispersive x-ray fluorescence spectrometry. In this configuration a disc source of 241 Am (100 mCi), a high-purity germanium detector and thin samples of rare earth elements on a Mylar backing are employed in an optimized geometry to achieve detection limits in the range 20-50 ng for these elements in a counting time of 1 h. (author)

  19. Development of a Carbon Emission Calculations System for Optimizing Building Plan Based on the LCA Framework

    Directory of Open Access Journals (Sweden)

    Feifei Fu

    2014-01-01

    Full Text Available Life cycle thinking has become widely applied in the assessment for building environmental performance. Various tool are developed to support the application of life cycle assessment (LCA method. This paper focuses on the carbon emission during the building construction stage. A partial LCA framework is established to assess the carbon emission in this phase. Furthermore, five typical LCA tools programs have been compared and analyzed for demonstrating the current application of LCA tools and their limitations in the building construction stage. Based on the analysis of existing tools and sustainability demands in building, a new computer calculation system has been developed to calculate the carbon emission for optimizing the sustainability during the construction stage. The system structure and detail functions are described in this paper. Finally, a case study is analyzed to demonstrate the designed LCA framework and system functions. This case is based on a typical building in UK with different plans of masonry wall and timber frame to make a comparison. The final results disclose that a timber frame wall has less embodied carbon emission than a similar masonry structure. 16% reduction was found in this study.

  20. First-principles calculations of 5d atoms doped hexagonal-AlN sheets: Geometry, magnetic property and the influence of symmetry and symmetry-breaking on the electronic structure

    International Nuclear Information System (INIS)

    Zhang Zhao-Fu; Zhou Tie-Ge; Zhao Hai-Yang; Wei Xiang-Lei

    2014-01-01

    The geometry, electronic structure and magnetic property of the hexagonal AlN (h-AlN) sheet doped by 5d atoms (Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au and Hg) are investigated by first-principles calculations based on the density functional theory. The influence of symmetry and symmetry-breaking is also studied. There are two types of local symmetries of the doped systems: C 3v and D 3h . The symmetry will deviate from exact C 3v and D 3h for some particular dopants after optimization. The total magnetic moments of the doped systems are 0μ B for Lu, Ta and Ir; 1μ B for Hf, W, Pt and Hg; 2μ B for Re and Au; and 3μ B for Os and Al-vacancy. The total densities of state are presented, where impurity energy levels exist. The impurity energy levels and total magnetic moments can be explained by the splitting of 5d orbitals or molecular orbitals under different symmetries. (condensed matter: structural, mechanical, and thermal properties)

  1. Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors

    Science.gov (United States)

    Orgován, Zoltán; Ferenczy, György G.; Steinbrecher, Thomas; Szilágyi, Bence; Bajusz, Dávid; Keserű, György M.

    2018-02-01

    Optimization of fragment size d-amino acid oxidase (DAAO) inhibitors was investigated using a combination of computational and experimental methods. Retrospective free energy perturbation (FEP) calculations were performed for benzo[d]isoxazole derivatives, a series of known inhibitors with two potential binding modes derived from X-ray structures of other DAAO inhibitors. The good agreement between experimental and computed binding free energies in only one of the hypothesized binding modes strongly support this bioactive conformation. Then, a series of 1-H-indazol-3-ol derivatives formerly not described as DAAO inhibitors was investigated. Binding geometries could be reliably identified by structural similarity to benzo[d]isoxazole and other well characterized series and FEP calculations were performed for several tautomers of the deprotonated and protonated compounds since all these forms are potentially present owing to the experimental pKa values of representative compounds in the series. Deprotonated compounds are proposed to be the most important bound species owing to the significantly better agreement between their calculated and measured affinities compared to the protonated forms. FEP calculations were also used for the prediction of the affinities of compounds not previously tested as DAAO inhibitors and for a comparative structure-activity relationship study of the benzo[d]isoxazole and indazole series. Selected indazole derivatives were synthesized and their measured binding affinity towards DAAO was in good agreement with FEP predictions.

  2. OPTIMIZATION OF SALARY CALCULATIONS AND EMPLOYEES’ LABOUR PRODUCTIVITY STIMULATION AT THE ENTERPRISE

    Directory of Open Access Journals (Sweden)

    Olha Odnoshevna

    2017-11-01

    Full Text Available The purposes of the paper are: the detailed analysis of salary calculations, the evaluation of the effectiveness of employees’ work, the development of optimizing mechanisms of salary calculations by increasing productivity and implementation of the methods of employees’ labour stimulation. Methodology. The study is based on an analysis of different groups of enterprises, including agricultural ones. It is analysed that for today the efficiency of labour at some enterprises drops due to low wages and the lack of employees’ motivation mechanism. Results. The study found that the process of salary calculations has a lot of problematic aspects, such as a deficient work organization, insufficient stimulation of workers, poorly composed documents, etc. To improve such a situation, it is suggested an introduction of automation in order to reduce the wasting of working time for data processing of an accounting department and to improve significantly the quality and speed of information transfer to the head of an enterprise and external users. It is offered to use a labour ball to improve employees’ motivation, which is a form of accounting for the work varying on quality and quantity that was contributed to production. According to the scoring results, a mechanism of bonuses for employees is suggested. Practical implications. We suggested entering new documents to control the number of issued orders – “Registration Book of Issued Orders”. To provide a high level of quality control of executed works, it is suggested to display data in a special primary document “Record Sheet of Performance Quality”. It is offered to use partial salary payment for unprofitable enterprises through payment in kind. Value/originality. At first, the results will allow increasing the firm’s performance quality without losing employees, and subsequently – allow increasing the profitability of the enterprise.

  3. Radiobiological impact of dose calculation algorithms on biologically optimized IMRT lung stereotactic body radiation therapy plans

    International Nuclear Information System (INIS)

    Liang, X.; Penagaricano, J.; Zheng, D.; Morrill, S.; Zhang, X.; Corry, P.; Griffin, R. J.; Han, E. Y.; Hardee, M.; Ratanatharathom, V.

    2016-01-01

    The aim of this study is to evaluate the radiobiological impact of Acuros XB (AXB) vs. Anisotropic Analytic Algorithm (AAA) dose calculation algorithms in combined dose-volume and biological optimized IMRT plans of SBRT treatments for non-small-cell lung cancer (NSCLC) patients. Twenty eight patients with NSCLC previously treated SBRT were re-planned using Varian Eclipse (V11) with combined dose-volume and biological optimization IMRT sliding window technique. The total dose prescribed to the PTV was 60 Gy with 12 Gy per fraction. The plans were initially optimized using AAA algorithm, and then were recomputed using AXB using the same MUs and MLC files to compare with the dose distribution of the original plans and assess the radiobiological as well as dosimetric impact of the two different dose algorithms. The Poisson Linear-Quadatric (PLQ) and Lyman-Kutcher-Burman (LKB) models were used for estimating the tumor control probability (TCP) and normal tissue complication probability (NTCP), respectively. The influence of the model parameter uncertainties on the TCP differences and the NTCP differences between AAA and AXB plans were studied by applying different sets of published model parameters. Patients were grouped into peripheral and centrally-located tumors to evaluate the impact of tumor location. PTV dose was lower in the re-calculated AXB plans, as compared to AAA plans. The median differences of PTV(D 95% ) were 1.7 Gy (range: 0.3, 6.5 Gy) and 1.0 Gy (range: 0.6, 4.4 Gy) for peripheral tumors and centrally-located tumors, respectively. The median differences of PTV(mean) were 0.4 Gy (range: 0.0, 1.9 Gy) and 0.9 Gy (range: 0.0, 4.3 Gy) for peripheral tumors and centrally-located tumors, respectively. TCP was also found lower in AXB-recalculated plans compared with the AAA plans. The median (range) of the TCP differences for 30 month local control were 1.6 % (0.3 %, 5.8 %) for peripheral tumors and 1.3 % (0.5 %, 3.4 %) for centrally located tumors. The lower

  4. Geometry optimization of a fibrous scaffold based on mathematical modelling and CFD simulation of a dynamic cell culture

    DEFF Research Database (Denmark)

    Tajsoleiman, Tannaz; J. Abdekhodaie, Mohammad; Gernaey, Krist

    2016-01-01

    simulation of cartilage cell culture under a perfusion flow, which allows not only to characterize the supply of nutrients and metabolic products inside a fibrous scaffold, but also to assess the overall culture condition and predict the cell growth rate. Afterwards, the simulation results supported finding...... an optimized design of the scaffold within a new mathematical optimization algorithm that is proposed. The main concept of this optimization routine isto maintain a large effective surface while simultaneously keeping the shear stress levelin an operating range that is expected to be supporting growth....... Therewith, it should bepossible to gradually reach improved culture efficiency as defined in the objective function....

  5. Optimization of GMAW process of AA 6063-T5 aluminum alloy butt joints based on the response surface methodology and on the bead geometry

    International Nuclear Information System (INIS)

    Miguel, V.; Martinez-Conesa, E. J.; Segura, F.; Manjabacas, M. C.; Abellan, E.

    2012-01-01

    The geometry of the weld beads is characterized by the overhead, the width and the penetration. These values are indices of the behavior of the welded joint and therefore, they can be considered as factors that control the process. This work is performed to optimize the GMAW process of the aluminum alloy AA 6063-T5 by means of the response surface methodology (RSM). The variables herein considered are the arc voltage, the welding speed, the wire feed speed and the separation between surfaces in butt joints. The response functions that are herein studied are the overhead, the width, the penetration and the angle of the bead. The obtained results by RSM show high grade of agreement with the experimental values. The procedure is experimentally validated by welding for the theoretically obtained optimized technological conditions and a wide agreement between theoretical and experimental values is found. (Author) 16 refs.

  6. Hyperbolic geometry

    CERN Document Server

    Iversen, Birger

    1992-01-01

    Although it arose from purely theoretical considerations of the underlying axioms of geometry, the work of Einstein and Dirac has demonstrated that hyperbolic geometry is a fundamental aspect of modern physics

  7. Optimization of path length stretching in Monte Carlo calculations for non-leakage problems

    Energy Technology Data Exchange (ETDEWEB)

    Hoogenboom, J.E. [Delft Univ. of Technology (Netherlands)

    2005-07-01

    Path length stretching (or exponential biasing) is a well known variance reduction technique in Monte Carlo calculations. It can especially be useful in shielding problems where particles have to penetrate a lot of material before being tallied. Several authors sought for optimization of the path length stretching parameter for detection of the leakage of neutrons from a slab. Here the adjoint function behaves as a single exponential function and can well be used to determine the stretching parameter. In this paper optimization is sought for a detector embedded in the system, which changes the adjoint function in the detector drastically. From literature it is known that the combination of path length stretching and angular biasing can result in appreciable variance reduction. However, angular biasing is not generally available in general purpose Monte Carlo codes and therefore we want to restrict ourselves to the application of pure path length stretching and finding optimum parameters for that. Nonetheless, the starting point for our research is the zero-variance scheme. In order to study the solution in detail the simplified monoenergetic two-direction model is adopted, which allows analytical solutions and can still be used in a Monte Carlo simulation. Knowing the zero-variance solution analytically, it is shown how optimum path length stretching parameters can be derived from it. It results in path length shrinking in the detector. Results for the variance in the detector response are shown in comparison with other patterns for the stretching parameter. The effect of anisotropic scattering on the path length stretching parameter is taken into account. (author)

  8. Twistor geometry

    NARCIS (Netherlands)

    van den Broek, P.M.

    1984-01-01

    The aim of this paper is to give a detailed exposition of the relation between the geometry of twistor space and the geometry of Minkowski space. The paper has a didactical purpose; no use has been made of differential geometry and cohomology.

  9. The importance of geospatial data to calculate the optimal distribution of renewable energies

    Science.gov (United States)

    Díaz, Paula; Masó, Joan

    2013-04-01

    Specially during last three years, the renewable energies are revolutionizing the international trade while they are geographically diversifying markets. Renewables are experiencing a rapid growth in power generation. According to REN21 (2012), during last six years, the total renewables capacity installed grew at record rates. In 2011, the EU raised its share of global new renewables capacity till 44%. The BRICS nations (Brazil, Russia, India and China) accounted for about 26% of the total global. Moreover, almost twenty countries in the Middle East, North Africa, and sub-Saharan Africa have currently active markets in renewables. The energy return ratios are commonly used to calculate the efficiency of the traditional energy sources. The Energy Return On Investment (EROI) compares the energy returned for a certain source and the energy used to get it (explore, find, develop, produce, extract, transform, harvest, grow, process, etc.). These energy return ratios have demonstrated a general decrease of efficiency of the fossil fuels and gas. When considering the limitations of the quantity of energy produced by some sources, the energy invested to obtain them and the difficulties of finding optimal locations for the establishment of renewables farms (e.g. due to an ever increasing scarce of appropriate land) the EROI becomes relevant in renewables. A spatialized EROI, which uses variables with spatial distribution, enables the optimal position in terms of both energy production and associated costs. It is important to note that the spatialized EROI can be mathematically formalized and calculated the same way for different locations in a reproducible way. This means that having established a concrete EROI methodology it is possible to generate a continuous map that will highlight the best productive zones for renewable energies in terms of maximum energy return at minimum cost. Relevant variables to calculate the real energy invested are the grid connections between

  10. Development and application of CATIA-GDML geometry builder

    International Nuclear Information System (INIS)

    Belogurov, S; Chernogorov, A; Ovcharenko, E; Schetinin, V; Berchun, Yu; Malzacher, P

    2014-01-01

    Due to conceptual difference between geometry descriptions in Computer-Aided Design (CAD) systems and particle transport Monte Carlo (MC) codes direct conversion of detector geometry in either direction is not feasible. The paper presents an update on functionality and application practice of the CATIA-GDML geometry builder first introduced at CHEP2010. This set of CATIAv5 tools has been developed for building a MC optimized GEANT4/ROOT compatible geometry based on the existing CAD model. The model can be exported via Geometry Description Markup Language (GDML). The builder allows also import and visualization of GEANT4/ROOT geometries in CATIA. The structure of a GDML file, including replicated volumes, volume assemblies and variables, is mapped into a part specification tree. A dedicated file template, a wide range of primitives, tools for measurement and implicit calculation of parameters, different types of multiple volume instantiation, mirroring, positioning and quality check have been implemented. Several use cases are discussed.

  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. Calculation of frequency of optimal inspection in non-notice inspection game

    International Nuclear Information System (INIS)

    Kumakura, Shinichi; Gotoh, Yoshiki; Kikuchi, Masahiro

    2011-01-01

    We consider a non-notice inspection game between an inspection party, who verifies absence of diversion of nuclear materials and misuse of nuclear facility, and a facility operator, who tries them in a nuclear facility. In the game, the payoff for each player, inspection party and facility operator, is composed of various elements (parameters) such as facility type, a type of nuclear material, number of inspection and others. Their payoffs consist of profits and costs (minus profit). Because of random nature by non-notice inspection, its deterrence effect and inspection number could have the potential to affect their payoffs. In this paper, their payoffs taking into consideration of the inspection environment above are represented as a function of inspection number. Then, the optimal number is calculated from a condition on their payoffs for number of inspection. Comparable statics analysis is performed in order to observe the change of inspection number which is equilibrium point by changing these parameters including deterrence effect, because the number derived depends on each parameter within the inspection environment. Based on the analysis results, necessary conditions to reduce the inspection number keeping inspection effect are pointed out. (author)

  13. Calculating and optimizing inter-electrode capacitances of charge division microchannel plate detectors

    Energy Technology Data Exchange (ETDEWEB)

    Xing, Yan [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Chen, Bo, E-mail: chenb@ciomp.ac.cn [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Zhang, Hong-Ji; Wang, Hai-Feng; He, Ling-Ping [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Jin, Fang-Yuan [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

    2016-04-01

    Based on the principle of charge division microchannel plate detectors, the inter-electrode capacitances of charge division anodes which are related to electronic noise of the charge sensitive amplifier and crosstalk effect of the anode are presented. Under all the requirements of charge division microchannel plate detectors such as the imaging linearity and spatial resolution, decreasing the inter-electrode capacitances is one way to improve the imaging performance. In this paper, we illustrate the simulation process of calculating the inter-electrode capacitances. Moreover, a Wedge and Strip (WSZ) anode is fabricated with the picosecond laser micromachining process. Comparing the simulated capacitances and measured capacitances, the three-dimensional finite element method is proved to be valid. Furthermore, by adjusting the design parameters of the anode, the effects of the substrate permittivity, insulation width and the size of pitch on the inter-electrode capacitances have been analysed. The structure of the charge division anode has been optimized based on the simulation data.

  14. A Closed Loop Inverse Kinematics Solver Intended for Offline Calculation Optimized with GA

    Directory of Open Access Journals (Sweden)

    Emil Dale Bjoerlykhaug

    2018-01-01

    Full Text Available This paper presents a simple approach to building a robotic control system. Instead of a conventional control system which solves the inverse kinematics in real-time as the robot moves, an alternative approach where the inverse kinematics is calculated ahead of time is presented. This approach reduces the complexity and code necessary for the control system. Robot control systems are usually implemented in low level programming language. This new approach enables the use of high level programming for the complex inverse kinematics problem. For our approach, we implement a program to solve the inverse kinematics, called the Inverse Kinematics Solver (IKS, in Java, with a simple graphical user interface (GUI to load a file with desired end effector poses and edit the configuration of the robot using the Denavit-Hartenberg (DH convention. The program uses the closed-loop inverse kinematics (CLIK algorithm to solve the inverse kinematics problem. As an example, the IKS was set up to solve the kinematics for a custom built serial link robot. The kinematics for the custom robot is presented, and an example of input and output files is also presented. Additionally, the gain of the loop in the IKS is optimized using a GA, resulting in almost a 50% decrease in computational time.

  15. submitter Biologically optimized helium ion plans: calculation approach and its in vitro validation

    CERN Document Server

    Mairani, A; Magro, G; Tessonnier, T; Kamp, F; Carlson, D J; Ciocca, M; Cerutti, F; Sala, P R; Ferrari, A; Böhlen, T T; Jäkel, O; Parodi, K; Debus, J; Abdollahi, A; Haberer, T

    2016-01-01

    Treatment planning studies on the biological effect of raster-scanned helium ion beams should be performed, together with their experimental verification, before their clinical application at the Heidelberg Ion Beam Therapy Center (HIT). For this purpose, we introduce a novel calculation approach based on integrating data-driven biological models in our Monte Carlo treatment planning (MCTP) tool. Dealing with a mixed radiation field, the biological effect of the primary $^4$He ion beams, of the secondary $^3$He and $^4$He (Z  =  2) fragments and of the produced protons, deuterons and tritons (Z  =  1) has to be taken into account. A spread-out Bragg peak (SOBP) in water, representative of a clinically-relevant scenario, has been biologically optimized with the MCTP and then delivered at HIT. Predictions of cell survival and RBE for a tumor cell line, characterized by ${{(\\alpha /\\beta )}_{\\text{ph}}}=5.4$ Gy, have been successfully compared against measured clonogenic survival data. The mean ...

  16. Resonant Frequency Calculation and Optimal Design of Peano Fractal Antenna for Partial Discharge Detection

    Directory of Open Access Journals (Sweden)

    Jian Li

    2012-01-01

    Full Text Available Ultra-high-frequency (UHF approaches have caught increasing attention recently and have been considered as a promising technology for online monitoring partial discharge (PD signals. This paper presents a Peano fractal antenna for UHF PD online monitoring of transformer with small size and multiband. The approximate formula for calculating the first resonant frequency of the Peano fractal antenna is presented. The results show that the first resonant frequency of the Peano fractal antenna is smaller than the Hilbert fractal antenna when the outer dimensions are equivalent approximately. The optimal geometric parameters of the antenna were obtained through simulation. Actual PD experiments had been carried out for two typically artificial insulation defect models, while the proposed antenna and the existing Hilbert antenna were both used for the PD measurement. The experimental results show that Peano fractal antenna is qualified for PD online UHF monitoring and a little more suitable than the Hilbert fractal antenna for pattern recognition by analyzing the waveforms of detected UHF PD signals.

  17. Sub-Riemannian geometry and time optimal control of three spin systems: Quantum gates and coherence transfer

    International Nuclear Information System (INIS)

    Khaneja, Navin; Brockett, Roger; Glaser, Steffen J.

    2002-01-01

    Radio-frequency pulses are used in nuclear-magnetic-resonance spectroscopy to produce unitary transfer of states. Pulse sequences that accomplish a desired transfer should be as short as possible in order to minimize the effects of relaxation, and to optimize the sensitivity of the experiments. Many coherence-transfer experiments in NMR, involving a network of coupled spins, use temporary spin decoupling to produce desired effective Hamiltonians. In this paper, we demonstrate that significant time can be saved in producing an effective Hamiltonian if spin decoupling is avoided. We provide time-optimal pulse sequences for producing an important class of effective Hamiltonians in three-spin networks. These effective Hamiltonians are useful for coherence-transfer experiments in three-spin systems and implementation of indirect swap and Λ 2 (U) gates in the context of NMR quantum computing. It is shown that computing these time-optimal pulses can be reduced to geometric problems that involve computing sub-Riemannian geodesics. Using these geometric ideas, explicit expressions for the minimum time required for producing these effective Hamiltonians, transfer of coherence, and implementation of indirect swap gates, in a three-spin network are derived (Theorems 1 and 2). It is demonstrated that geometric control techniques provide a systematic way of finding time-optimal pulse sequences for transferring coherence and synthesizing unitary transformations in quantum networks, with considerable time savings (e.g., 42.3% for constructing indirect swap gates)

  18. Optimization of two-phase R600a ejector geometries using a non-equilibrium CFD model

    International Nuclear Information System (INIS)

    Lee, Moon Soo; Lee, Hoseong; Hwang, Yunho; Radermacher, Reinhard; Jeong, Hee-Moon

    2016-01-01

    Highlights: • Empirical mass transfer coefficient correlation is built based on Weber number. • Developed model is validated in terms of the e and DP. • A set of Pareto solutions is obtained from MOGA based OAAO method. • DP is improved up to 10,379 Pa with the same e of the baseline. • e is enhanced up to 0.782 with the same DP of the baseline case. - Abstract: A vapor compression cycle, which is typically utilized for the heat pump, air conditioning and refrigeration systems, has inherent thermodynamic losses associated with expansion and compression processes. To minimize these losses and improve the energy efficiency of the vapor compression cycle, an ejector can be applied. However, due to the occurrence of complex physics i.e., non-equilibrium flashing compressible flow in the nozzle with possible shock interactions, it has not been feasible to model or optimize the design of a two-phase ejector. In this study, a homogeneous, non-equilibrium, two-phase flow computational fluid dynamics (CFD) model in a commercial code is used with an in-house empirical correlation for the mass transfer coefficient and real gas properties to perform a geometric optimization of a two-phase ejector. The model is first validated with experimental data of an ejector with R600a as the working fluid. After that, the design parameters of the ejector are optimized using multi-objective genetic algorithm (MOGA) based online approximation-assisted optimization (OAAO) approaches to find the maximum performance.

  19. Optimization of combustion chamber geometry and operating conditions for compression ignition engine fueled with pre-blended gasoline-diesel fuel

    International Nuclear Information System (INIS)

    Lee, Seokhwon; Jeon, Joonho; Park, Sungwook

    2016-01-01

    Highlights: • Pre-blended gasoline-diesel fuel was used with direct injection system. • KIVA-CHEMKIN code modeled dual-fuel fuel spray and combustion processes with discrete multi-component model. • The characteristics of Combustion and emission on pre-blended fuel was investigated with various fuel reactivities. • Optimization of combustion chamber shape improved combustion performance of the gasoline-diesel blended fuel engine. - Abstract: In this study, experiments and numerical simulations were used to improve the fuel efficiency of compression ignition engine using a gasoline-diesel blended fuel and an optimization technology. The blended fuel is directly injected into the cylinder with various blending ratios. Combustion and emission characteristics were investigated to explore the effects of gasoline ratio on fuel blend. The present study showed that the advantages of gasoline-diesel blended fuel, high thermal efficiency and low emission, were maximized using the numerical optimization method. The ignition delay and maximum pressure rise rate increased with the proportion of gasoline. As the gasoline fraction increased, the combustion duration and the indicated mean effective pressure decreased. The homogeneity of the fuel-air mixture was improved due to longer ignition delay. Soot emission was significantly reduced up to 90% compared to that of conventional diesel. The nitrogen oxides emissions of the blended fuel increased slightly when the start of injection was retarded toward top dead center. For the numerical study, KIVA-CHEMKIN multi-dimensional CFD code was used to model the combustion and emission characteristics of gasoline-diesel blended fuel. The micro genetic algorithm coupled with the KIVA-CHEMKIN code were used to optimize the combustion chamber shape and operating conditions to improve the combustion performance of the blended fuel engine. The optimized chamber geometry enhanced the fuel efficiency, for a level of nitrogen oxides

  20. Molecular geometry

    CERN Document Server

    Rodger, Alison

    1995-01-01

    Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and trans

  1. MO-F-CAMPUS-T-01: Radiosurgery of Multiple Brain Metastases with Single-Isocenter VMAT: Optimizing Treatment Geometry to Reduce Normal Brain Dose

    International Nuclear Information System (INIS)

    Wu, Q; Snyder, K; Liu, C; Huang, Y; Li, H; Chetty, I; Wen, N

    2015-01-01

    Purpose: To develop an optimization algorithm to reduce normal brain dose by optimizing couch and collimator angles for single isocenter multiple targets treatment of stereotactic radiosurgery. Methods: Three metastatic brain lesions were retrospectively planned using single-isocenter volumetric modulated arc therapy (VMAT). Three matrices were developed to calculate the projection of each lesion on Beam’s Eye View (BEV) by the rotating couch, collimator and gantry respectively. The island blocking problem was addressed by computing the total area of open space between any two lesions with shared MLC leaf pairs. The couch and collimator angles resulting in the smallest open areas were the optimized angles for each treatment arc. Two treatment plans with and without couch and collimator angle optimization were developed using the same objective functions and to achieve 99% of each target volume receiving full prescription dose of 18Gy. Plan quality was evaluated by calculating each target’s Conformity Index (CI), Gradient Index (GI), and Homogeneity index (HI), and absolute volume of normal brain V8Gy, V10Gy, V12Gy, and V14Gy. Results: Using the new couch/collimator optimization strategy, dose to normal brain tissue was reduced substantially. V8, V10, V12, and V14 decreased by 2.3%, 3.6%, 3.5%, and 6%, respectively. There were no significant differences in the conformity index, gradient index, and homogeneity index between two treatment plans with and without the new optimization algorithm. Conclusion: We have developed a solution to the island blocking problem in delivering radiation to multiple brain metastases with shared isocenter. Significant reduction in dose to normal brain was achieved by using optimal couch and collimator angles that minimize total area of open space between any of the two lesions with shared MLC leaf pairs. This technique has been integrated into Eclipse treatment system using scripting API

  2. MO-F-CAMPUS-T-01: Radiosurgery of Multiple Brain Metastases with Single-Isocenter VMAT: Optimizing Treatment Geometry to Reduce Normal Brain Dose

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Q [Wayne State University, Detroit, MI (United States); Snyder, K; Liu, C; Huang, Y; Li, H; Chetty, I; Wen, N [Henry Ford Health System, Detroit, MI (United States)

    2015-06-15

    Purpose: To develop an optimization algorithm to reduce normal brain dose by optimizing couch and collimator angles for single isocenter multiple targets treatment of stereotactic radiosurgery. Methods: Three metastatic brain lesions were retrospectively planned using single-isocenter volumetric modulated arc therapy (VMAT). Three matrices were developed to calculate the projection of each lesion on Beam’s Eye View (BEV) by the rotating couch, collimator and gantry respectively. The island blocking problem was addressed by computing the total area of open space between any two lesions with shared MLC leaf pairs. The couch and collimator angles resulting in the smallest open areas were the optimized angles for each treatment arc. Two treatment plans with and without couch and collimator angle optimization were developed using the same objective functions and to achieve 99% of each target volume receiving full prescription dose of 18Gy. Plan quality was evaluated by calculating each target’s Conformity Index (CI), Gradient Index (GI), and Homogeneity index (HI), and absolute volume of normal brain V8Gy, V10Gy, V12Gy, and V14Gy. Results: Using the new couch/collimator optimization strategy, dose to normal brain tissue was reduced substantially. V8, V10, V12, and V14 decreased by 2.3%, 3.6%, 3.5%, and 6%, respectively. There were no significant differences in the conformity index, gradient index, and homogeneity index between two treatment plans with and without the new optimization algorithm. Conclusion: We have developed a solution to the island blocking problem in delivering radiation to multiple brain metastases with shared isocenter. Significant reduction in dose to normal brain was achieved by using optimal couch and collimator angles that minimize total area of open space between any of the two lesions with shared MLC leaf pairs. This technique has been integrated into Eclipse treatment system using scripting API.

  3. Orbital Exponent Optimization in Elementary VB Calculations of the Chemical Bond in the Ground State of Simple Molecular Systems

    Science.gov (United States)

    Magnasco, Valerio

    2008-01-01

    Orbital exponent optimization in the elementary ab-initio VB calculation of the ground states of H[subscript 2][superscript +], H[subscript 2], He[subscript 2][superscript +], He[subscript 2] gives a fair description of the exchange-overlap component of the interatomic interaction that is important in the bond region. Correct bond lengths and…

  4. Application of Generalized Mie Theory to EELS Calculations as a Tool for Optimization of Plasmonic Structures

    DEFF Research Database (Denmark)

    Thomas, Stefan; Matyssek, Christian; Hergert, Wolfram

    2015-01-01

    Technical applications of plasmonic nanostructures require a careful structural optimization with respect to the desired functionality. The success of such optimizations strongly depends on the applied method. We extend the generalized multiparticle Mie (GMM) computational electromagnetic method ...... by the application of genetic algorithms combined with a simplex algorithm. The scheme is applied to the design of plasmonic filters.......Technical applications of plasmonic nanostructures require a careful structural optimization with respect to the desired functionality. The success of such optimizations strongly depends on the applied method. We extend the generalized multiparticle Mie (GMM) computational electromagnetic method...

  5. Optical geometry

    International Nuclear Information System (INIS)

    Robinson, I.; Trautman, A.

    1988-01-01

    The geometry of classical physics is Lorentzian; but weaker geometries are often more appropriate: null geodesics and electromagnetic fields, for example, are well known to be objects of conformal geometry. To deal with a single null congruence, or with the radiative electromagnetic fields associated with it, even less is needed: flag geometry for the first, optical geometry, with which this paper is chiefly concerned, for the second. The authors establish a natural one-to-one correspondence between optical geometries, considered locally, and three-dimensional Cauchy-Riemann structures. A number of Lorentzian geometries are shown to be equivalent from the optical point of view. For example the Goedel universe, the Taub-NUT metric and Hauser's twisting null solution have an optical geometry isomorphic to the one underlying the Robinson congruence in Minkowski space. The authors present general results on the problem of lifting a CR structure to a Lorentz manifold and, in particular, to Minkowski space; and exhibit the relevance of the deviation form to this problem

  6. Diseño de losas de hormigón con geometría optimizada Design of concrete pavement with optimized slab geometry

    Directory of Open Access Journals (Sweden)

    Juan Pablo Covarrubias V.

    2012-12-01

    condiciones de cargas mecánicas y térmicas en diferentes posiciones. El agrietamiento de las losas se determina calculando la fatiga del hormigón y los modelos utilizados por la guía de diseño AASHTO del año 2007 y mediante calibración en secciones de prueba a gran escala. La nueva metodología diseña losas de hormigón que en promedio son 7 cm más delgadas para vías de alto tráfico en relación con el diseño tradicional de pavimentos AASHTO (1993. El método de diseño también es capaz de diseñar de manera eficiente pavimentos de hormigón para vías de menor volumen de tráfico que no son cubiertos con los actuales métodos de diseño de pavimento dando una alternativa a soluciones en asfalto.A new technology has been developed to design concrete pavements, which reduces slabs' thickness and optimizes their sizes, because of trucks axles' geometry. The design is supported by a gravel base treated with concrete or asphalt. It assumes there is no adherence between the base (existing pavement and the concrete slab. The core principle of this design method consists of designing a slab size, so that no more than one wheel set stays on a given slab, thus minimizing the critical tensile stress on the surface. Test segments have been built on a large scale and they have been tested under accelerated loads, with concrete thickness of 8, 15 and 20 cm, all of them having a gravel base and non-adhered asphaltic layers. Tests demonstrated that a reduced-size slab, of low thickness, might bear a considerable amount of equivalent axles before cracking takes place. Concrete slabs on gravel bases with 20 cm thickness did not suffer from cracking, in spite of being tested under more than 50 millions of equivalent axles. Slabs of 15 cm thickness suffered from cracking when tested under an average of 12 millions equivalent axles, while slabs of 8 cm thickness endured 75,000 equivalent axles before the first cracking took place. Besides the executed tests demonstrated that fiber

  7. SU-F-T-428: An Optimization-Based Commissioning Tool for Finite Size Pencil Beam Dose Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Li, Y; Tian, Z; Song, T; Jia, X; Gu, X; Jiang, S [UT Southwestern Medical Center, Dallas, TX (United States)

    2016-06-15

    Purpose: Finite size pencil beam (FSPB) algorithms are commonly used to pre-calculate the beamlet dose distribution for IMRT treatment planning. FSPB commissioning, which usually requires fine tuning of the FSPB kernel parameters, is crucial to the dose calculation accuracy and hence the plan quality. Yet due to the large number of beamlets, FSPB commissioning could be very tedious. This abstract reports an optimization-based FSPB commissioning tool we have developed in MatLab to facilitate the commissioning. Methods: A FSPB dose kernel generally contains two types of parameters: the profile parameters determining the dose kernel shape, and a 2D scaling factors accounting for the longitudinal and off-axis corrections. The former were fitted using the penumbra of a reference broad beam’s dose profile with Levenberg-Marquardt algorithm. Since the dose distribution of a broad beam is simply a linear superposition of the dose kernel of each beamlet calculated with the fitted profile parameters and scaled using the scaling factors, these factors could be determined by solving an optimization problem which minimizes the discrepancies between the calculated dose of broad beams and the reference dose. Results: We have commissioned a FSPB algorithm for three linac photon beams (6MV, 15MV and 6MVFFF). Dose of four field sizes (6*6cm2, 10*10cm2, 15*15cm2 and 20*20cm2) were calculated and compared with the reference dose exported from Eclipse TPS system. For depth dose curves, the differences are less than 1% of maximum dose after maximum dose depth for most cases. For lateral dose profiles, the differences are less than 2% of central dose at inner-beam regions. The differences of the output factors are within 1% for all the three beams. Conclusion: We have developed an optimization-based commissioning tool for FSPB algorithms to facilitate the commissioning, providing sufficient accuracy of beamlet dose calculation for IMRT optimization.

  8. Intermediate algebra & analytic geometry

    CERN Document Server

    Gondin, William R

    1967-01-01

    Intermediate Algebra & Analytic Geometry Made Simple focuses on the principles, processes, calculations, and methodologies involved in intermediate algebra and analytic geometry. The publication first offers information on linear equations in two unknowns and variables, functions, and graphs. Discussions focus on graphic interpretations, explicit and implicit functions, first quadrant graphs, variables and functions, determinate and indeterminate systems, independent and dependent equations, and defective and redundant systems. The text then examines quadratic equations in one variable, system

  9. A constrained optimization algorithm for total energy minimization in electronic structure calculations

    International Nuclear Information System (INIS)

    Yang Chao; Meza, Juan C.; Wang Linwang

    2006-01-01

    A new direct constrained optimization algorithm for minimizing the Kohn-Sham (KS) total energy functional is presented in this paper. The key ingredients of this algorithm involve projecting the total energy functional into a sequence of subspaces of small dimensions and seeking the minimizer of total energy functional within each subspace. The minimizer of a subspace energy functional not only provides a search direction along which the KS total energy functional decreases but also gives an optimal 'step-length' to move along this search direction. Numerical examples are provided to demonstrate that this new direct constrained optimization algorithm can be more efficient than the self-consistent field (SCF) iteration

  10. Optimizing a neutron-beam focusing device for the direct geometry time-of-flight spectrometer TOFTOF at the FRM II reactor source

    Energy Technology Data Exchange (ETDEWEB)

    Rasmussen, N.G. [Nanoscience Center, Niels Bohr Institute, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark); Simeoni, G.G., E-mail: ggsimeoni@outlook.com [Heinz Maier-Leibnitz Zentrum (MLZ) and Physics Department, Technical University of Munich, D-85748 Garching (Germany); Lefmann, K. [Nanoscience Center, Niels Bohr Institute, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

    2016-04-21

    A dedicated beam-focusing device has been designed for the direct geometry thermal-cold neutron time-of-flight spectrometer TOFTOF at the neutron facility FRM II (Garching, Germany). The prototype, based on the compressed Archimedes' mirror concept, benefits from the adaptive-optics technology (adjustable supermirror curvature) and the compact size (only 0.5 m long). We have simulated the neutron transport across the entire guide system. We present a detailed computer characterization of the existing device, along with the study of the factors mostly influencing the future improvement. We have optimized the simulated prototype as a function of the neutron wavelength, accounting also for all relevant features of a real instrument like the non-reflecting side edges. The results confirm the “chromatic” displacement of the focal point (flux density maximum) at fixed supermirror curvature, and the ability of a variable curvature to keep the focal point at the sample position. Our simulations are in excellent agreement with theoretical predictions and the experimentally measured beam profile. With respect to the possibility of a further upgrade, we find that supermirror coatings with m-values higher than 3.5 would have only marginal influence on the optimal behaviour, whereas comparable spectrometers could take advantage of longer focusing segments, with particular impact for the thermal region of the neutron spectrum.

  11. Development of procedures for calculating stiffness and damping properties of elastomers. Part 3: The effects of temperature, dissipation level and geometry

    Science.gov (United States)

    Smalley, A. J.; Tessarzik, J. M.

    1975-01-01

    Effects of temperature, dissipation level and geometry on the dynamic behavior of elastomer elements were investigated. Force displacement relationships in elastomer elements and the effects of frequency, geometry and temperature upon these relationships are reviewed. Based on this review, methods of reducing stiffness and damping data for shear and compression test elements to material properties (storage and loss moduli) and empirical geometric factors are developed and tested using previously generated experimental data. A prediction method which accounts for large amplitudes of deformation is developed on the assumption that their effect is to increase temperature through the elastomers, thereby modifying the local material properties. Various simple methods of predicting the radial stiffness of ring cartridge elements are developed and compared. Material properties were determined from the shear specimen tests as a function of frequency and temperature. Using these material properties, numerical predictions of stiffness and damping for cartridge and compression specimens were made and compared with corresponding measurements at different temperatures, with encouraging results.

  12. Beautiful geometry

    CERN Document Server

    Maor, Eli

    2014-01-01

    If you've ever thought that mathematics and art don't mix, this stunning visual history of geometry will change your mind. As much a work of art as a book about mathematics, Beautiful Geometry presents more than sixty exquisite color plates illustrating a wide range of geometric patterns and theorems, accompanied by brief accounts of the fascinating history and people behind each. With artwork by Swiss artist Eugen Jost and text by acclaimed math historian Eli Maor, this unique celebration of geometry covers numerous subjects, from straightedge-and-compass constructions to intriguing configur

  13. Design and implementation of an optimal laser pulse front tilting scheme for ultrafast electron diffraction in reflection geometry with high temporal resolution

    Directory of Open Access Journals (Sweden)

    Francesco Pennacchio

    2017-07-01

    Full Text Available Ultrafast electron diffraction is a powerful technique to investigate out-of-equilibrium atomic dynamics in solids with high temporal resolution. When diffraction is performed in reflection geometry, the main limitation is the mismatch in group velocity between the overlapping pump light and the electron probe pulses, which affects the overall temporal resolution of the experiment. A solution already available in the literature involved pulse front tilt of the pump beam at the sample, providing a sub-picosecond time resolution. However, in the reported optical scheme, the tilted pulse is characterized by a temporal chirp of about 1 ps at 1 mm away from the centre of the beam, which limits the investigation of surface dynamics in large crystals. In this paper, we propose an optimal tilting scheme designed for a radio-frequency-compressed ultrafast electron diffraction setup working in reflection geometry with 30 keV electron pulses containing up to 105 electrons/pulse. To characterize our scheme, we performed optical cross-correlation measurements, obtaining an average temporal width of the tilted pulse lower than 250 fs. The calibration of the electron-laser temporal overlap was obtained by monitoring the spatial profile of the electron beam when interacting with the plasma optically induced at the apex of a copper needle (plasma lensing effect. Finally, we report the first time-resolved results obtained on graphite, where the electron-phonon coupling dynamics is observed, showing an overall temporal resolution in the sub-500 fs regime. The successful implementation of this configuration opens the way to directly probe structural dynamics of low-dimensional systems in the sub-picosecond regime, with pulsed electrons.

  14. Analytische Geometrie

    Science.gov (United States)

    Kemnitz, Arnfried

    Der Grundgedanke der Analytischen Geometrie besteht darin, dass geometrische Untersuchungen mit rechnerischen Mitteln geführt werden. Geometrische Objekte werden dabei durch Gleichungen beschrieben und mit algebraischen Methoden untersucht.

  15. Algebraic geometry

    CERN Document Server

    Lefschetz, Solomon

    2005-01-01

    An introduction to algebraic geometry and a bridge between its analytical-topological and algebraical aspects, this text for advanced undergraduate students is particularly relevant to those more familiar with analysis than algebra. 1953 edition.

  16. Information geometry

    CERN Document Server

    Ay, Nihat; Lê, Hông Vân; Schwachhöfer, Lorenz

    2017-01-01

    The book provides a comprehensive introduction and a novel mathematical foundation of the field of information geometry with complete proofs and detailed background material on measure theory, Riemannian geometry and Banach space theory. Parametrised measure models are defined as fundamental geometric objects, which can be both finite or infinite dimensional. Based on these models, canonical tensor fields are introduced and further studied, including the Fisher metric and the Amari-Chentsov tensor, and embeddings of statistical manifolds are investigated. This novel foundation then leads to application highlights, such as generalizations and extensions of the classical uniqueness result of Chentsov or the Cramér-Rao inequality. Additionally, several new application fields of information geometry are highlighted, for instance hierarchical and graphical models, complexity theory, population genetics, or Markov Chain Monte Carlo. The book will be of interest to mathematicians who are interested in geometry, inf...

  17. Step-by-step optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    International Nuclear Information System (INIS)

    Frolov, A.M.

    1986-01-01

    Exact variational calculations are treated for few-particle systems in the exponential basis of relative coordinates using nonlinear parameters. The methods of step-by-step optimization and global chaos of nonlinear parameters are applied to calculate the S and P states of ppμ, ddμ, ttμ homonuclear mesomolecules within the error ≤±0.001 eV. The global chaos method turned out to be well applicable to nuclear 3 H and 3 He systems

  18. Step-by-step optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, A M

    1986-09-01

    Exact variational calculations are treated for few-particle systems in the exponential basis of relative coordinates using nonlinear parameters. The methods of step-by-step optimization and global chaos of nonlinear parameters are applied to calculate the S and P states of pp..mu.., dd..mu.., tt..mu.. homonuclear mesomolecules within the error less than or equal to+-0.001 eV. The global chaos method turned out to be well applicable to nuclear /sup 3/H and /sup 3/He systems.

  19. Calculation of Residual Dose Rates and Intervention Scenarios for the LHC Beam Cleaning Insertions-Constraints and Optimization

    CERN Document Server

    Brugger, Markus; Assmann, R W; Forkel-Wirth, Doris; Menzel, Hans Gregor; Roesler, Stefan; Vincke, Helmut H

    2005-01-01

    Radiation protection of the personnel who will perform interventions in the LHC Beam Cleaning Insertions is mandatory and includes the design of equipment and the establishment of work procedures. Residual dose rates due to activated equipment are expected to reach significant values such that any maintenance has to be planned and optimized in advance. Three-dimensional maps of dose equivalent rates at different cooling times after operation of the LHC have been calculated with FLUKA. The simulations are based on an explicit calculation of induced radioactivity and of the transport of the radiation from the radioactive decay. The paper summarizes the results for the Beam Cleaning Insertions and discusses the estimation of individual and collective doses received by personnel during critical interventions, such as the exchange of a collimator or the installation of Phase 2. The given examples outline the potential and the need to optimize, in an iterative way, the design of components as well as the layout of ...

  20. Optimization of calculation models of maintenance offers for new civil engines

    OpenAIRE

    Pechoutre, Jean-Baptiste

    2011-01-01

    The sales support department performs calculations concerning maintenance offerings for civil engines based on the use of complex tools. This report describes the missions conducted during my Master's thesis: firstly, the establishment of a monitoring and security tool in the process of calculating maintenance costs. The second achievement is the creation of a tool for decision support in order to estimate and compare some of the maintenance costs associated with the use of the new commercial...

  1. Information Extraction of High Resolution Remote Sensing Images Based on the Calculation of Optimal Segmentation Parameters

    Science.gov (United States)

    Zhu, Hongchun; Cai, Lijie; Liu, Haiying; Huang, Wei

    2016-01-01

    Multi-scale image segmentation and the selection of optimal segmentation parameters are the key processes in the object-oriented information extraction of high-resolution remote sensing images. The accuracy of remote sensing special subject information depends on this extraction. On the basis of WorldView-2 high-resolution data, the optimal segmentation parameters methodof object-oriented image segmentation and high-resolution image information extraction, the following processes were conducted in this study. Firstly, the best combination of the bands and weights was determined for the information extraction of high-resolution remote sensing image. An improved weighted mean-variance method was proposed andused to calculatethe optimal segmentation scale. Thereafter, the best shape factor parameter and compact factor parameters were computed with the use of the control variables and the combination of the heterogeneity and homogeneity indexes. Different types of image segmentation parameters were obtained according to the surface features. The high-resolution remote sensing images were multi-scale segmented with the optimal segmentation parameters. Ahierarchical network structure was established by setting the information extraction rules to achieve object-oriented information extraction. This study presents an effective and practical method that can explain expert input judgment by reproducible quantitative measurements. Furthermore the results of this procedure may be incorporated into a classification scheme. PMID:27362762

  2. Individualized directional microphone optimization in hearing aids based on reconstructing the 3D geometry of the head and ear from 2D images

    DEFF Research Database (Denmark)

    Harder, Stine

    head model based on 2D images, the second step is to simulate individual head related transfer functions (HRTFs) based on the estimated 3D head model and the final step is to calculate optimal directional filters based on the simulated HRTFs. The pipeline is employed on a Behind-The-Ear (BTE) hearing...... against non-individual directional filters revealed equally high Articulation-Index weighted Directivity Index (AI-DI) values for our specific test subject. However, measurements on other individuals indicate that the performance of the non-individual filters vary among subjects, and in particular...

  3. High-throughput density functional calculations to optimize properties and interfacial chemistry of piezoelectric materials

    Science.gov (United States)

    Barr, Jordan A.; Lin, Fang-Yin; Ashton, Michael; Hennig, Richard G.; Sinnott, Susan B.

    2018-02-01

    High-throughput density functional theory calculations are conducted to search through 1572 A B O3 compounds to find a potential replacement material for lead zirconate titanate (PZT) that exhibits the same excellent piezoelectric properties as PZT and lacks both its use of the toxic element lead (Pb) and the formation of secondary alloy phases with platinum (Pt) electrodes. The first screening criterion employed a search through the Materials Project database to find A -B combinations that do not form ternary compounds with Pt. The second screening criterion aimed to eliminate potential candidates through first-principles calculations of their electronic structure, in which compounds with a band gap of 0.25 eV or higher were retained. Third, thermodynamic stability calculations were used to compare the candidates in a Pt environment to compounds already calculated to be stable within the Materials Project. Formation energies below or equal to 100 meV/atom were considered to be thermodynamically stable. The fourth screening criterion employed lattice misfit to identify those candidate perovskites that have low misfit with the Pt electrode and high misfit of potential secondary phases that can be formed when Pt alloys with the different A and B components. To aid in the final analysis, dynamic stability calculations were used to determine those perovskites that have dynamic instabilities that favor the ferroelectric distortion. Analysis of the data finds three perovskites warranting further investigation: CsNb O3 , RbNb O3 , and CsTa O3 .

  4. SU-C-BRC-03: Development of a Novel Strategy for On-Demand Monte Carlo and Deterministic Dose Calculation Treatment Planning and Optimization for External Beam Photon and Particle Therapy

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Y M; Bush, K; Han, B; Xing, L [Department of Radiation Oncology, Stanford University School of Medicine, Stanford, CA (United States)

    2016-06-15

    Purpose: Accurate and fast dose calculation is a prerequisite of precision radiation therapy in modern photon and particle therapy. While Monte Carlo (MC) dose calculation provides high dosimetric accuracy, the drastically increased computational time hinders its routine use. Deterministic dose calculation methods are fast, but problematic in the presence of tissue density inhomogeneity. We leverage the useful features of deterministic methods and MC to develop a hybrid dose calculation platform with autonomous utilization of MC and deterministic calculation depending on the local geometry, for optimal accuracy and speed. Methods: Our platform utilizes a Geant4 based “localized Monte Carlo” (LMC) method that isolates MC dose calculations only to volumes that have potential for dosimetric inaccuracy. In our approach, additional structures are created encompassing heterogeneous volumes. Deterministic methods calculate dose and energy fluence up to the volume surfaces, where the energy fluence distribution is sampled into discrete histories and transported using MC. Histories exiting the volume are converted back into energy fluence, and transported deterministically. By matching boundary conditions at both interfaces, deterministic dose calculation account for dose perturbations “downstream” of localized heterogeneities. Hybrid dose calculation was performed for water and anthropomorphic phantoms. Results: We achieved <1% agreement between deterministic and MC calculations in the water benchmark for photon and proton beams, and dose differences of 2%–15% could be observed in heterogeneous phantoms. The saving in computational time (a factor ∼4–7 compared to a full Monte Carlo dose calculation) was found to be approximately proportional to the volume of the heterogeneous region. Conclusion: Our hybrid dose calculation approach takes advantage of the computational efficiency of deterministic method and accuracy of MC, providing a practical tool for high

  5. SU-C-BRC-03: Development of a Novel Strategy for On-Demand Monte Carlo and Deterministic Dose Calculation Treatment Planning and Optimization for External Beam Photon and Particle Therapy

    International Nuclear Information System (INIS)

    Yang, Y M; Bush, K; Han, B; Xing, L

    2016-01-01

    Purpose: Accurate and fast dose calculation is a prerequisite of precision radiation therapy in modern photon and particle therapy. While Monte Carlo (MC) dose calculation provides high dosimetric accuracy, the drastically increased computational time hinders its routine use. Deterministic dose calculation methods are fast, but problematic in the presence of tissue density inhomogeneity. We leverage the useful features of deterministic methods and MC to develop a hybrid dose calculation platform with autonomous utilization of MC and deterministic calculation depending on the local geometry, for optimal accuracy and speed. Methods: Our platform utilizes a Geant4 based “localized Monte Carlo” (LMC) method that isolates MC dose calculations only to volumes that have potential for dosimetric inaccuracy. In our approach, additional structures are created encompassing heterogeneous volumes. Deterministic methods calculate dose and energy fluence up to the volume surfaces, where the energy fluence distribution is sampled into discrete histories and transported using MC. Histories exiting the volume are converted back into energy fluence, and transported deterministically. By matching boundary conditions at both interfaces, deterministic dose calculation account for dose perturbations “downstream” of localized heterogeneities. Hybrid dose calculation was performed for water and anthropomorphic phantoms. Results: We achieved <1% agreement between deterministic and MC calculations in the water benchmark for photon and proton beams, and dose differences of 2%–15% could be observed in heterogeneous phantoms. The saving in computational time (a factor ∼4–7 compared to a full Monte Carlo dose calculation) was found to be approximately proportional to the volume of the heterogeneous region. Conclusion: Our hybrid dose calculation approach takes advantage of the computational efficiency of deterministic method and accuracy of MC, providing a practical tool for high

  6. Accurate Monte Carlo modeling of cyclotrons for optimization of shielding and activation calculations in the biomedical field

    Science.gov (United States)

    Infantino, Angelo; Marengo, Mario; Baschetti, Serafina; Cicoria, Gianfranco; Longo Vaschetto, Vittorio; Lucconi, Giulia; Massucci, Piera; Vichi, Sara; Zagni, Federico; Mostacci, Domiziano

    2015-11-01

    Biomedical cyclotrons for production of Positron Emission Tomography (PET) radionuclides and radiotherapy with hadrons or ions are widely diffused and established in hospitals as well as in industrial facilities and research sites. Guidelines for site planning and installation, as well as for radiation protection assessment, are given in a number of international documents; however, these well-established guides typically offer analytic methods of calculation of both shielding and materials activation, in approximate or idealized geometry set up. The availability of Monte Carlo codes with accurate and up-to-date libraries for transport and interactions of neutrons and charged particles at energies below 250 MeV, together with the continuously increasing power of nowadays computers, makes systematic use of simulations with realistic geometries possible, yielding equipment and site specific evaluation of the source terms, shielding requirements and all quantities relevant to radiation protection. In this work, the well-known Monte Carlo code FLUKA was used to simulate two representative models of cyclotron for PET radionuclides production, including their targetry; and one type of proton therapy cyclotron including the energy selection system. Simulations yield estimates of various quantities of radiological interest, including the effective dose distribution around the equipment, the effective number of neutron produced per incident proton and the activation of target materials, the structure of the cyclotron, the energy degrader, the vault walls and the soil. The model was validated against experimental measurements and comparison with well-established reference data. Neutron ambient dose equivalent H*(10) was measured around a GE PETtrace cyclotron: an average ratio between experimental measurement and simulations of 0.99±0.07 was found. Saturation yield of 18F, produced by the well-known 18O(p,n)18F reaction, was calculated and compared with the IAEA recommended

  7. Optimal auxiliary Hamiltonians for truncated boson-space calculations by means of a maximal-decoupling variational principle

    International Nuclear Information System (INIS)

    Li, C.

    1991-01-01

    A new method based on a maximal-decoupling variational principle is proposed to treat the Pauli-principle constraints for calculations of nuclear collective motion in a truncated boson space. The viability of the method is demonstrated through an application to the multipole form of boson Hamiltonians for the single-j and nondegenerate multi-j pairing interactions. While these boson Hamiltonians are Hermitian and contain only one- and two-boson terms, they are also the worst case for truncated boson-space calculations because they are not amenable to any boson truncations at all. By using auxiliary Hamiltonians optimally determined by the maximal-decoupling variational principle, however, truncations in the boson space become feasible and even yield reasonably accurate results. The method proposed here may thus be useful for doing realistic calculations of nuclear collective motion as well as for obtaining a viable interacting-boson-model type of boson Hamiltonian from the shell model

  8. Optimization and calculation of the MCl-ZnCl2 (M = Li, Na, K) phase diagrams

    International Nuclear Information System (INIS)

    Romero-Serrano, Antonio; Hernandez-Ramirez, Aurelio; Cruz-Ramirez, Alejandro; Hallen-Lopez, Manuel; Zeifert, Beatriz

    2010-01-01

    An earlier structural model for binary silicate melts and glasses is extended to zinc chloride-alkali metal chloride systems. The evaluation of the available thermodynamic and phase diagrams data for the MCl-ZnCl 2 (M = Li, Na, K) binary systems have been carried out using the structural model for the liquid phase. This thermodynamic model is based on the assumption that each alkali chloride produces the depolymerization of ZnCl 2 network with a characteristic free-energy change. A least-squares optimization program permits all available thermodynamic and phase diagram data to be optimized simultaneously. In this manner, data for these binary systems have been analysed and represented with a small number of parameters.

  9. Optimization of hydrocyclone geometry for ballast water treatment of crude oil ships; Otimizacao da geometria de hidrociclones para o tratamento de aguas de lastro de navios petroleiros

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Andre G.; Medronho, Ricardo A. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Escola de Quimica

    2004-07-01

    An oil ship when discharge its load, pumps water of the sea for its ballast tanks. This water has the function of maintaining balance, stability and the structural integrity, especially when the oil tank is empty of cargo. Thus, organisms and sediments presents in the water are pumped for the interior of the ballast tanks, being transferred from its natural habitat to another one. This may cause serious ecological unbalances. Hydrocyclone are very efficient and, as they produce high capacities, they seem to be appropriated for ballast water treatment. In this work, computational fluid dynamics (CFD) was used to optimize the geometry of a hydrocyclone, aiming to maximize the separation of the suspended solids present in seawater. A oil ship of 150,000 tons of gross cargo was used as a model. This ship has a ballast capacity of 45,000 m{sup 3} and requires 10 h for filling its ballast tanks. To ballast this ship it would be necessary a battery of 795 hydrocyclones in parallel, having each hydrocyclone a diameter of 8,5 cm. The simulation produced an total efficiency of 99% when treating suspended solids with sizes ranging from 10 to 2500 {mu}m, with a 1.06 g cm-3 density. (author)

  10. CSA C873 Building Energy Estimation Methodology - A simplified monthly calculation for quick building optimization

    NARCIS (Netherlands)

    Legault, A.; Scott, L.; Rosemann, A.L.P.; Hopkins, M.

    2014-01-01

    CSA C873 Building Energy Estimation Methodology (BEEM) is a new series of (10) standards that is intended to simplify building energy calculations. The standard is based upon the German DIN Standard 18599 that has 8 years of proven track record and has been modified for the Canadian market. The BEEM

  11. Analytic geometry

    CERN Document Server

    Burdette, A C

    1971-01-01

    Analytic Geometry covers several fundamental aspects of analytic geometry needed for advanced subjects, including calculus.This book is composed of 12 chapters that review the principles, concepts, and analytic proofs of geometric theorems, families of lines, the normal equation of the line, and related matters. Other chapters highlight the application of graphing, foci, directrices, eccentricity, and conic-related topics. The remaining chapters deal with the concept polar and rectangular coordinates, surfaces and curves, and planes.This book will prove useful to undergraduate trigonometric st

  12. Geometry Revealed

    CERN Document Server

    Berger, Marcel

    2010-01-01

    Both classical geometry and modern differential geometry have been active subjects of research throughout the 20th century and lie at the heart of many recent advances in mathematics and physics. The underlying motivating concept for the present book is that it offers readers the elements of a modern geometric culture by means of a whole series of visually appealing unsolved (or recently solved) problems that require the creation of concepts and tools of varying abstraction. Starting with such natural, classical objects as lines, planes, circles, spheres, polygons, polyhedra, curves, surfaces,

  13. Vector geometry

    CERN Document Server

    Robinson, Gilbert de B

    2011-01-01

    This brief undergraduate-level text by a prominent Cambridge-educated mathematician explores the relationship between algebra and geometry. An elementary course in plane geometry is the sole requirement for Gilbert de B. Robinson's text, which is the result of several years of teaching and learning the most effective methods from discussions with students. Topics include lines and planes, determinants and linear equations, matrices, groups and linear transformations, and vectors and vector spaces. Additional subjects range from conics and quadrics to homogeneous coordinates and projective geom

  14. Noncommutative geometry

    CERN Document Server

    Connes, Alain

    1994-01-01

    This English version of the path-breaking French book on this subject gives the definitive treatment of the revolutionary approach to measure theory, geometry, and mathematical physics developed by Alain Connes. Profusely illustrated and invitingly written, this book is ideal for anyone who wants to know what noncommutative geometry is, what it can do, or how it can be used in various areas of mathematics, quantization, and elementary particles and fields.Key Features* First full treatment of the subject and its applications* Written by the pioneer of this field* Broad applications in mathemat

  15. TH-CD-202-08: Feasibility Study of Planning Phase Optimization Using Patient Geometry-Driven Information for Better Dose Sparing of Organ at Risks

    Energy Technology Data Exchange (ETDEWEB)

    Kang, S; Kim, D; Kim, T; Park, S; Shin, D; Kim, K; Cho, M; Suh, T [Department of Biomedical Engineering and Research Institute of Biomedical Engineering, College of Medicine, The Catholic University of Korea, Seoul (Korea, Republic of); Kim, S [Virginia Commonwealth University, Richmond, VA (United States)

    2016-06-15

    Purpose: To propose a simple and effective cost value function to search optimal planning phase (gating window) and demonstrated its feasibility for respiratory correlated radiation therapy. Methods: We acquired 4DCT of 10 phases for 10 lung patients who have tumor located near OARs such as esophagus, heart, and spinal cord (i.e., central lung cancer patients). A simplified mathematical optimization function was established by using overlap volume histogram (OVH) between the target and organ at risk (OAR) at each phase and the tolerance dose of selected OARs to achieve surrounding OARs dose-sparing. For all patients and all phases, delineation of the target volume and selected OARs (esophagus, heart, and spinal cord) was performed (by one observer to avoid inter-observer variation), then cost values were calculated for all phases. After the breathing phases were ranked according to cost value function, the relationship between score and dose distribution at highest and lowest cost value phases were evaluated by comparing the mean/max dose. Results: A simplified mathematical cost value function showed noticeable difference from phase to phase, implying it is possible to find optimal phases for gating window. The lowest cost value which may result in lower mean/max dose to OARs was distributed at various phases for all patients. The mean doses of the OARs significantly decreased about 10% with statistical significance for all 3 OARs at the phase with the lowest cost value. Also, the max doses of the OARs were decreased about 2∼5% at the phase with the lowest cost value compared to the phase with the highest cost value. Conclusion: It is demonstrated that optimal phases (in dose distribution perspective) for gating window could exist differently through each patient and the proposed cost value function can be a useful tool for determining such phases without performing dose optimization calculations. This research was supported by the Mid-career Researcher Program

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

    Science.gov (United States)

    Jiang, Hong; Yang, Weitao

    2004-08-01

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

  17. Optimizing Discount Rates: Expressing Preferences for Sustainable Outcomes in Present Value Calculations

    OpenAIRE

    Axelrod, David

    2017-01-01

    This paper describes how the discount rate used in present value calculations expresses the preference for sustainability in decision making, and its implication for sustainable economic growth. In essence, the lower the discount rate, the greater the regard for the future, and the more likely we choose behaviors that lead to long-term sustainability. The theoretical framework combines behavioral economics and holonomics, which involve limitations of regard for the future due to constraints o...

  18. Orbital-optimized coupled-electron pair theory and its analytic gradients: Accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions

    Science.gov (United States)

    Bozkaya, Uǧur; Sherrill, C. David

    2013-08-01

    Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N6) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm-1) is fortuitously even better than that of CCSD(T) (50 cm-1), while the MAEs of CEPA(0) (184 cm-1) and CCSD (84 cm-1) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol-1, which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol-1), and comparing to MP2 (7.7 kcal mol-1) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is only 0.1 kcal

  19. Performance Improvement of the Core Protection Calculator System (CPCS) by Introducing Optimal Function Sets

    International Nuclear Information System (INIS)

    Won, Byung Hee; Kim, Kyung O; Kim, Jong Kyung; Kim, Soon Young

    2012-01-01

    The Core Protection Calculator System (CPCS) is an automated device which is adopted to inspect the safety parameters such as Departure from Nuclear Boiling Ratio (DNBR) and Local Power Density (LPD) during normal operation. One function of the CPCS is to predict the axial power distributions using function sets in cubic spline method. Another function of that is to impose penalty when the estimated distribution by the spline method disagrees with embedded data in CPCS (i.e., over 8%). In conventional CPCS, restricted function sets are used to synthesize axial power shape, whereby it occasionally can draw a disagreement between synthesized data and the embedded data. For this reason, the study on improvement for power distributions synthesis in CPCS has been conducted in many countries. In this study, many function sets (more than 18,000 types) differing from the conventional ones were evaluated in each power shape. Matlab code was used for calculating/arranging the numerous cases of function sets. Their synthesis performance was also evaluated through error between conventional data and consequences calculated by new function sets

  20. Optimal geometry and dimensions for the receiver of a parabolic solar concentrator with an angle of 90 degrees; Determiancion de la geometria y dimensiones optimas de un receptor para un concentrador solar paraboloidal con angulo de apertura de 90 grados

    Energy Technology Data Exchange (ETDEWEB)

    Estrada, Claudio A; Arancibia, Camilo [Centro de Investigacion en Energia UNAM, Temixco, Morelos (Mexico); Hernandez, Nestor [Centro Nacional de Investigacion y Desarrollo Tecnologico, Cuernavaca, Morelos (Mexico)

    2000-07-01

    The optimal geometry and dimensions for the receiver of a parabolic solar concentrator based on microwave communication antenna are obtained. First, the experiments for the determination of the angular error of the concentrator and the dimensions of its focal region are described. Results are also presented for the ray tracing study, from which the optimal characteristics of the receiver are obtained according to the experimental results. As the aluminum antenna has a rim angle of 90 Celsius degrees, it is necessary to use a cavity receiver to allow external as well as internal absorption of radiative flux. Cylindrical, conical and spherical geometric were considered, as well as combinations of them. The best results are achieved using a conical cavity. Its dimensions are calculated to maximize the radiative transfer efficiency from the aperture of the concentrator to the receiver. [Spanish] Se determinan la geometria y dimensiones optimas del receptor de un concentrador solar parabolico obtenido a partir de una antena de telecomunicaciones para microondas. Primeramente se describen los experimentos realizados para obtener el valor del error angular asociado al concentrador y de las dimensiones de su region focal. Tambien se presentan los resultados del estudio optico de trazado de rayos, que permitio determinar teoricamente las caracteristicas del receptor, de acuerdo a los resultados de los experimentos. Debido a que la antena de aluminio tiene un angulo de borde de 90 grados Celcius, es necesario usar un receptor tipo cavidad que permita la captacion de energia tanto interna como externa. Se consideraron geometrias cilindrica, conica, esferica y combinaciones entre ellas, resultando ser la conica la que da los mejores resultados. Las dimensiones del receptor fueron determinadas maximizando la eficiencia del transporte de radiacion de la apertura del concentrador al receptor.

  1. Projective Geometry

    Indian Academy of Sciences (India)

    mathematicians are trained to use very precise language, and so find it hard to simplify and state .... thing. If you take a plane on which there are two such triangles which enjoy the above ... within this geometry to simplify things if needed.

  2. Geometry -----------~--------------RESONANCE

    Indian Academy of Sciences (India)

    Parallel: A pair of lines in a plane is said to be parallel if they do not meet. Mathematicians were at war ... Subsequently, Poincare, Klein, Beltrami and others refined non-. Euclidean geometry. ... plane divides the plane into two half planes and.

  3. Improvement of personalized Monte Carlo-aided direct internal contamination monitoring: optimization of calculation times and measurement methodology for the establishment of activity distribution

    International Nuclear Information System (INIS)

    Farah, Jad

    2011-01-01

    To optimize the monitoring of female workers using in vivo spectrometry measurements, it is necessary to correct the typical calibration coefficients obtained with the Livermore male physical phantom. To do so, numerical calibrations based on the use of Monte Carlo simulations combined with anthropomorphic 3D phantoms were used. Such computational calibrations require on the one hand the development of representative female phantoms of different size and morphologies and on the other hand rapid and reliable Monte Carlo calculations. A library of female torso models was hence developed by fitting the weight of internal organs and breasts according to the body height and to relevant plastic surgery recommendations. This library was next used to realize a numerical calibration of the AREVA NC La Hague in vivo counting installation. Moreover, the morphology-induced counting efficiency variations with energy were put into equation and recommendations were given to correct the typical calibration coefficients for any monitored female worker as a function of body height and breast size. Meanwhile, variance reduction techniques and geometry simplification operations were considered to accelerate simulations. Furthermore, to determine the activity mapping in the case of complex contaminations, a method that combines Monte Carlo simulations with in vivo measurements was developed. This method consists of realizing several spectrometry measurements with different detector positioning. Next, the contribution of each contaminated organ to the count is assessed from Monte Carlo calculations. The in vivo measurements realized at LEDI, CIEMAT and KIT have demonstrated the effectiveness of the method and highlighted the valuable contribution of Monte Carlo simulations for a more detailed analysis of spectrometry measurements. Thus, a more precise estimate of the activity distribution is given in the case of an internal contamination. (author)

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  5. Introduction to combinatorial geometry

    International Nuclear Information System (INIS)

    Gabriel, T.A.; Emmett, M.B.

    1985-01-01

    The combinatorial geometry package as used in many three-dimensional multimedia Monte Carlo radiation transport codes, such as HETC, MORSE, and EGS, is becoming the preferred way to describe simple and complicated systems. Just about any system can be modeled using the package with relatively few input statements. This can be contrasted against the older style geometry packages in which the required input statements could be large even for relatively simple systems. However, with advancements come some difficulties. The users of combinatorial geometry must be able to visualize more, and, in some instances, all of the system at a time. Errors can be introduced into the modeling which, though slight, and at times hard to detect, can have devastating effects on the calculated results. As with all modeling packages, the best way to learn the combinatorial geometry is to use it, first on a simple system then on more complicated systems. The basic technique for the description of the geometry consists of defining the location and shape of the various zones in terms of the intersections and unions of geometric bodies. The geometric bodies which are generally included in most combinatorial geometry packages are: (1) box, (2) right parallelepiped, (3) sphere, (4) right circular cylinder, (5) right elliptic cylinder, (6) ellipsoid, (7) truncated right cone, (8) right angle wedge, and (9) arbitrary polyhedron. The data necessary to describe each of these bodies are given. As can be easily noted, there are some subsets included for simplicity

  6. Implementation of spot scanning dose optimization and dose calculation for helium ions in Hyperion

    Energy Technology Data Exchange (ETDEWEB)

    Fuchs, Hermann, E-mail: hermann.fuchs@meduniwien.ac.at [Department of Radiation Oncology, Division of Medical Radiation Physics, Medical University of Vienna/AKH Vienna, Vienna 1090, Austria and Christian Doppler Laboratory for Medical Radiation Research for Radiation Oncology, Medical University of Vienna, Vienna 1090 (Austria); Alber, Markus [Department for Oncology, Aarhus University Hospital, Aarhus 8000 (Denmark); Schreiner, Thomas [PEG MedAustron, Wiener Neustadt 2700 (Austria); Georg, Dietmar [Department of Radiation Oncology, Division of Medical Radiation Physics, Medical University of Vienna/AKH Vienna, Vienna 1090 (Austria); Christian Doppler Laboratory for Medical Radiation Research for Radiation Oncology, Medical University of Vienna, Vienna 1090 (Austria); Comprehensive Cancer Center, Medical University of Vienna/AKH Vienna, Vienna 1090 (Austria)

    2015-09-15

    Purpose: Helium ions ({sup 4}He) may supplement current particle beam therapy strategies as they possess advantages in physical dose distribution over protons. To assess potential clinical advantages, a dose calculation module accounting for relative biological effectiveness (RBE) was developed and integrated into the treatment planning system Hyperion. Methods: Current knowledge on RBE of {sup 4}He together with linear energy transfer considerations motivated an empirical depth-dependent “zonal” RBE model. In the plateau region, a RBE of 1.0 was assumed, followed by an increasing RBE up to 2.8 at the Bragg-peak region, which was then kept constant over the fragmentation tail. To account for a variable proton RBE, the same model concept was also applied to protons with a maximum RBE of 1.6. Both RBE models were added to a previously developed pencil beam algorithm for physical dose calculation and included into the treatment planning system Hyperion. The implementation was validated against Monte Carlo simulations within a water phantom using γ-index evaluation. The potential benefits of {sup 4}He based treatment plans were explored in a preliminary treatment planning comparison (against protons) for four treatment sites, i.e., a prostate, a base-of-skull, a pediatric, and a head-and-neck tumor case. Separate treatment plans taking into account physical dose calculation only or using biological modeling were created for protons and {sup 4}He. Results: Comparison of Monte Carlo and Hyperion calculated doses resulted in a γ{sub mean} of 0.3, with 3.4% of the values above 1 and γ{sub 1%} of 1.5 and better. Treatment plan evaluation showed comparable planning target volume coverage for both particles, with slightly increased coverage for {sup 4}He. Organ at risk (OAR) doses were generally reduced using {sup 4}He, some by more than to 30%. Improvements of {sup 4}He over protons were more pronounced for treatment plans taking biological effects into account. All

  7. PRELIMINARY STRUCTURAL OPTIMIZATION OF SOME FUMONISIN METABOLITES BY DENSITY FUNCTIONAL THEORY CALCULATION

    Directory of Open Access Journals (Sweden)

    István Bors

    2015-09-01

    Full Text Available Maize (Zea mays L. is often contaminated with Fusarium verticillioides. This harmful fungus produces fumonisins as secondary metabolites. These fumonisins can appear both free and hidden form in planta. The hidden form is usually bound covalently to cereal starch. From the hidden fumonisins, during enzymatic degradation, glycosides are formed, and the fumonisin is further decomposed during a de-esterification step. In this short communication some preliminary DFT calculated structural results which could be useful in the future to help to understand the van der Waals force controlled molecular interactions between these kinds of mycotoxin molecules and enzymes are demonstrated.

  8. Optimal systematics of single-humped fission barriers for statistical calculations

    International Nuclear Information System (INIS)

    Mashnik, S.G.

    1993-01-01

    A systematic comparison of the existing phenomenological approaches and models for describing single-humped fast-computing fission barriers are given. The experimental data on excitation energy dependence of the fissility of compound nuclei are analyzed in the framework of the statistical approach by using different models for fission barriers, shell and pairing corrections and level-density parameter in order to identify their reliability and region of applicability for Monte Carlo calculations of evaporative cascades. The energy dependence of fission cross-sections for reactions induced by intermediate energy protons has been analyzed in the framework of the cascade-exiton model. 53 refs., 15 figs., 3 tabs

  9. Implementation of spot scanning dose optimization and dose calculation for helium ions in Hyperion

    DEFF Research Database (Denmark)

    Fuchs, Hermann; Alber, Markus; Schreiner, Thomas

    2015-01-01

    PURPOSE: Helium ions ((4)He) may supplement current particle beam therapy strategies as they possess advantages in physical dose distribution over protons. To assess potential clinical advantages, a dose calculation module accounting for relative biological effectiveness (RBE) was developed...... published so far. The advantage of (4)He seems to lie in the reduction of dose to surrounding tissue and to OARs. Nevertheless, additional biological experiments and treatment planning studies with larger patient numbers and more tumor indications are necessary to study the possible benefits of helium ion...

  10. Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization

    Science.gov (United States)

    Seko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki; Tsuda, Koji; Chaput, Laurent; Tanaka, Isao

    2015-11-01

    Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease LTC. However, such trials have yielded successes only within a limited exploration space. Here, we report the virtual screening of a library containing 54 779 compounds. Our strategy is to search the library through Bayesian optimization using for the initial data the LTC obtained from first-principles anharmonic lattice-dynamics calculations for a set of 101 compounds. We discovered 221 materials with very low LTC. Two of them even have an electronic band gap <1 eV , which makes them exceptional candidates for thermoelectric applications. In addition to those newly discovered thermoelectric materials, the present strategy is believed to be powerful for many other applications in which the chemistry of materials is required to be optimized.

  11. Shield calculations, optimization vs. paradigm; Calculos de blindajes, optimizacion vs. paradigma

    Energy Technology Data Exchange (ETDEWEB)

    Cornejo D, N.; Hernandez S, A.; Martinez G, A. [Centro de Proteccion e Higiene de las Radiaciones, Calle 20 No. 4113 e/41 y 47 Playa C.P. 11300 LaHabana (Cuba)]. e-mail: nestor@cphr.edu.cu

    2006-07-01

    Many shieldings have been designed under the criteria of 'Maximum dose rates of project'. It has created the paradigm of those 'low dose rates', for the one which not few specialists would consider unacceptable levels of dose rate superior to the units of {mu}Sv.h{sup -1}, independently of the exposure times. At the present time numerous shieldings are being designed considering dose restrictions in real times of exposure. After these new shieldings, the dose rates could be notably superior to those after traditional shieldings, without it implies inadequate designs or constructive errors. In the work significant differences in levels of dose rates and thickness of shieldings estimated by both methods for some typical facilities. It was concluded that the use of real times of exposure is more adequate for the optimization of the Radiological Protection, although this method demands bigger care in its application. (Author)

  12. QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

    Science.gov (United States)

    Toropov, A A; Toropova, A P; Raska, I

    2008-04-01

    Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the following: n=17, R(2)=0.9841, s=0.634, F=931 (training set); n=7, R(2)=0.9928, s=0.773, F=690 (test set). Using this approach for modeling octanol/water partition coefficient for a set of organic compounds gives a model that is statistically characterized by n=69, R(2)=0.9872, s=0.156, F=5184 (training set) and n=70, R(2)=0.9841, s=0.179, F=4195 (test set).

  13. Lectures on discrete geometry

    CERN Document Server

    2002-01-01

    Discrete geometry investigates combinatorial properties of configurations of geometric objects. To a working mathematician or computer scientist, it offers sophisticated results and techniques of great diversity and it is a foundation for fields such as computational geometry or combinatorial optimization. This book is primarily a textbook introduction to various areas of discrete geometry. In each area, it explains several key results and methods, in an accessible and concrete manner. It also contains more advanced material in separate sections and thus it can serve as a collection of surveys in several narrower subfields. The main topics include: basics on convex sets, convex polytopes, and hyperplane arrangements; combinatorial complexity of geometric configurations; intersection patterns and transversals of convex sets; geometric Ramsey-type results; polyhedral combinatorics and high-dimensional convexity; and lastly, embeddings of finite metric spaces into normed spaces. Jiri Matousek is Professor of Com...

  14. Cost optimal building performance requirements. Calculation methodology for reporting on national energy performance requirements on the basis of cost optimality within the framework of the EPBD

    Energy Technology Data Exchange (ETDEWEB)

    Boermans, T.; Bettgenhaeuser, K.; Hermelink, A.; Schimschar, S. [Ecofys, Utrecht (Netherlands)

    2011-05-15

    On the European level, the principles for the requirements for the energy performance of buildings are set by the Energy Performance of Buildings Directive (EPBD). Dating from December 2002, the EPBD has set a common framework from which the individual Member States in the EU developed or adapted their individual national regulations. The EPBD in 2008 and 2009 underwent a recast procedure, with final political agreement having been reached in November 2009. The new Directive was then formally adopted on May 19, 2010. Among other clarifications and new provisions, the EPBD recast introduces a benchmarking mechanism for national energy performance requirements for the purpose of determining cost-optimal levels to be used by Member States for comparing and setting these requirements. The previous EPBD set out a general framework to assess the energy performance of buildings and required Member States to define maximum values for energy delivered to meet the energy demand associated with the standardised use of the building. However it did not contain requirements or guidance related to the ambition level of such requirements. As a consequence, building regulations in the various Member States have been developed by the use of different approaches (influenced by different building traditions, political processes and individual market conditions) and resulted in different ambition levels where in many cases cost optimality principles could justify higher ambitions. The EPBD recast now requests that Member States shall ensure that minimum energy performance requirements for buildings are set 'with a view to achieving cost-optimal levels'. The cost optimum level shall be calculated in accordance with a comparative methodology. The objective of this report is to contribute to the ongoing discussion in Europe around the details of such a methodology by describing possible details on how to calculate cost optimal levels and pointing towards important factors and

  15. Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data† †Electronic supplementary information (ESI) available: Results of similarity analysis between the 11 structures of lowest energy obtained in the AIRSS calculations and the reported structures of form III and form IV of m-ABA; unit cell parameters and volumes for all structures considered; comparison of 2θ values derived from the unit cell parameters of different structural models representing form III of m-ABA; Le Bail fitting of the experimental powder XRD pattern of form IV of m-ABA recorded at 70 K using, as the initial structural model, the reported crystal structure following geometry optimization; table of calculated (GIPAW) absolute isotropic NMR shieldings; simulated powder XRD data for the considered structures after precise geometry optimization; experimental 1H MAS NMR spectra of forms III and IV. (pdf) The calculated and experimental data for this study are provided as a supporting dataset from WRAP, the Warwick Research Archive Portal at http://wrap.warwick.ac.uk/91884. See DOI: 10.1039/c7cp04186a

    Science.gov (United States)

    Zilka, Miri; Dudenko, Dmytro V.; Hughes, Colan E.; Williams, P. Andrew; Sturniolo, Simone; Franks, W. Trent; Pickard, Chris J.

    2017-01-01

    This paper explores the capability of using the DFT-D ab initio random structure searching (AIRSS) method to generate crystal structures of organic molecular materials, focusing on a system (m-aminobenzoic acid; m-ABA) that is known from experimental studies to exhibit abundant polymorphism. Within the structural constraints selected for the AIRSS calculations (specifically, centrosymmetric structures with Z = 4 for zwitterionic m-ABA molecules), the method is shown to successfully generate the two known polymorphs of m-ABA (form III and form IV) that have these structural features. We highlight various issues that are encountered in comparing crystal structures generated by AIRSS to experimental powder X-ray diffraction (XRD) data and solid-state magic-angle spinning (MAS) NMR data, demonstrating successful fitting for some of the lowest energy structures from the AIRSS calculations against experimental low-temperature powder XRD data for known polymorphs of m-ABA, and showing that comparison of computed and experimental solid-state NMR parameters allows different hydrogen-bonding motifs to be discriminated. PMID:28944393

  16. DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.

    Science.gov (United States)

    Lagorce, David; Pencheva, Tania; Villoutreix, Bruno O; Miteva, Maria A

    2009-11-13

    Discovery of new bioactive molecules that could enter drug discovery programs or that could serve as chemical probes is a very complex and costly endeavor. Structure-based and ligand-based in silico screening approaches are nowadays extensively used to complement experimental screening approaches in order to increase the effectiveness of the process and facilitating the screening of thousands or millions of small molecules against a biomolecular target. Both in silico screening methods require as input a suitable chemical compound collection and most often the 3D structure of the small molecules has to be generated since compounds are usually delivered in 1D SMILES, CANSMILES or in 2D SDF formats. Here, we describe the new open source program DG-AMMOS which allows the generation of the 3D conformation of small molecules using Distance Geometry and their energy minimization via Automated Molecular Mechanics Optimization. The program is validated on the Astex dataset, the ChemBridge Diversity database and on a number of small molecules with known crystal structures extracted from the Cambridge Structural Database. A comparison with the free program Balloon and the well-known commercial program Omega generating the 3D of small molecules is carried out. The results show that the new free program DG-AMMOS is a very efficient 3D structure generator engine. DG-AMMOS provides fast, automated and reliable access to the generation of 3D conformation of small molecules and facilitates the preparation of a compound collection prior to high-throughput virtual screening computations. The validation of DG-AMMOS on several different datasets proves that generated structures are generally of equal quality or sometimes better than structures obtained by other tested methods.

  17. DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening

    Directory of Open Access Journals (Sweden)

    Villoutreix Bruno O

    2009-11-01

    Full Text Available Abstract Background Discovery of new bioactive molecules that could enter drug discovery programs or that could serve as chemical probes is a very complex and costly endeavor. Structure-based and ligand-based in silico screening approaches are nowadays extensively used to complement experimental screening approaches in order to increase the effectiveness of the process and facilitating the screening of thousands or millions of small molecules against a biomolecular target. Both in silico screening methods require as input a suitable chemical compound collection and most often the 3D structure of the small molecules has to be generated since compounds are usually delivered in 1D SMILES, CANSMILES or in 2D SDF formats. Results Here, we describe the new open source program DG-AMMOS which allows the generation of the 3D conformation of small molecules using Distance Geometry and their energy minimization via Automated Molecular Mechanics Optimization. The program is validated on the Astex dataset, the ChemBridge Diversity database and on a number of small molecules with known crystal structures extracted from the Cambridge Structural Database. A comparison with the free program Balloon and the well-known commercial program Omega generating the 3D of small molecules is carried out. The results show that the new free program DG-AMMOS is a very efficient 3D structure generator engine. Conclusion DG-AMMOS provides fast, automated and reliable access to the generation of 3D conformation of small molecules and facilitates the preparation of a compound collection prior to high-throughput virtual screening computations. The validation of DG-AMMOS on several different datasets proves that generated structures are generally of equal quality or sometimes better than structures obtained by other tested methods.

  18. Effect of boron and gadolinium concentration on the calculated neutron multiplication factor of U(3)O2 fuel pins in optimum geometries

    International Nuclear Information System (INIS)

    Thomas, J.T.

    1984-10-01

    The KENO-Va improved Monte Carlo criticality program is used to calculate the neutron multiplication factor for TMI-U2 fuel compositions in a variety of configurations and to display parametric regions giving rise to maximum reactivity contributions. The lattice pitch of UO 2 fuel pins producing a maximum k/sub eff/ is determined as a function of boron concentrations in the coolant for infinite and finite systems. The characteristics of U 3 O 8 -coolant mixtures of interest to modeling the rubble region of the core are presented. Several disrupted core configurations are calculated and comparisons made. The results should be useful to proposed defueling of the TMI-U2 reactor

  19. Special geometry

    International Nuclear Information System (INIS)

    Strominger, A.

    1990-01-01

    A special manifold is an allowed target manifold for the vector multiplets of D=4, N=2 supergravity. These manifolds are of interest for string theory because the moduli spaces of Calabi-Yau threefolds and c=9, (2,2) conformal field theories are special. Previous work has given a local, coordinate-dependent characterization of special geometry. A global description of special geometries is given herein, and their properties are studied. A special manifold M of complex dimension n is characterized by the existence of a holomorphic Sp(2n+2,R)xGL(1,C) vector bundle over M with a nowhere-vanishing holomorphic section Ω. The Kaehler potential on M is the logarithm of the Sp(2n+2,R) invariant norm of Ω. (orig.)

  20. Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Aktulga, Hasan Metin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Buluc, Aydin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2014-08-14

    Obtaining highly accurate predictions on the properties of light atomic nuclei using the configuration interaction (CI) approach requires computing a few extremal Eigen pairs of the many-body nuclear Hamiltonian matrix. In the Many-body Fermion Dynamics for nuclei (MFDn) code, a block Eigen solver is used for this purpose. Due to the large size of the sparse matrices involved, a significant fraction of the time spent on the Eigen value computations is associated with the multiplication of a sparse matrix (and the transpose of that matrix) with multiple vectors (SpMM and SpMM-T). Existing implementations of SpMM and SpMM-T significantly underperform expectations. Thus, in this paper, we present and analyze optimized implementations of SpMM and SpMM-T. We base our implementation on the compressed sparse blocks (CSB) matrix format and target systems with multi-core architectures. We develop a performance model that allows us to understand and estimate the performance characteristics of our SpMM kernel implementations, and demonstrate the efficiency of our implementation on a series of real-world matrices extracted from MFDn. In particular, we obtain 3-4 speedup on the requisite operations over good implementations based on the commonly used compressed sparse row (CSR) matrix format. The improvements in the SpMM kernel suggest we may attain roughly a 40% speed up in the overall execution time of the block Eigen solver used in MFDn.

  1. Optimizing the calculation of point source count-centroid in pixel size measurement

    International Nuclear Information System (INIS)

    Zhou Luyi; Kuang Anren; Su Xianyu

    2004-01-01

    Pixel size is an important parameter of gamma camera and SPECT. A number of methods are used for its accurate measurement. In the original count-centroid method, where the image of a point source (PS) is acquired and its count-centroid calculated to represent PS position in the image, background counts are inevitable. Thus the measured count-centroid (X m ) is an approximation of the true count-centroid (X p ) of the PS, i.e. X m =X p + (X b -X p )/(1+R p /R b ), where Rp is the net counting rate of the PS, X b the background count-centroid and Rb the background counting. To get accurate measurement, R p must be very big, which is unpractical, resulting in the variation of measured pixel size. R p -independent calculation of PS count-centroid is desired. Methods: The proposed method attempted to eliminate the effect of the term (X b -X p )/(1 + R p /R b ) by bringing X b closer to X p and by reducing R b . In the acquired PS image, a circular ROI was generated to enclose the PS, the pixel with the maximum count being the center of the ROI. To choose the diameter (D) of the ROI, a Gaussian count distribution was assumed for the PS, accordingly, K=1-(0.5) D/R percent of the total PS counts was in the ROI, R being the full width at half maximum of the PS count distribution. D was set to be 6*R to enclose most (K=98.4%) of the PS counts. The count-centroid of the ROI was calculated to represent X p . The proposed method was tested in measuring the pixel size of a well-tuned SPECT, whose pixel size was estimated to be 3.02 mm according to its mechanical and electronic setting (128 x 128 matrix, 387 mm UFOV, ZOOM=1). For comparison, the original method, which was use in the former versions of some commercial SPECT software, was also tested. 12 PSs were prepared and their image acquired and stored. The net counting rate of the PSs increased from 10 cps to 1183 cps. Results: Using the proposed method, the measured pixel size (in mm) varied only between 3.00 and 3.01 (mean

  2. Optimizing the calculation of point source count-centroid in pixel size measurement

    International Nuclear Information System (INIS)

    Zhou Luyi; Kuang Anren; Su Xianyu

    2004-01-01

    Purpose: Pixel size is an important parameter of gamma camera and SPECT. A number of Methods are used for its accurate measurement. In the original count-centroid method, where the image of a point source(PS) is acquired and its count-centroid calculated to represent PS position in the image, background counts are inevitable. Thus the measured count-centroid (Xm) is an approximation of the true count-centroid (Xp) of the PS, i.e. Xm=Xp+(Xb-Xp)/(1+Rp/Rb), where Rp is the net counting rate of the PS, Xb the background count-centroid and Rb the background counting rate. To get accurate measurement, Rp must be very big, which is unpractical, resulting in the variation of measured pixel size. Rp-independent calculation of PS count-centroid is desired. Methods: The proposed method attempted to eliminate the effect of the term (Xb-Xp)/(1+Rp/Rb) by bringing Xb closer to Xp and by reducing Rb. In the acquired PS image, a circular ROI was generated to enclose the PS, the pixel with the maximum count being the center of the ROI. To choose the diameter (D) of the ROI, a Gaussian count distribution was assumed for the PS, accordingly, K=I-(0.5)D/R percent of the total PS counts was in the ROI, R being the full width at half maximum of the PS count distribution. D was set to be 6*R to enclose most (K=98.4%) of the PS counts. The count-centroid of the ROI was calculated to represent Xp. The proposed method was tested in measuring the pixel size of a well-tuned SPECT, whose pixel size was estimated to be 3.02 mm according to its mechanical and electronic setting (128*128 matrix, 387 mm UFOV, ZOOM=1). For comparison, the original method, which was use in the former versions of some commercial SPECT software, was also tested. 12 PSs were prepared and their image acquired and stored. The net counting rate of the PSs increased from 10cps to 1183cps. Results: Using the proposed method, the measured pixel size (in mm) varied only between 3.00 and 3.01( mean= 3.01±0.00) as Rp increased

  3. Optimized negative dimensional integration method (NDIM) and multiloop Feynman diagram calculation

    International Nuclear Information System (INIS)

    Gonzalez, Ivan; Schmidt, Ivan

    2007-01-01

    We present an improved form of the integration technique known as NDIM (negative dimensional integration method), which is a powerful tool in the analytical evaluation of Feynman diagrams. Using this technique we study a φ 3 +φ 4 theory in D=4-2ε dimensions, considering generic topologies of L loops and E independent external momenta, and where the propagator powers are arbitrary. The method transforms the Schwinger parametric integral associated to the diagram into a multiple series expansion, whose main characteristic is that the argument contains several Kronecker deltas which appear naturally in the application of the method, and which we call diagram presolution. The optimization we present here consists in a procedure that minimizes the series multiplicity, through appropriate factorizations in the multinomials that appear in the parametric integral, and which maximizes the number of Kronecker deltas that are generated in the process. The solutions are presented in terms of generalized hypergeometric functions, obtained once the Kronecker deltas have been used in the series. Although the technique is general, we apply it to cases in which there are 2 or 3 different energy scales (masses or kinematic variables associated to the external momenta), obtaining solutions in terms of a finite sum of generalized hypergeometric series 1 and 2 variables respectively, each of them expressible as ratios between the different energy scales that characterize the topology. The main result is a method capable of solving Feynman integrals, expressing the solutions as hypergeometric series of multiplicity (n-1), where n is the number of energy scales present in the diagram

  4. 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.

  5. Improving the calculated core stability by the core nuclear design optimization

    International Nuclear Information System (INIS)

    Partanen, P.

    1995-01-01

    Three different equilibrium core loadings for TVO II reactor have been generated in order to improve the core stability properties at uprated power level. The reactor thermal power is assumed to be uprated from 2160 MW th to 2500 MW th , which moves the operating point after a rapid pump rundown where the core stability has been calculated from 1340 MW th and 3200 kg/s to 1675 MW th and 4000 kg/s. The core has been refuelled with ABB Atom Svea-100 -fuel, which has 3,64% w/o U-235 average enrichment in the highly enriched zone. PHOENIX lattice code has been used to provide the homogenized nuclear constants. POLCA4 static core simulator has been used for core loadings and cycle simulations and RAMONA-3B program for simulating the dynamic response to the disturbance for which the stability behaviour has been evaluated. The core decay ratio has been successfully reduced from 0,83 to 0,55 mainly by reducing the power peaking factors. (orig.) (7 figs., 1 tab.)

  6. General Geometry and Geometry of Electromagnetism

    OpenAIRE

    Shahverdiyev, Shervgi S.

    2002-01-01

    It is shown that Electromagnetism creates geometry different from Riemannian geometry. General geometry including Riemannian geometry as a special case is constructed. It is proven that the most simplest special case of General Geometry is geometry underlying Electromagnetism. Action for electromagnetic field and Maxwell equations are derived from curvature function of geometry underlying Electromagnetism. And it is shown that equation of motion for a particle interacting with electromagnetic...

  7. Optimal Decision Rules in Repeated Games Where Players Infer an Opponent’s Mind via Simplified Belief Calculation

    Directory of Open Access Journals (Sweden)

    Mitsuhiro Nakamura

    2016-07-01

    Full Text Available In strategic situations, humans infer the state of mind of others, e.g., emotions or intentions, adapting their behavior appropriately. Nonetheless, evolutionary studies of cooperation typically focus only on reaction norms, e.g., tit for tat, whereby individuals make their next decisions by only considering the observed outcome rather than focusing on their opponent’s state of mind. In this paper, we analyze repeated two-player games in which players explicitly infer their opponent’s unobservable state of mind. Using Markov decision processes, we investigate optimal decision rules and their performance in cooperation. The state-of-mind inference requires Bayesian belief calculations, which is computationally intensive. We therefore study two models in which players simplify these belief calculations. In Model 1, players adopt a heuristic to approximately infer their opponent’s state of mind, whereas in Model 2, players use information regarding their opponent’s previous state of mind, obtained from external evidence, e.g., emotional signals. We show that players in both models reach almost optimal behavior through commitment-like decision rules by which players are committed to selecting the same action regardless of their opponent’s behavior. These commitment-like decision rules can enhance or reduce cooperation depending on the opponent’s strategy.

  8. A fast method for calculating reliable event supports in tree reconciliations via Pareto optimality.

    Science.gov (United States)

    To, Thu-Hien; Jacox, Edwin; Ranwez, Vincent; Scornavacca, Celine

    2015-11-14

    Given a gene and a species tree, reconciliation methods attempt to retrieve the macro-evolutionary events that best explain the discrepancies between the two tree topologies. The DTL parsimonious approach searches for a most parsimonious reconciliation between a gene tree and a (dated) species tree, considering four possible macro-evolutionary events (speciation, duplication, transfer, and loss) with specific costs. Unfortunately, many events are erroneously predicted due to errors in the input trees, inappropriate input cost values or because of the existence of several equally parsimonious scenarios. It is thus crucial to provide a measure of the reliability for predicted events. It has been recently proposed that the reliability of an event can be estimated via its frequency in the set of most parsimonious reconciliations obtained using a variety of reasonable input cost vectors. To compute such a support, a straightforward but time-consuming approach is to generate the costs slightly departing from the original ones, independently compute the set of all most parsimonious reconciliations for each vector, and combine these sets a posteriori. Another proposed approach uses Pareto-optimality to partition cost values into regions which induce reconciliations with the same number of DTL events. The support of an event is then defined as its frequency in the set of regions. However, often, the number of regions is not large enough to provide reliable supports. We present here a method to compute efficiently event supports via a polynomial-sized graph, which can represent all reconciliations for several different costs. Moreover, two methods are proposed to take into account alternative input costs: either explicitly providing an input cost range or allowing a tolerance for the over cost of a reconciliation. Our methods are faster than the region based method, substantially faster than the sampling-costs approach, and have a higher event-prediction accuracy on

  9. Optimal definition of inter-residual contact in globular proteins based on pairwise interaction energy calculations, its robustness, and applications.

    Science.gov (United States)

    Fačkovec, Boris; Vondrášek, Jiří

    2012-10-25

    Although a contact is an essential measurement for the topology as well as strength of non-covalent interactions in biomolecules and their complexes, there is no general agreement in the definition of this feature. Most of the definitions work with simple geometric criteria which do not fully reflect the energy content or ability of the biomolecular building blocks to arrange their environment. We offer a reasonable solution to this problem by distinguishing between "productive" and "non-productive" contacts based on their interaction energy strength and properties. We have proposed a method which converts the protein topology into a contact map that represents interactions with statistically significant high interaction energies. We do not prove that these contacts are exclusively stabilizing, but they represent a gateway to thermodynamically important rather than geometry-based contacts. The process is based on protein fragmentation and calculation of interaction energies using the OPLS force field and relies on pairwise additivity of amino acid interactions. Our approach integrates the treatment of different types of interactions, avoiding the problems resulting from different contributions to the overall stability and the different effect of the environment. The first applications on a set of homologous proteins have shown the usefulness of this classification for a sound estimate of protein stability.

  10. The Adsorption Geometry and Electronic Structure of Organic Dye Molecule on TiO2(101 Surface from First Principles Calculations

    Directory of Open Access Journals (Sweden)

    Niu Mang

    2017-01-01

    Full Text Available Using density functional theory (DFT, we have investigated the structural and electronic properties of dye-sensitized solar cells (DSSCs comprised of I-doped anatase TiO2(101 surface sensitized with NKX-2554 dye. The calculation results indicate that the cyanoacrylic acid anchoring group in NKX-2554 has a strong binding to the TiO2(101 surface. The dissociative and bidentate bridging type was found to be the most favorable adsorption configuration. On the other hand, the incorporations of I dopant can reduce the band gap of TiO2 photoanode and improve the of NKX-2554 dye, which can improve the visible-light absorption of anatase TiO2 and can also facilitate the electron injection from the dye molecule to the TiO2 substrate. As a result, the I doping can significantly enhance the incident photon-to-current conversion efficiency (IPCE of DSSCs.

  11. Differential geometry

    CERN Document Server

    Ciarlet, Philippe G

    2007-01-01

    This book gives the basic notions of differential geometry, such as the metric tensor, the Riemann curvature tensor, the fundamental forms of a surface, covariant derivatives, and the fundamental theorem of surface theory in a selfcontained and accessible manner. Although the field is often considered a classical one, it has recently been rejuvenated, thanks to the manifold applications where it plays an essential role. The book presents some important applications to shells, such as the theory of linearly and nonlinearly elastic shells, the implementation of numerical methods for shells, and

  12. Calculation of the Target Lumbar Lordosis Angle for Restoring an Optimal Pelvic Tilt in Elderly Patients With Adult Spinal Deformity.

    Science.gov (United States)

    Yamato, Yu; Hasegawa, Tomohiko; Kobayashi, Sho; Yasuda, Tatsuya; Togawa, Daisuke; Arima, Hideyuki; Oe, Shin; Iida, Takahiro; Matsumura, Akira; Hosogane, Naobumi; Matsumoto, Morio; Matsuyama, Yukihiro

    2016-02-01

    This investigation consisted of a cross-sectional study and a retrospective multicenter case series. This investigation sought to identify the ideal lumbar lordosis (LL) angle for restoring an optimal pelvic tilt (PT) in patients with adult spinal deformity (ASD). To achieve successful corrective fusion in ASD patients with sagittal imbalance, it is essential to correct the sagittal spinal alignment and obtain a suitable pelvic inclination. We determined the LL angle that would restore the optimal PT following ASD surgery. The cross-sectional study included 184 elderly volunteers (mean age 64 years) with an Oswestry Disability Index score less than 20%. The relationship between PT or LL and the pelvic incidence (PI) in normal individuals was investigated. The second study included 116 ASD patients (mean age 66 years) who underwent thoracolumbar corrective fusion at 1 of 4 spine centers. The postoperative PT values were calculated using the parameters measured. On the basis of these studies, an ideal LL angle was determined. In the cross-sectional study, the linear regression equation for the optimal PT as a function of PI was "optimal PT = 0.47 × PI - 7.5." In the second study, the postoperative PT was determined as a function of PI and corrected LL, using the equation "postoperative PT = 0.7 × PI - 0.5 × corrected LL + 8.1." The target LL angle was determined by mathematically equalizing the PTs of these 2 equations: "target LL = 0.45 × PI + 31.8." The ideal LL angle can be determined using the equation "LL = 0.45 × PI + 31.8," which can be used as a reference during surgical planning in ASD cases. 4.

  13. SU-E-J-113: The Influence of Optimizing Pediatric CT Simulator Protocols On the Treatment Dose Calculation in Radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Y; Zhang, J; Hu, Q; Tie, J; Wu, H [Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Department of Radiotherapy, Peking University Cancer Hospital ' Institute, Beijing (China); Deng, J [Department of Therapeutic Radiology, Yale University, New Haven, CT (United States)

    2014-06-01

    Purpose: To investigate the possibility of applying optimized scanning protocols for pediatric CT simulation by quantifying the dosimetric inaccuracy introduced by using a fixed HU to density conversion. Methods: The images of a CIRS electron density reference phantom (Model 062) were acquired by a Siemens CT simulator (Sensation Open) using the following settings of tube voltage and beam current: 120 kV/190mA (the reference protocol used to calibrate CT for our treatment planning system (TPS)); Fixed 190mA combined with all available kV: 80, 100, and 140; fixed 120 kV and various current from 37 to 444 mA (scanner extremes) with interval of 30 mA. To avoid the HU uncertainty of point sampling in the various inserts of known electron densities, the mean CT numbers of the central cylindrical volume were calculated using DICOMan software. The doses per 100 MU to the reference point (SAD=100cm, Depth=10cm, Field=10X10cm, 6MV photon beam) in a virtual cubic phantom (30X30X30cm) were calculated using Eclipse TPS (calculation model: AcurosXB-11031) by assigning the CT numbers to HU of typical materials acquired by various protocols. Results: For the inserts of densities less than muscle, CT number fluctuations of all protocols were within the tolerance of 10 HU as accepted by AAPM-TG66. For more condensed materials, fixed kV yielded stable HU with any mA combination where largest disparities were found in 1750mg/cc insert: HU{sub reference}=1801(106.6cGy), HU{sub minimum}=1799 (106.6cGy, error{sub dose}=0.00%), HU{sub maximum}=1815 (106.8cGy, error{sub dose}=0.19%). Yet greater disagreements were observed with increasing density when kV was modified: HU{sub minimum}=1646 (104.5cGy, error{sub dose}=- 1.97%), HU{sub maximum}=2487 (116.4cGy, error{sub dose}=9.19%) in 1750mg/cc insert. Conclusion: Without affecting treatment dose calculation, personalized mA optimization of CT simulator can be conducted by fixing kV for a better cost-effectiveness of imaging dose and quality

  14. SU-F-J-133: Adaptive Radiation Therapy with a Four-Dimensional Dose Calculation Algorithm That Optimizes Dose Distribution Considering Breathing Motion

    Energy Technology Data Exchange (ETDEWEB)

    Ali, I; Algan, O; Ahmad, S [University of Oklahoma Health Sciences, Oklahoma City, OK (United States); Alsbou, N [University of Central Oklahoma, Edmond, OK (United States)

    2016-06-15

    Purpose: To model patient motion and produce four-dimensional (4D) optimized dose distributions that consider motion-artifacts in the dose calculation during the treatment planning process. Methods: An algorithm for dose calculation is developed where patient motion is considered in dose calculation at the stage of the treatment planning. First, optimal dose distributions are calculated for the stationary target volume where the dose distributions are optimized considering intensity-modulated radiation therapy (IMRT). Second, a convolution-kernel is produced from the best-fitting curve which matches the motion trajectory of the patient. Third, the motion kernel is deconvolved with the initial dose distribution optimized for the stationary target to produce a dose distribution that is optimized in four-dimensions. This algorithm is tested with measured doses using a mobile phantom that moves with controlled motion patterns. Results: A motion-optimized dose distribution is obtained from the initial dose distribution of the stationary target by deconvolution with the motion-kernel of the mobile target. This motion-optimized dose distribution is equivalent to that optimized for the stationary target using IMRT. The motion-optimized and measured dose distributions are tested with the gamma index with a passing rate of >95% considering 3% dose-difference and 3mm distance-to-agreement. If the dose delivery per beam takes place over several respiratory cycles, then the spread-out of the dose distributions is only dependent on the motion amplitude and not affected by motion frequency and phase. This algorithm is limited to motion amplitudes that are smaller than the length of the target along the direction of motion. Conclusion: An algorithm is developed to optimize dose in 4D. Besides IMRT that provides optimal dose coverage for a stationary target, it extends dose optimization to 4D considering target motion. This algorithm provides alternative to motion management

  15. Description of SSG Geometry - phase 1

    DEFF Research Database (Denmark)

    Margheritini, Lucia; Kofoed, Jens Peter

    The purpose of the study is to define the optimized geometry for the SSG in Svaheia, Norway and to provide the responsible for the turbines with useful information to their work.......The purpose of the study is to define the optimized geometry for the SSG in Svaheia, Norway and to provide the responsible for the turbines with useful information to their work....

  16. Optimizing the calculation of DM,CO and VC via the single breath single oxygen tension DLCO/NO method.

    Science.gov (United States)

    Coffman, Kirsten E; Taylor, Bryan J; Carlson, Alex R; Wentz, Robert J; Johnson, Bruce D

    2016-01-15

    Alveolar-capillary membrane conductance (D(M,CO)) and pulmonary-capillary blood volume (V(C)) are calculated via lung diffusing capacity for carbon monoxide (DL(CO)) and nitric oxide (DL(NO)) using the single breath, single oxygen tension (single-FiO2) method. However, two calculation parameters, the reaction rate of carbon monoxide with blood (θ(CO)) and the D(M,NO)/D(M,CO) ratio (α-ratio), are controversial. This study systematically determined optimal θ(CO) and α-ratio values to be used in the single-FiO2 method that yielded the most similar D(M,CO) and V(C) values compared to the 'gold-standard' multiple-FiO2 method. Eleven healthy subjects performed single breath DL(CO)/DL(NO) maneuvers at rest and during exercise. D(M,CO) and V(C) were calculated via the single-FiO2 and multiple-FiO2 methods by implementing seven θ(CO) equations and a range of previously reported α-ratios. The RP θ(CO) equation (Reeves, R.B., Park, H.K., 1992. Respiration Physiology 88 1-21) and an α-ratio of 4.0-4.4 yielded DM,CO and VC values that were most similar between methods. The RP θ(CO) equation and an experimental α-ratio should be used in future studies. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Optimizing the condenser and evaporator geometry in a refrigeration cycle; Optimisation de la geometrie du condenseur et de l'evaporateur d'un cycle de refrigeration

    Energy Technology Data Exchange (ETDEWEB)

    Allen, B.; Gosselin, L. [Laval Univ., Quebec City, PQ (Canada). Dept. of Mechanical Engineering

    2009-07-01

    Refrigeration is an important thermal process that is used for air conditioning in buildings, sports facilities and in food preservation. This paper presented a method to minimize the cost of evaporators and condensers in an ideal refrigeration cycle. The method takes into account the cost of purchasing the equipment as well as operating costs. Nine geometric variables were considered, and the fluid flow in the middle of the hot condenser was also optimized. A technique used to determine the cost of heat exchangers, combined with the use of a genetic algorithm, was used to quickly determine the optimal design elements in a refrigeration cycle in terms of operating cost and equipment purchase costs. 4 refs., 1 fig.

  18. Derivation of Reliable Geometries in QM Calculations of DNA Structures: Explicit Solvent QM/MM and Restrained Implicit Solvent QM Optimizations of G-Quadruplexes

    Czech Academy of Sciences Publication Activity Database

    Gkionis, Konstantinos; Kruse, Holger; Šponer, Jiří

    2016-01-01

    Roč. 12, č. 4 (2016), s. 2000-2016 ISSN 1549-9618 R&D Projects: GA ČR(CZ) GAP208/11/1822 Institutional support: RVO:68081707 Keywords : molecular-dynamics simulations * quantum-chemical computations * continuum solvation models Subject RIV: BO - Biophysics Impact factor: 5.245, year: 2016

  19. SU-D-BRD-01: Cloud-Based Radiation Treatment Planning: Performance Evaluation of Dose Calculation and Plan Optimization

    International Nuclear Information System (INIS)

    Na, Y; Kapp, D; Kim, Y; Xing, L; Suh, T

    2014-01-01

    Purpose: To report the first experience on the development of a cloud-based treatment planning system and investigate the performance improvement of dose calculation and treatment plan optimization of the cloud computing platform. Methods: A cloud computing-based radiation treatment planning system (cc-TPS) was developed for clinical treatment planning. Three de-identified clinical head and neck, lung, and prostate cases were used to evaluate the cloud computing platform. The de-identified clinical data were encrypted with 256-bit Advanced Encryption Standard (AES) algorithm. VMAT and IMRT plans were generated for the three de-identified clinical cases to determine the quality of the treatment plans and computational efficiency. All plans generated from the cc-TPS were compared to those obtained with the PC-based TPS (pc-TPS). The performance evaluation of the cc-TPS was quantified as the speedup factors for Monte Carlo (MC) dose calculations and large-scale plan optimizations, as well as the performance ratios (PRs) of the amount of performance improvement compared to the pc-TPS. Results: Speedup factors were improved up to 14.0-fold dependent on the clinical cases and plan types. The computation times for VMAT and IMRT plans with the cc-TPS were reduced by 91.1% and 89.4%, respectively, on average of the clinical cases compared to those with pc-TPS. The PRs were mostly better for VMAT plans (1.0 ≤ PRs ≤ 10.6 for the head and neck case, 1.2 ≤ PRs ≤ 13.3 for lung case, and 1.0 ≤ PRs ≤ 10.3 for prostate cancer cases) than for IMRT plans. The isodose curves of plans on both cc-TPS and pc-TPS were identical for each of the clinical cases. Conclusion: A cloud-based treatment planning has been setup and our results demonstrate the computation efficiency of treatment planning with the cc-TPS can be dramatically improved while maintaining the same plan quality to that obtained with the pc-TPS. This work was supported in part by the National Cancer Institute (1

  20. SU-D-BRD-01: Cloud-Based Radiation Treatment Planning: Performance Evaluation of Dose Calculation and Plan Optimization

    Energy Technology Data Exchange (ETDEWEB)

    Na, Y; Kapp, D; Kim, Y; Xing, L [Stanford University School of Medicine, Stanford, CA (United States); Suh, T [Catholic UniversityMedical College, Seoul, Seoul (Korea, Republic of)

    2014-06-01

    Purpose: To report the first experience on the development of a cloud-based treatment planning system and investigate the performance improvement of dose calculation and treatment plan optimization of the cloud computing platform. Methods: A cloud computing-based radiation treatment planning system (cc-TPS) was developed for clinical treatment planning. Three de-identified clinical head and neck, lung, and prostate cases were used to evaluate the cloud computing platform. The de-identified clinical data were encrypted with 256-bit Advanced Encryption Standard (AES) algorithm. VMAT and IMRT plans were generated for the three de-identified clinical cases to determine the quality of the treatment plans and computational efficiency. All plans generated from the cc-TPS were compared to those obtained with the PC-based TPS (pc-TPS). The performance evaluation of the cc-TPS was quantified as the speedup factors for Monte Carlo (MC) dose calculations and large-scale plan optimizations, as well as the performance ratios (PRs) of the amount of performance improvement compared to the pc-TPS. Results: Speedup factors were improved up to 14.0-fold dependent on the clinical cases and plan types. The computation times for VMAT and IMRT plans with the cc-TPS were reduced by 91.1% and 89.4%, respectively, on average of the clinical cases compared to those with pc-TPS. The PRs were mostly better for VMAT plans (1.0 ≤ PRs ≤ 10.6 for the head and neck case, 1.2 ≤ PRs ≤ 13.3 for lung case, and 1.0 ≤ PRs ≤ 10.3 for prostate cancer cases) than for IMRT plans. The isodose curves of plans on both cc-TPS and pc-TPS were identical for each of the clinical cases. Conclusion: A cloud-based treatment planning has been setup and our results demonstrate the computation efficiency of treatment planning with the cc-TPS can be dramatically improved while maintaining the same plan quality to that obtained with the pc-TPS. This work was supported in part by the National Cancer Institute (1

  1. Head First 2D Geometry

    CERN Document Server

    Fallow), Stray

    2009-01-01

    Having trouble with geometry? Do Pi, The Pythagorean Theorem, and angle calculations just make your head spin? Relax. With Head First 2D Geometry, you'll master everything from triangles, quads and polygons to the time-saving secrets of similar and congruent angles -- and it'll be quick, painless, and fun. Through entertaining stories and practical examples from the world around you, this book takes you beyond boring problems. You'll actually use what you learn to make real-life decisions, like using angles and parallel lines to crack a mysterious CSI case. Put geometry to work for you, and

  2. Electronic structure of crystalline uranium nitrides UN, U{sub 2}N{sub 3} and UN{sub 2}: LCAO calculations with the basis set optimization

    Energy Technology Data Exchange (ETDEWEB)

    Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V [Department of Quantum Chemistry, St. Petersburg State University, University Prospect 26, Stary Peterghof, St. Petersburg, 198504 (Russian Federation)], E-mail: re1973@re1973.spb.edu

    2008-06-01

    The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U{sub 2}N{sub 3} and UN{sub 2} are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U{sub 2}N{sub 3} crystals; UN{sub 2} crystal has the semiconducting nature.

  3. Electronic structure of crystalline uranium nitrides UN, U2N3 and UN2: LCAO calculations with the basis set optimization

    International Nuclear Information System (INIS)

    Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V

    2008-01-01

    The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U 2 N 3 and UN 2 are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U 2 N 3 crystals; UN 2 crystal has the semiconducting nature

  4. Optimization of cyclones geometry for sand pre-separation of petroleum production; Otimizacao de ciclone para a pre-separacao de areia na producao de petroleo

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Aline T. de [Chemtech, Rio de Janeiro, RJ (Brazil); Medronho, Ricardo A. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Escola de Quimica

    2008-07-01

    Sand production in petroleum holes is a critical problem in separation plants in petroleum platforms. Sand may cause severe erosion in valves and lines and its accumulation in main process devices may force stopping the process for cleaning. This may be responsible for huge production loses. In this work, the geometrical proportions of a cyclone with high efficiency for sand-gas separation. For that, experimental design was employed to select the geometries to be studied. The separation efficiency was obtained by Computational Fluid Dynamics technique, with the commercial software CFX, version 11.0. This tool numerically solves the conservation equations, which permits estimating fluid and particles trajectory inside the equipment. Then, it was possible to obtain a model and based on that to find the geometry that gives the best efficiency to the proposed service. (author)

  5. Incorporation of sweep in a transonic fan design using a 3D blade-row geometry package intended for aero-structural-manufacturing optimization

    OpenAIRE

    Abdelhamid, Hazen Fahmy

    1997-01-01

    Approved for public release; distribution is unlimited A new 3D blade row geometry package was developed and implemented. In the new representation the blade is described by six Bezier surfaces two of which represent the pressure and suction surfaces with sixteen points each. The leading and trailing edges are each represented by two Bezier surfaces. Only one extra parameter is required (in addition to the pressure and suction surfaces parameters) to define each of the leading and trailing...

  6. Patient-Specific MRI-Based Right Ventricle Models Using Different Zero-Load Diastole and Systole Geometries for Better Cardiac Stress and Strain Calculations and Pulmonary Valve Replacement Surgical Outcome Predictions.

    Directory of Open Access Journals (Sweden)

    Dalin Tang

    Full Text Available Accurate calculation of ventricular stress and strain is critical for cardiovascular investigations. Sarcomere shortening in active contraction leads to change of ventricular zero-stress configurations during the cardiac cycle. A new model using different zero-load diastole and systole geometries was introduced to provide more accurate cardiac stress/strain calculations with potential to predict post pulmonary valve replacement (PVR surgical outcome.Cardiac magnetic resonance (CMR data were obtained from 16 patients with repaired tetralogy of Fallot prior to and 6 months after pulmonary valve replacement (8 male, 8 female, mean age 34.5 years. Patients were divided into Group 1 (n = 8 with better post PVR outcome and Group 2 (n = 8 with worse post PVR outcome based on their change in RV ejection fraction (EF. CMR-based patient-specific computational RV/LV models using one zero-load geometry (1G model and two zero-load geometries (diastole and systole, 2G model were constructed and RV wall thickness, volume, circumferential and longitudinal curvatures, mechanical stress and strain were obtained for analysis. Pairwise T-test and Linear Mixed Effect (LME model were used to determine if the differences from the 1G and 2G models were statistically significant, with the dependence of the pair-wise observations and the patient-slice clustering effects being taken into consideration. For group comparisons, continuous variables (RV volumes, WT, C- and L- curvatures, and stress and strain values were summarized as mean ± SD and compared between the outcome groups by using an unpaired Student t-test. Logistic regression analysis was used to identify potential morphological and mechanical predictors for post PVR surgical outcome.Based on results from the 16 patients, mean begin-ejection stress and strain from the 2G model were 28% and 40% higher than that from the 1G model, respectively. Using the 2G model results, RV EF changes correlated negatively with

  7. Structural optimization and docking studies of anatoxin-a: A potent ...

    African Journals Online (AJOL)

    , structural properties and molecular interaction of anatoxin-a, a naturally occurring potent neurotoxin. The geometry of the anatoxin-a was fully optimized in terms of density functional theory Gaussian 09. Calculations for structural parameters ...

  8. Optimization of mechanical structures using particle swarm optimization

    International Nuclear Information System (INIS)

    Leite, Victor C.; Schirru, Roberto

    2015-01-01

    Several optimization problems are dealed with the particle swarm optimization (PSO) algorithm, there is a wide kind of optimization problems, it may be applications related to logistics or the reload of nuclear reactors. This paper discusses the use of the PSO in the treatment of problems related to mechanical structure optimization. The geometry and material characteristics of mechanical components are important for the proper functioning and performance of the systems were they are applied, particularly to the nuclear field. Calculations related to mechanical aspects are all made using ANSYS, while the PSO is programed in MATLAB. (author)

  9. Optimization of mechanical structures using particle swarm optimization

    Energy Technology Data Exchange (ETDEWEB)

    Leite, Victor C.; Schirru, Roberto, E-mail: victor.coppo.leite@lmp.ufrj.br [Coordenacao dos Programas de Pos-Graduacao em Engenharia (LMP/PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Lab. de Monitoracao de Processos

    2015-07-01

    Several optimization problems are dealed with the particle swarm optimization (PSO) algorithm, there is a wide kind of optimization problems, it may be applications related to logistics or the reload of nuclear reactors. This paper discusses the use of the PSO in the treatment of problems related to mechanical structure optimization. The geometry and material characteristics of mechanical components are important for the proper functioning and performance of the systems were they are applied, particularly to the nuclear field. Calculations related to mechanical aspects are all made using ANSYS, while the PSO is programed in MATLAB. (author)

  10. Numerical Calculation of Transport Based on the Drift Kinetic Equation for plasmas in General Toroidal Magnetic Geometry; Calculo Numerico del Transporte mediante la Ecuacion Cinetica de Deriva para Plasmas en Geometria Magnetica Toroidal: Preliminares

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-12-11

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

  11. Complex analysis and geometry

    CERN Document Server

    Silva, Alessandro

    1993-01-01

    The papers in this wide-ranging collection report on the results of investigations from a number of linked disciplines, including complex algebraic geometry, complex analytic geometry of manifolds and spaces, and complex differential geometry.

  12. Non-Riemannian geometry

    CERN Document Server

    Eisenhart, Luther Pfahler

    2005-01-01

    This concise text by a prominent mathematician deals chiefly with manifolds dominated by the geometry of paths. Topics include asymmetric and symmetric connections, the projective geometry of paths, and the geometry of sub-spaces. 1927 edition.

  13. Geometry of the Universe

    International Nuclear Information System (INIS)

    Gurevich, L.Eh.; Gliner, Eh.B.

    1978-01-01

    Problems of investigating the Universe space-time geometry are described on a popular level. Immediate space-time geometries, corresponding to three cosmologic models are considered. Space-time geometry of a closed model is the spherical Riemann geonetry, of an open model - is the Lobachevskij geometry; and of a plane model - is the Euclidean geometry. The Universe real geometry in the contemporary epoch of development is based on the data testifying to the fact that the Universe is infinitely expanding

  14. The influence of the isolating and the intermediate layer in the photovoltaic presentation of a M.I.S. structure calculation of optimal parameters

    International Nuclear Information System (INIS)

    Viktorovitch, P.; Kamarinos, G.; Even, P.

    1976-01-01

    A photovoltaic MIS structure is examined. The fundamental function of the isolating layer and the contribution of the intermidiate layer for efficiency improvement, are shown. The undertaking illustrates that there is an optimal thickness for the intermidiary layer. With the aid of basic equations, the thickness is calculated and the results are given for silicon. (ORU) [de

  15. Shape optimization of metal forming and forging products using the stress equivalent static loads calculated from a virtual model

    International Nuclear Information System (INIS)

    Jang, Hwan Hak; Jeong, Seong Beom; Park, Gyung Jin

    2012-01-01

    A shape optimization is proposed to obtain the desired final shape of forming and forging products in the manufacturing process. The final shape of a forming product depends on the shape parameters of the initial blank shape. The final shape of a forging product depends on the shape parameters of the billet shape. Shape optimization can be used to determine the shape of the blank and billet to obtain the appropriate final forming and forging products. The equivalent static loads method for non linear static response structural optimization (ESLSO) is used to perform metal forming and forging optimization since nonlinear dynamic analysis is required. Stress equivalent static loads (stress ESLs) are newly defined using a virtual model by redefining the value of the material properties. The examples in this paper show that optimization using the stress ESLs is quite useful and the final shapes of a forming and forging products are identical to the desired shapes

  16. Sums over geometries and improvements on the mean field approximation

    International Nuclear Information System (INIS)

    Sacksteder, Vincent E. IV

    2007-01-01

    The saddle points of a Lagrangian due to Efetov are analyzed. This Lagrangian was originally proposed as a tool for calculating systematic corrections to the Bethe approximation, a mean-field approximation which is important in statistical mechanics, glasses, coding theory, and combinatorial optimization. Detailed analysis shows that the trivial saddle point generates a sum over geometries reminiscent of dynamically triangulated quantum gravity, which suggests new possibilities to design sums over geometries for the specific purpose of obtaining improved mean-field approximations to D-dimensional theories. In the case of the Efetov theory, the dominant geometries are locally treelike, and the sum over geometries diverges in a way that is similar to quantum gravity's divergence when all topologies are included. Expertise from the field of dynamically triangulated quantum gravity about sums over geometries may be able to remedy these defects and fulfill the Efetov theory's original promise. The other saddle points of the Efetov Lagrangian are also analyzed; the Hessian at these points is nonnormal and pseudo-Hermitian, which is unusual for bosonic theories. The standard formula for Gaussian integrals is generalized to nonnormal kernels

  17. Optimizing the hydraulic program of cementing casing strings

    Energy Technology Data Exchange (ETDEWEB)

    Novakovic, M

    1984-01-01

    A technique is described for calculating the optimal parameters of the flow of plugging mud which takes into consideration the geometry of the annular space and the rheological characteristics of the muds. The optimization algorithm was illustrated by a block diagram. Examples are given for practical application of the optimization programs in production conditions. It is stressed that optimizing the hydraulic cementing program is effective if other technical-technological problems in cementing casing strings have been resolved.

  18. Contribution to the development of methods for nuclear reactor core calculations with APOLLO3 code: domain decomposition in transport theory with nonlinear diffusion acceleration for 2D and 3D geometries

    International Nuclear Information System (INIS)

    Lenain, Roland

    2015-01-01

    This thesis is devoted to the implementation of a domain decomposition method applied to the neutron transport equation. The objective of this work is to access high-fidelity deterministic solutions to properly handle heterogeneities located in nuclear reactor cores, for problems' size ranging from color-sets of assemblies to large reactor cores configurations in 2D and 3D. The innovative algorithm developed during the thesis intends to optimize the use of parallelism and memory. The approach also aims to minimize the influence of the parallel implementation on the performances. These goals match the needs of APOLLO3 project, developed at CEA and supported by EDF and AREVA, which must be a portable code (no optimization on a specific architecture) in order to achieve best estimate modeling with resources ranging from personal computer to compute cluster available for engineers analyses. The proposed algorithm is a Parallel Multigroup-Block Jacobi one. Each sub-domain is considered as a multi-group fixed-source problem with volume-sources (fission) and surface-sources (interface flux between the sub-domains). The multi-group problem is solved in each sub-domain and a single communication of the interface flux is required at each power iteration. The spectral radius of the resolution algorithm is made similar to the one of a classical resolution algorithm with a nonlinear diffusion acceleration method: the well-known Coarse Mesh Finite Difference. In this way an ideal scalability is achievable when the calculation is parallelized. The memory organization, taking advantage of shared memory parallelism, optimizes the resources by avoiding redundant copies of the data shared between the sub-domains. Distributed memory architectures are made available by a hybrid parallel method that combines both paradigms of shared memory parallelism and distributed memory parallelism. For large problems, these architectures provide a greater number of processors and the amount of

  19. Securing Victory or Not? Surrendering Optimal Play when Facing Simple Calculations -A Natural Experiment from the Swedish and US Jeopardy

    OpenAIRE

    Säve-Söderbergh , Jenny Charlotta; Sjögren Lindquist , Gabriella

    2011-01-01

    Abstract This paper empirically investigates the common assumption of economic agents? capabilities to process complex mathematical problems to find optimal strategies applied in economic modeling. By exploiting a design difference in the game show Jeopardy between the U.S. and Sweden we obtain a natural experiment of individuals facing an optimization decision either having explicit information or deriving it by non-complex adding and subtracting. Given the assumption that individ...

  20. Loading pattern calculated by inverse optimization vs traditional dosimetry systems of intracavitary brachytherapy of cervical cancer: a dosimetric study

    International Nuclear Information System (INIS)

    Jamema, S.V.; Deshpande, D.D.; Kirisits, C.; Trnkova, P.; Poetter, R.; Mahantshetty, U.; Shrivastava, S.K.; Dinshaw, K.A.

    2008-01-01

    In the recent past, inverse planning algorithms were introduced for intracavitary brachytherapy planning (ICBT) for cervical cancer. The loading pattern of these algorithms in comparison with traditional systems may not be similar. The purpose of this study was to objectively compare the loading patterns of traditional systems with the inverse optimization. Based on the outcome of the comparison, an attempt was made to obtain a loading pattern that takes into account the experience made with the inverse optimization

  1. The Adjoint Method for The Optimization of Brachytherapy and Radiotherapy Patient Treatment Planning Procedures Using Monte Carlo Calculations

    International Nuclear Information System (INIS)

    Henderson, D.L.; Yoo, S.; Kowalok, M.; Mackie, T.R.; Thomadsen, B.R.

    2001-01-01

    The goal of this project is to investigate the use of the adjoint method, commonly used in the reactor physics community, for the optimization of radiation therapy patient treatment plans. Two different types of radiation therapy are being examined, interstitial brachytherapy and radiotherapy. In brachytherapy radioactive sources are surgically implanted within the diseased organ such as the prostate to treat the cancerous tissue. With radiotherapy, the x-ray source is usually located at a distance of about 1-meter from the patient and focused on the treatment area. For brachytherapy the optimization phase of the treatment plan consists of determining the optimal placement of the radioactive sources, which delivers the prescribed dose to the disease tissue while simultaneously sparing (reducing) the dose to sensitive tissue and organs. For external beam radiation therapy the optimization phase of the treatment plan consists of determining the optimal direction and intensity of beam, which provides complete coverage of the tumor region with the prescribed dose while simultaneously avoiding sensitive tissue areas. For both therapy methods, the optimal treatment plan is one in which the diseased tissue has been treated with the prescribed dose and dose to the sensitive tissue and organs has been kept to a minimum

  2. DOGBONE GEOMETRY FOR RECIRCULATING ACCELERATORS

    International Nuclear Information System (INIS)

    BERG, J.S.; JOHNSTONE, C.; SUMMERS, D.

    2001-01-01

    Most scenarios for accelerating muons require recirculating acceleration. A racetrack shape for the accelerator requires particles with lower energy in early passes to traverse almost the same length of arc as particles with the highest energy. This extra arc length may lead to excess decays and excess cost. Changing the geometry to a dogbone shape, where there is a single linac and the beam turns completely around at the end of the linac, returning to the same end of the linac from which it exited, addresses this problem. In this design, the arc lengths can be proportional to the particle's momentum. This paper proposes an approximate cost model for a recirculating accelerator, attempts to make cost-optimized designs for both racetrack and dogbone geometries, and demonstrates that the dogbone geometry does appear to be more cost effective

  3. MOCUM: A two-dimensional method of characteristics code based on constructive solid geometry and unstructured meshing for general geometries

    International Nuclear Information System (INIS)

    Yang Xue; Satvat, Nader

    2012-01-01

    Highlight: ► A two-dimensional numerical code based on the method of characteristics is developed. ► The complex arbitrary geometries are represented by constructive solid geometry and decomposed by unstructured meshing. ► Excellent agreement between Monte Carlo and the developed code is observed. ► High efficiency is achieved by parallel computing. - Abstract: A transport theory code MOCUM based on the method of characteristics as the flux solver with an advanced general geometry processor has been developed for two-dimensional rectangular and hexagonal lattice and full core neutronics modeling. In the code, the core structure is represented by the constructive solid geometry that uses regularized Boolean operations to build complex geometries from simple polygons. Arbitrary-precision arithmetic is also used in the process of building geometry objects to eliminate the round-off error from the commonly used double precision numbers. Then, the constructed core frame will be decomposed and refined into a Conforming Delaunay Triangulation to ensure the quality of the meshes. The code is fully parallelized using OpenMP and is verified and validated by various benchmarks representing rectangular, hexagonal, plate type and CANDU reactor geometries. Compared with Monte Carlo and deterministic reference solution, MOCUM results are highly accurate. The mentioned characteristics of the MOCUM make it a perfect tool for high fidelity full core calculation for current and GenIV reactor core designs. The detailed representation of reactor physics parameters can enhance the safety margins with acceptable confidence levels, which lead to more economically optimized designs.

  4. 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.

  5. Calculating and controlling the error of discrete representations of Pareto surfaces in convex multi-criteria optimization.

    Science.gov (United States)

    Craft, David

    2010-10-01

    A discrete set of points and their convex combinations can serve as a sparse representation of the Pareto surface in multiple objective convex optimization. We develop a method to evaluate the quality of such a representation, and show by example that in multiple objective radiotherapy planning, the number of Pareto optimal solutions needed to represent Pareto surfaces of up to five dimensions grows at most linearly with the number of objectives. The method described is also applicable to the representation of convex sets. Copyright © 2009 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  6. Curvature tensor copies in affine geometry

    International Nuclear Information System (INIS)

    Srivastava, P.P.

    1981-01-01

    The sets of space-time and spin-connections which give rise to the same curvature tensor are constructed. The corresponding geometries are compared. Results are illustrated by an explicit calculation and comment on the copies in Einstein-Cartan and Weyl-Cartan geometries. (Author) [pt

  7. Calculations of reactivity based in the solution of the Neutron transport equation in X Y geometry and Lineal perturbation theory; Calculos de reactividad basados en la solucion de la Ecuacion de transporte de neutrones en geometria XY y Teoria de perturbacion lineal

    Energy Technology Data Exchange (ETDEWEB)

    Valle G, E. del; Mugica R, C.A. [IPN, ESFM, Departamento de Ingenieria Nuclear, 07738 Mexico D.F. (Mexico)]. e-mail: cmugica@ipn.mx

    2005-07-01

    In our country, in last congresses, Gomez et al carried out reactivity calculations based on the solution of the diffusion equation for an energy group using nodal methods in one dimension and the TPL approach (Lineal Perturbation Theory). Later on, Mugica extended the application to the case of multigroup so much so much in one as in two dimensions (X Y geometry) with excellent results. Presently work is carried out similar calculations but this time based on the solution of the neutron transport equation in X Y geometry using nodal methods and again the TPL approximation. The idea is to provide a calculation method that allows to obtain in quick form the reactivity solving the direct problem as well as the enclosed problem of the not perturbed problem. A test problem for the one that results are provided for the effective multiplication factor is described and its are offered some conclusions. (Author)

  8. Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries.

    Science.gov (United States)

    Brorsen, Kurt R; Yang, Yang; Hammes-Schiffer, Sharon

    2017-08-03

    Nuclear quantum effects such as zero point energy play a critical role in computational chemistry and often are included as energetic corrections following geometry optimizations. The nuclear-electronic orbital (NEO) multicomponent density functional theory (DFT) method treats select nuclei, typically protons, quantum mechanically on the same level as the electrons. Electron-proton correlation is highly significant, and inadequate treatments lead to highly overlocalized nuclear densities. A recently developed electron-proton correlation functional, epc17, has been shown to provide accurate nuclear densities for molecular systems. Herein, the NEO-DFT/epc17 method is used to compute the proton affinities for a set of molecules and to examine the role of nuclear quantum effects on the equilibrium geometry of FHF - . The agreement of the computed results with experimental and benchmark values demonstrates the promise of this approach for including nuclear quantum effects in calculations of proton affinities, pK a 's, optimized geometries, and reaction paths.

  9. Geometry and its applications

    CERN Document Server

    Meyer, Walter J

    2006-01-01

    Meyer''s Geometry and Its Applications, Second Edition, combines traditional geometry with current ideas to present a modern approach that is grounded in real-world applications. It balances the deductive approach with discovery learning, and introduces axiomatic, Euclidean geometry, non-Euclidean geometry, and transformational geometry. The text integrates applications and examples throughout and includes historical notes in many chapters. The Second Edition of Geometry and Its Applications is a significant text for any college or university that focuses on geometry''s usefulness in other disciplines. It is especially appropriate for engineering and science majors, as well as future mathematics teachers.* Realistic applications integrated throughout the text, including (but not limited to): - Symmetries of artistic patterns- Physics- Robotics- Computer vision- Computer graphics- Stability of architectural structures- Molecular biology- Medicine- Pattern recognition* Historical notes included in many chapters...

  10. Algebraic geometry in India

    Indian Academy of Sciences (India)

    algebraic geometry but also in related fields like number theory. ... every vector bundle on the affine space is trivial. (equivalently ... les on a compact Riemann surface to unitary rep- ... tial geometry and topology and was generalised in.

  11. Spinorial Geometry and Branes

    International Nuclear Information System (INIS)

    Sloane, Peter

    2007-01-01

    We adapt the spinorial geometry method introduced in [J. Gillard, U. Gran and G. Papadopoulos, 'The spinorial geometry of supersymmetric backgrounds,' Class. Quant. Grav. 22 (2005) 1033 [ (arXiv:hep-th/0410155)

  12. Spinorial Geometry and Branes

    Energy Technology Data Exchange (ETDEWEB)

    Sloane, Peter [Department of Mathematics, King' s College, University of London, Strand, London WC2R 2LS (United Kingdom)

    2007-09-15

    We adapt the spinorial geometry method introduced in [J. Gillard, U. Gran and G. Papadopoulos, 'The spinorial geometry of supersymmetric backgrounds,' Class. Quant. Grav. 22 (2005) 1033 [ (arXiv:hep-th/0410155)

  13. Optimization and calculation of the MCl-ZnCl{sub 2} (M = Li, Na, K) phase diagrams

    Energy Technology Data Exchange (ETDEWEB)

    Romero-Serrano, Antonio, E-mail: romeroipn@hotmail.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Hernandez-Ramirez, Aurelio, E-mail: aurelioh@hotmail.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Cruz-Ramirez, Alejandro, E-mail: alcruzr@ipn.mx [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Hallen-Lopez, Manuel, E-mail: j_hallen@yahoo.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico); Zeifert, Beatriz, E-mail: bzeifert@yahoo.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico, D.F. (Mexico)

    2010-10-20

    An earlier structural model for binary silicate melts and glasses is extended to zinc chloride-alkali metal chloride systems. The evaluation of the available thermodynamic and phase diagrams data for the MCl-ZnCl{sub 2} (M = Li, Na, K) binary systems have been carried out using the structural model for the liquid phase. This thermodynamic model is based on the assumption that each alkali chloride produces the depolymerization of ZnCl{sub 2} network with a characteristic free-energy change. A least-squares optimization program permits all available thermodynamic and phase diagram data to be optimized simultaneously. In this manner, data for these binary systems have been analysed and represented with a small number of parameters.

  14. Bayesian optimization for constructing potential energy surfaces of polyatomic molecules with the smallest number of ab initio calculations

    Science.gov (United States)

    Vargas-Hernandez, Rodrigo A.; v Krems, Roman

    2017-04-01

    We examine the application of kernel methods of machine learning for constructing potential energy surfaces (PES) of polyatomic molecules. In particular, we illustrate the application of Bayesian optimization with Gaussian processes as an efficient method for sampling the configuration space of polyatomic molecules. Bayesian optimization relies on two key components: a prior over an objective function and a mechanism for sampling the configuration space. We use Gaussian processes to model the objective function and various acquisition functions commonly used in computer science to quantify the accuracy of sampling. The PES is obtained through an iterative process of adding ab initio points at the locations maximizing the acquisition function and re-trainig the Gaussian process with new points added. We sample different PESs with one or many acquisition functions and show how the acquisition functions affect the construction of the PESs.

  15. Zeroth-order exchange energy as a criterion for optimized atomic basis sets in interatomic force calculations

    International Nuclear Information System (INIS)

    Varandas, A.J.C.

    1980-01-01

    A suggestion is made for using the zeroth-order exchange term, at the one-exchange level, in the perturbation development of the interaction energy as a criterion for optmizing the atomic basis sets in interatomic force calculations. The approach is illustrated for the case of two helium atoms. (orig.)

  16. Optimal density assignment to 2D diode array detector for different dose calculation algorithms in patient specific VMAT QA

    International Nuclear Information System (INIS)

    Park, So Yeon; Park, Jong Min; Choi, Chang Heon; Chun, MinSoo; Han, Ji Hye; Cho, Jin Dong; Kim, Jung In

    2017-01-01

    The purpose of this study is to assign an appropriate density to virtual phantom for 2D diode array detector with different dose calculation algorithms to guarantee the accuracy of patient-specific QA. Ten VMAT plans with 6 MV photon beam and ten VMAT plans with 15 MV photon beam were selected retrospectively. The computed tomography (CT) images of MapCHECK2 with MapPHAN were acquired to design the virtual phantom images. For all plans, dose distributions were calculated for the virtual phantoms with four different materials by AAA and AXB algorithms. The four materials were polystyrene, 455 HU, Jursinic phantom, and PVC. Passing rates for several gamma criteria were calculated by comparing the measured dose distribution with calculated dose distributions of four materials. For validation of AXB modeling in clinic, the mean percentages of agreement in the cases of dose difference criteria of 1.0% and 2.0% for 6 MV were 97.2%±2.3%, and 99.4%±1.1%, respectively while those for 15 MV were 98.5%±0.85% and 99.8%±0.2%, respectively. In the case of 2%/2 mm, all mean passing rates were more than 96.0% and 97.2% for 6 MV and 15 MV, respectively, regardless of the virtual phantoms of different materials and dose calculation algorithms. The passing rates in all criteria slightly increased for AXB as well as AAA when using 455 HU rather than polystyrene. The virtual phantom which had a 455 HU values showed high passing rates for all gamma criteria. To guarantee the accuracy of patent-specific VMAT QA, each institution should fine-tune the mass density or HU values of this device

  17. Optimal density assignment to 2D diode array detector for different dose calculation algorithms in patient specific VMAT QA

    Energy Technology Data Exchange (ETDEWEB)

    Park, So Yeon; Park, Jong Min; Choi, Chang Heon; Chun, MinSoo; Han, Ji Hye; Cho, Jin Dong; Kim, Jung In [Dept. of Radiation Oncology, Seoul National University Hospital, Seoul (Korea, Republic of)

    2017-03-15

    The purpose of this study is to assign an appropriate density to virtual phantom for 2D diode array detector with different dose calculation algorithms to guarantee the accuracy of patient-specific QA. Ten VMAT plans with 6 MV photon beam and ten VMAT plans with 15 MV photon beam were selected retrospectively. The computed tomography (CT) images of MapCHECK2 with MapPHAN were acquired to design the virtual phantom images. For all plans, dose distributions were calculated for the virtual phantoms with four different materials by AAA and AXB algorithms. The four materials were polystyrene, 455 HU, Jursinic phantom, and PVC. Passing rates for several gamma criteria were calculated by comparing the measured dose distribution with calculated dose distributions of four materials. For validation of AXB modeling in clinic, the mean percentages of agreement in the cases of dose difference criteria of 1.0% and 2.0% for 6 MV were 97.2%±2.3%, and 99.4%±1.1%, respectively while those for 15 MV were 98.5%±0.85% and 99.8%±0.2%, respectively. In the case of 2%/2 mm, all mean passing rates were more than 96.0% and 97.2% for 6 MV and 15 MV, respectively, regardless of the virtual phantoms of different materials and dose calculation algorithms. The passing rates in all criteria slightly increased for AXB as well as AAA when using 455 HU rather than polystyrene. The virtual phantom which had a 455 HU values showed high passing rates for all gamma criteria. To guarantee the accuracy of patent-specific VMAT QA, each institution should fine-tune the mass density or HU values of this device.

  18. Neutron transport by collision probability method in complicated geometries

    International Nuclear Information System (INIS)

    Constantin, Marin

    2000-01-01

    For the first flight collision probability (FFCP) method a rapidly increasing of the memory requirements and execution time with the number of discrete regions occurs. Generally, the use of the method is restricted at cell/supercell level. However, the amazing developments both in computer hardware and computer architecture allow a real extending of the problems' domain and a more detailed treatment of the geometry. Two ways are discussed into the paper: the direct design of new codes and the improving of the mainframe old versions. The author's experience is focused on the performances' improving of the 3D integral transport code PIJXYZ (from an old version to a modern one) and on the design and developing of the 2D transport code CP 2 D in the last years. In the first case an optimization process have been performed before the parallelization. In the second a modular design and the newest techniques (factorization of the geometry, the macrobands method, the mobile set of chords, the automatic calculation of the integration error, optimal algorithms for the innermost programming level, the mixed method for tracking process and CPs calculation, etc.) were adopted. In both cases the parallelization uses a PCs network system. Some short examples for CP 2 D and PIJXYZ calculation are presented: reactivity void effect in typical CANDU cells using a multistratified coolant model, a problem of some adjacent fuel assemblies, CANDU reactivity devices 3D simulation. (author)

  19. Second International workshop Geometry and Symbolic Computation

    CERN Document Server

    Walczak, Paweł; Geometry and its Applications

    2014-01-01

    This volume has been divided into two parts: Geometry and Applications. The geometry portion of the book relates primarily to geometric flows, laminations, integral formulae, geometry of vector fields on Lie groups, and osculation; the articles in the applications portion concern some particular problems of the theory of dynamical systems, including mathematical problems of liquid flows and a study of cycles for non-dynamical systems. This Work is based on the second international workshop entitled "Geometry and Symbolic Computations," held on May 15-18, 2013 at the University of Haifa and is dedicated to modeling (using symbolic calculations) in differential geometry and its applications in fields such as computer science, tomography, and mechanics. It is intended to create a forum for students and researchers in pure and applied geometry to promote discussion of modern state-of-the-art in geometric modeling using symbolic programs such as Maple™ and Mathematica®, as well as presentation of new results. ...

  20. Intercavitary implants dosage calculation

    International Nuclear Information System (INIS)

    Rehder, B.P.

    The use of spacial geometry peculiar to each treatment for the attainment of intercavitary and intersticial implants dosage calculation is presented. The study is made in patients with intercavitary implants by applying a modified Manchester technique [pt

  1. Casimir forces and geometry

    International Nuclear Information System (INIS)

    Buescher, R.

    2005-01-01

    Casimir interactions are interactions induced by quantum vacuum fluctuations and thermal fluctuations of the electromagnetic field. Using a path integral quantization for the gauge field, an effective Gaussian action will be derived which is the starting point to compute Casimir forces between macroscopic objects analytically and numerically. No assumptions about the independence of the material and shape dependent contributions to the interaction are made. We study the limit of flat surfaces in further detail and obtain a concise derivation of Lifshitz' theory of molecular forces. For the case of ideally conducting boundaries, the Gaussian action will be calculated explicitly. Both limiting cases are also discussed within the framework of a scalar field quantization approach, which is applicable for translationally invariant geometries. We develop a non-perturbative approach to calculate the Casimir interaction from the Gaussian action for periodically deformed and ideally conducting objects numerically. The obtained results reveal two different scaling regimes for the Casimir force as a function of the distance between the objects, their deformation wavelength and -amplitude. The results confirm that the interaction is non-additive, especially in the presence of strong geometric deformations. Furthermore, the numerical approach is extended to calculate lateral Casimir forces. The results are consistent with the results of the proximity-force approximation for large deformation wavelengths. A qualitatively different behaviour between the normal and lateral force is revealed. We also establish a relation between the boundary induced change of the of the density of states for the scalar Helmholtz equation and the Casimir interaction using the path integral method. For statically deformed boundaries, this relation can be expressed as a novel trace formula, which is formally similar to the so-called Krein-Friedel-Lloyd formula. While the latter formula describes the

  2. SABRINA, Geometry Plot Program for MCNP

    International Nuclear Information System (INIS)

    SEIDL, Marcus

    2003-01-01

    1 - Description of program or function: SABRINA is an interactive, three-dimensional, geometry-modeling code system, primarily for use with CCC-200/MCNP. SABRINA's capabilities include creation, visualization, and verification of three-dimensional geometries specified by either surface- or body-base combinatorial geometry; display of particle tracks are calculated by MCNP; and volume fraction generation. 2 - Method of solution: Rendering is performed by ray tracing or an edge and intersection algorithm. Volume fraction calculations are made by ray tracing. 3 - Restrictions on the complexity of the problem: A graphics display with X Window capability is required

  3. Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. II. Construction and optimization

    International Nuclear Information System (INIS)

    Poirier, Bill; Salam, A.

    2004-01-01

    In this paper, we extend and elaborate upon a wavelet method first presented in a previous publication [B. Poirier, J. Theo. Comput. Chem. 2, 65 (2003)]. In particular, we focus on construction and optimization of the wavelet functions, from theoretical and numerical viewpoints, and also examine their localization properties. The wavelets used are modified Wilson-Daubechies wavelets, which in conjunction with a simple phase space truncation scheme, enable one to solve the multidimensional Schroedinger equation. This approach is ideally suited to rovibrational spectroscopy applications, but can be used in any context where differential equations are involved

  4. Optimization of an algorithm for 3D calculation of radiation dose distribution in heterogeneous media for use in radiotherapy planning

    International Nuclear Information System (INIS)

    Perles, L.A.; Chinellato, C.D.; Rocha, J.R.O.

    2001-01-01

    In this paper has been presented a modification of a algorithm for three-dimensional (3D) radiation dose distribution in heterogeneous media by convolutions. This modification has maintained good accordance between calculated and simulated data in EGS4 code. The results of algorithm have been compared with commercial program PLATO, where have been noticed inconsistency for equivalent density regions in a muscle-lung-muscle interface system

  5. Geometry essentials for dummies

    CERN Document Server

    Ryan, Mark

    2011-01-01

    Just the critical concepts you need to score high in geometry This practical, friendly guide focuses on critical concepts taught in a typical geometry course, from the properties of triangles, parallelograms, circles, and cylinders, to the skills and strategies you need to write geometry proofs. Geometry Essentials For Dummies is perfect for cramming or doing homework, or as a reference for parents helping kids study for exams. Get down to the basics - get a handle on the basics of geometry, from lines, segments, and angles, to vertices, altitudes, and diagonals Conque

  6. Movable geometry and eigenvalue search capability in the MC21 Monte Carlo code

    International Nuclear Information System (INIS)

    Gill, D. F.; Nease, B. R.; Griesheimer, D. P.

    2013-01-01

    A description of a robust and flexible movable geometry implementation in the Monte Carlo code MC21 is described along with a search algorithm that can be used in conjunction with the movable geometry capability to perform eigenvalue searches based on the position of some geometric component. The natural use of the combined movement and search capability is searching to critical through variation of control rod (or control drum) position. The movable geometry discussion provides the mathematical framework for moving surfaces in the MC21 combinatorial solid geometry description. A discussion of the interface between the movable geometry system and the user is also described, particularly the ability to create a hierarchy of movable groups. Combined with the hierarchical geometry description in MC21 the movable group framework provides a very powerful system for inline geometry modification. The eigenvalue search algorithm implemented in MC21 is also described. The foundations of this algorithm are a regula falsi search though several considerations are made in an effort to increase the efficiency of the algorithm for use with Monte Carlo. Specifically, criteria are developed to determine after each batch whether the Monte Carlo calculation should be continued, the search iteration can be rejected, or the search iteration has converged. These criteria seek to minimize the amount of time spent per iteration. Results for the regula falsi method are shown, illustrating that the method as implemented is indeed convergent and that the optimizations made ultimately reduce the total computational expense. (authors)

  7. Movable geometry and eigenvalue search capability in the MC21 Monte Carlo code

    Energy Technology Data Exchange (ETDEWEB)

    Gill, D. F.; Nease, B. R.; Griesheimer, D. P. [Bettis Atomic Power Laboratory, PO Box 79, West Mifflin, PA 15122 (United States)

    2013-07-01

    A description of a robust and flexible movable geometry implementation in the Monte Carlo code MC21 is described along with a search algorithm that can be used in conjunction with the movable geometry capability to perform eigenvalue searches based on the position of some geometric component. The natural use of the combined movement and search capability is searching to critical through variation of control rod (or control drum) position. The movable geometry discussion provides the mathematical framework for moving surfaces in the MC21 combinatorial solid geometry description. A discussion of the interface between the movable geometry system and the user is also described, particularly the ability to create a hierarchy of movable groups. Combined with the hierarchical geometry description in MC21 the movable group framework provides a very powerful system for inline geometry modification. The eigenvalue search algorithm implemented in MC21 is also described. The foundations of this algorithm are a regula falsi search though several considerations are made in an effort to increase the efficiency of the algorithm for use with Monte Carlo. Specifically, criteria are developed to determine after each batch whether the Monte Carlo calculation should be continued, the search iteration can be rejected, or the search iteration has converged. These criteria seek to minimize the amount of time spent per iteration. Results for the regula falsi method are shown, illustrating that the method as implemented is indeed convergent and that the optimizations made ultimately reduce the total computational expense. (authors)

  8. Arithmetic noncommutative geometry

    CERN Document Server

    Marcolli, Matilde

    2005-01-01

    Arithmetic noncommutative geometry denotes the use of ideas and tools from the field of noncommutative geometry, to address questions and reinterpret in a new perspective results and constructions from number theory and arithmetic algebraic geometry. This general philosophy is applied to the geometry and arithmetic of modular curves and to the fibers at archimedean places of arithmetic surfaces and varieties. The main reason why noncommutative geometry can be expected to say something about topics of arithmetic interest lies in the fact that it provides the right framework in which the tools of geometry continue to make sense on spaces that are very singular and apparently very far from the world of algebraic varieties. This provides a way of refining the boundary structure of certain classes of spaces that arise in the context of arithmetic geometry, such as moduli spaces (of which modular curves are the simplest case) or arithmetic varieties (completed by suitable "fibers at infinity"), by adding boundaries...

  9. Optimized calculation of the synergy conditions between electron cyclotron current drive and lower hybrid current drive on EAST

    International Nuclear Information System (INIS)

    Wei Wei; Ding Bo-Jiang; Li Miao-Hui; Zhang Xin-Jun; Wang Xiao-Jie; Peysson, Y; Decker, J; Zhang Lei

    2016-01-01

    The optimized synergy conditions between electron cyclotron current drive (ECCD) and lower hybrid current drive (LHCD) with normal parameters of the EAST tokamak are studied by using the C3PO/LUKE code based on the understanding of the synergy mechanisms so as to obtain a higher synergistic current and provide theoretical reference for the synergistic effect in the EAST experiment. The dependences of the synergistic effect on the parameters of two waves (lower hybrid wave (LHW) and electron cyclotron wave (ECW)), including the radial position of the power deposition, the power value of the LH and EC waves, and the parallel refractive indices of the LHW (N ∥ ) are presented and discussed. (paper)

  10. Dynamic perfusion CT: Optimizing the temporal resolution for the calculation of perfusion CT parameters in stroke patients

    Energy Technology Data Exchange (ETDEWEB)

    Kaemena, Andreas [Department of Radiology, Charite-Medical University Berlin, Augustenburger Platz 1, D-13353 Berlin (Germany)], E-mail: andreas.kaemena@charite.de; Streitparth, Florian; Grieser, Christian; Lehmkuhl, Lukas [Department of Radiology, Charite-Medical University Berlin, Augustenburger Platz 1, D-13353 Berlin (Germany); Jamil, Basil [Department of Radiotherapy, Charite-Medical University Berlin, Schumannstr. 20/21, D-10117 Berlin (Germany); Wojtal, Katarzyna; Ricke, Jens; Pech, Maciej [Department of Radiology, Charite-Medical University Berlin, Augustenburger Platz 1, D-13353 Berlin (Germany)

    2007-10-15

    Purpose: To assess the influence of different temporal sampling rates on the accuracy of the results from cerebral perfusion CTs in patients with an acute ischemic stroke. Material and methods: Thirty consecutive patients with acute stroke symptoms received a dynamic perfusion CT (LightSpeed 16, GE). Forty millilitres of iomeprol (Imeron 400) were administered at an injection rate of 4 ml/s. After a scan delay of 7 s, two adjacent 10 mm slices at 80 kV and 190 mA were acquired in a cine mode technique with a cine duration of 49 s. Parametric maps for the blood flow (BF), blood volume (BV) and mean transit time (MTT) were calculated for temporal sampling intervals of 0.5, 1, 2, 3 and 4 s using GE's Perfusion 3 software package. In addition to the quantitative ROI data analysis, a visual perfusion map analysis was performed. Results: The perfusion analysis proved to be technically feasible with all patients. The calculated perfusion values revealed significant differences with regard to the BF, BV and MTT, depending on the employed temporal resolution. The perfusion contrast between ischemic lesions and healthy brain tissue decreased continuously at the lower temporal resolutions. The visual analysis revealed that ischemic lesions were best depicted with sampling intervals of 0.5 and 1 s. Conclusion: We recommend a temporal scan resolution of two images per second for the best detection and depiction of ischemic areas.

  11. CFD Analysis to Calculate the Optimal Air Velocity in Drying Green Tea Process Using Fluidized Bed Dryer

    Science.gov (United States)

    Yohana, Eflita; Nugraha, Afif Prasetya; Diana, Ade Eva; Mahawan, Ilham; Nugroho, Sri

    2018-02-01

    Tea processing is basically distinguished into three types which black tea, green tea, and oolong tea. Green tea is processed by heating and drying the leaves. Green tea factories in Indonesia are generally using the process of drying by panning the leaves. It is more recommended to use the fluidization process to speed up the drying process as the quality of the tea can be maintained. Bubbling fluidization is expected to occur in this research. It is a process of bubbles are formed in the fluidization. The effectiveness of the drying process in a fluidized bed dryer machine needs to be improved by using a CFD simulation method to proof that umf < u < ut, where the average velocity value is limited by the minimum and the maximum velocity of the calculation the experimental data. The minimum and the maximum velocity value of the fluidization is 0.96 m/s and 8.2 m/s. The result of the simulation obtained that the average velocity of the upper bed part is 1.81 m/s. From the results obtained, it can be concluded that the calculation and the simulation data is in accordance with the condition of bubbling fluidization in fluidized bed dryer.

  12. Inverse kinematics for the variable geometry truss manipulator via a Lagrangian dual method

    Directory of Open Access Journals (Sweden)

    Yanchun Zhao

    2016-11-01

    Full Text Available This article studies the inverse kinematics problem of the variable geometry truss manipulator. The problem is cast as an optimization process which can be divided into two steps. Firstly, according to the information about the location of the end effector and fixed base, an optimal center curve and the corresponding distribution of the intermediate platforms along this center line are generated. This procedure is implemented by solving a non-convex optimization problem that has a quadratic objective function subject to quadratic constraints. Then, in accordance with the distribution of the intermediate platforms along the optimal center curve, all lengths of the actuators are calculated via the inverse kinematics of each variable geometry truss module. Hence, the approach that we present is an optimization procedure that attempts to generate the optimal intermediate platform distribution along the optimal central curve, while the performance index and kinematic constraints are satisfied. By using the Lagrangian duality theory, a closed-form optimal solution of the original optimization is given. The numerical simulation substantiates the effectiveness of the introduced approach.

  13. Machine learning spatial geometry from entanglement features

    Science.gov (United States)

    You, Yi-Zhuang; Yang, Zhao; Qi, Xiao-Liang

    2018-02-01

    Motivated by the close relations of the renormalization group with both the holography duality and the deep learning, we propose that the holographic geometry can emerge from deep learning the entanglement feature of a quantum many-body state. We develop a concrete algorithm, call the entanglement feature learning (EFL), based on the random tensor network (RTN) model for the tensor network holography. We show that each RTN can be mapped to a Boltzmann machine, trained by the entanglement entropies over all subregions of a given quantum many-body state. The goal is to construct the optimal RTN that best reproduce the entanglement feature. The RTN geometry can then be interpreted as the emergent holographic geometry. We demonstrate the EFL algorithm on a 1D free fermion system and observe the emergence of the hyperbolic geometry (AdS3 spatial geometry) as we tune the fermion system towards the gapless critical point (CFT2 point).

  14. Geometry of quantum computation with qutrits.

    Science.gov (United States)

    Li, Bin; Yu, Zu-Huan; Fei, Shao-Ming

    2013-01-01

    Determining the quantum circuit complexity of a unitary operation is an important problem in quantum computation. By using the mathematical techniques of Riemannian geometry, we investigate the efficient quantum circuits in quantum computation with n qutrits. We show that the optimal quantum circuits are essentially equivalent to the shortest path between two points in a certain curved geometry of SU(3(n)). As an example, three-qutrit systems are investigated in detail.

  15. The Geometry Conference

    CERN Document Server

    Bárány, Imre; Vilcu, Costin

    2016-01-01

    This volume presents easy-to-understand yet surprising properties obtained using topological, geometric and graph theoretic tools in the areas covered by the Geometry Conference that took place in Mulhouse, France from September 7–11, 2014 in honour of Tudor Zamfirescu on the occasion of his 70th anniversary. The contributions address subjects in convexity and discrete geometry, in distance geometry or with geometrical flavor in combinatorics, graph theory or non-linear analysis. Written by top experts, these papers highlight the close connections between these fields, as well as ties to other domains of geometry and their reciprocal influence. They offer an overview on recent developments in geometry and its border with discrete mathematics, and provide answers to several open questions. The volume addresses a large audience in mathematics, including researchers and graduate students interested in geometry and geometrical problems.

  16. Ostrich eggs geometry

    Directory of Open Access Journals (Sweden)

    Šárka Nedomová

    2013-01-01

    Full Text Available Precise quantification of the profile of egg can provide a powerful tool for the analysis of egg shape for various biological problems. A new approach to the geometry of a Ostrich’s egg profile is presented here using an analysing the egg’s digital photo by edge detection techniques. The obtained points on the eggshell counter are fitted by the Fourier series. The obtained equations describing an egg profile have been used to calculate radii of curvature. The radii of the curvature at the important point of the egg profile (sharp end, blunt end and maximum thickness are independent on the egg shape index. The exact values of the egg surface and the egg volume have been obtained. These quantities are also independent on the egg shape index. These quantities can be successively estimated on the basis of simplified equations which are expressed in terms of the egg length, L¸ and its width, B. The surface area of the eggshells also exhibits good correlation with the egg long circumference length. Some limitations of the most used procedures have been also shown.

  17. Algorithms in Algebraic Geometry

    CERN Document Server

    Dickenstein, Alicia; Sommese, Andrew J

    2008-01-01

    In the last decade, there has been a burgeoning of activity in the design and implementation of algorithms for algebraic geometric computation. Some of these algorithms were originally designed for abstract algebraic geometry, but now are of interest for use in applications and some of these algorithms were originally designed for applications, but now are of interest for use in abstract algebraic geometry. The workshop on Algorithms in Algebraic Geometry that was held in the framework of the IMA Annual Program Year in Applications of Algebraic Geometry by the Institute for Mathematics and Its

  18. Revolutions of Geometry

    CERN Document Server

    O'Leary, Michael

    2010-01-01

    Guides readers through the development of geometry and basic proof writing using a historical approach to the topic. In an effort to fully appreciate the logic and structure of geometric proofs, Revolutions of Geometry places proofs into the context of geometry's history, helping readers to understand that proof writing is crucial to the job of a mathematician. Written for students and educators of mathematics alike, the book guides readers through the rich history and influential works, from ancient times to the present, behind the development of geometry. As a result, readers are successfull

  19. Fundamental concepts of geometry

    CERN Document Server

    Meserve, Bruce E

    1983-01-01

    Demonstrates relationships between different types of geometry. Provides excellent overview of the foundations and historical evolution of geometrical concepts. Exercises (no solutions). Includes 98 illustrations.

  20. Developments in special geometry

    International Nuclear Information System (INIS)

    Mohaupt, Thomas; Vaughan, Owen

    2012-01-01

    We review the special geometry of N = 2 supersymmetric vector and hypermultiplets with emphasis on recent developments and applications. A new formulation of the local c-map based on the Hesse potential and special real coordinates is presented. Other recent developments include the Euclidean version of special geometry, and generalizations of special geometry to non-supersymmetric theories. As applications we discuss the proof that the local r-map and c-map preserve geodesic completeness, and the construction of four- and five-dimensional static solutions through dimensional reduction over time. The shared features of the real, complex and quaternionic version of special geometry are stressed throughout.

  1. Calculation of optimal gestation weight gain in pre-pregnancy underweight women due to body mass index change in relation to mother's height.

    Science.gov (United States)

    Meštrović, Zoran; Roje, Damir; Vulić, Marko; Zec, Mirela

    2017-01-01

    Optimal gestational weight gain has not yet been clearly defined and remains one of the most controversial issues in modern perinatology. The role of optimal weight gain during pregnancy is critical, as it has a strong effect on perinatal outcomes. In this study, gestational body mass index (BMI) change, accounting for maternal height, was investigated as a new criterion for gestational weight gain determination, in the context of fetal growth assessment. We had focused on underweight women only, and aimed to assess whether the Institute of Medicine (IOM) guidelines could be considered acceptable or additional corrections are required in this subgroup of women. The study included 1205 pre-pregnancy underweight mothers and their neonates. Only mothers with singleton term pregnancies (37th-42nd week of gestation) with pre-gestational BMI gestational age (SGA) infants in the study population was 16.2 %. Our results showed the minimal recommended gestational weight gain of 12-14 kg and BMI change of 4-5 kg/m 2 to be associated with a lower prevalence of SGA newborns. Based on our results, the recommended upper limit of gestational mass change could definitely be substantially higher. Optimal weight gain in underweight women could be estimated in the very beginning of pregnancy as recommended BMI change, but recalculated in kilograms according to body height, which modulates the numerical calculation of BMI. Our proposal presents a further step forward towards individualized approach for each pregnant woman.

  2. Tearing modes in toroidal geometry

    International Nuclear Information System (INIS)

    Connor, J.W.; Cowley, S.C.; Hastie, R.J.; Hender, T.C.; Hood, A.; Martin, T.J.

    1988-01-01

    The separation of the cylindrical tearing mode stability problem into a resistive resonant layer calculation and an external marginal ideal magnetohydrodynamic (MHD) calculation (Δ' calculation) is generalized to axisymmetric toroidal geometry. The general structure of this separation is analyzed and the marginal ideal MHD information (the toroidal generalization of Δ') required to discuss stability is isolated. This can then, in principle, be combined with relevant resonant layer calculations to determine tearing mode growth rates in realistic situations. Two examples are given: the first is an analytic treatment of toroidally coupled (m = 1, n = 1) and (m = 2, n = 1) tearing modes in a large aspect ratio torus; the second, a numerical treatment of the toroidal coupling of three tearing modes through finite pressure effects in a large aspect ratio torus. In addition, the use of a coupling integral approach for determining the stability of coupled tearing modes is discussed. Finally, the possibility of using initial value resistive MHD codes in realistic toroidal geometry to determine the necessary information from the ideal MHD marginal solution is discussed

  3. Geometry of multihadron production

    Energy Technology Data Exchange (ETDEWEB)

    Bjorken, J.D.

    1994-10-01

    This summary talk only reviews a small sample of topics featured at this symposium: Introduction; The Geometry and Geography of Phase space; Space-Time Geometry and HBT; Multiplicities, Intermittency, Correlations; Disoriented Chiral Condensate; Deep Inelastic Scattering at HERA; and Other Contributions.

  4. Designs and finite geometries

    CERN Document Server

    1996-01-01

    Designs and Finite Geometries brings together in one place important contributions and up-to-date research results in this important area of mathematics. Designs and Finite Geometries serves as an excellent reference, providing insight into some of the most important research issues in the field.

  5. Geometry of multihadron production

    International Nuclear Information System (INIS)

    Bjorken, J.D.

    1994-10-01

    This summary talk only reviews a small sample of topics featured at this symposium: Introduction; The Geometry and Geography of Phase space; Space-Time Geometry and HBT; Multiplicities, Intermittency, Correlations; Disoriented Chiral Condensate; Deep Inelastic Scattering at HERA; and Other Contributions

  6. The Beauty of Geometry

    Science.gov (United States)

    Morris, Barbara H.

    2004-01-01

    This article describes a geometry project that used the beauty of stained-glass-window designs to teach middle school students about geometric figures and concepts. Three honors prealgebra teachers and a middle school mathematics gifted intervention specialist created a geometry project that covered the curriculum and also assessed students'…

  7. Code subspaces for LLM geometries

    Science.gov (United States)

    Berenstein, David; Miller, Alexandra

    2018-03-01

    We consider effective field theory around classical background geometries with a gauge theory dual, specifically those in the class of LLM geometries. These are dual to half-BPS states of N= 4 SYM. We find that the language of code subspaces is natural for discussing the set of nearby states, which are built by acting with effective fields on these backgrounds. This work extends our previous work by going beyond the strict infinite N limit. We further discuss how one can extract the topology of the state beyond N→∞ and find that, as before, uncertainty and entanglement entropy calculations provide a useful tool to do so. Finally, we discuss obstructions to writing down a globally defined metric operator. We find that the answer depends on the choice of reference state that one starts with. Therefore, within this setup, there is ambiguity in trying to write an operator that describes the metric globally.

  8. http://www.D-MELD.com, the Italian survival calculator to optimize donor to recipient matching and to identify the unsustainable matches in liver transplantation.

    Science.gov (United States)

    Avolio, Alfonso W; Agnes, Salvatore; Cillo, Umberto; Lirosi, Maria C; Romagnoli, Renato; Baccarani, Umberto; Zamboni, Fausto; Nicolini, Daniele; Donataccio, Matteo; Perrella, Alessandro; Ettorre, Giuseppe M; Romano, Marina; Morelli, Nicola; Vennarecci, Giovanni; de Waure, Chiara; Fagiuoli, Stefano; Burra, Patrizia; Cucchetti, Alessandro

    2012-03-01

    Optimization of donor-recipient match is one of the exciting challenges in liver transplantation. Using algorithms obtained by the Italian D-MELD study (5256 liver transplants, 21 Centers, 2002-2009 period), a web-based survival calculator was developed. The calculator is available online at the URL http://www.D-MELD.com. The access is free. Registration and authentication are required. The website was developed using PHP scripting language on HTML platform and it is hosted by the web provider Aruba.it. For a given donor (expressed by donor age) and for three potential recipients (expressed by values of bilirubin, creatinine, INR, and by recipient age, HCV, HBV, portal thrombosis, re-transplant status), the website calculates the patient survival at 90days, 1year, 3years, and allows the identification of possible unsustainable matches (i.e. donor-recipient matches with predicted patient survival less than 50% at 5 years). This innovative approach allows the selection of the best recipient for each referred donor, avoiding the allocation of a high-risk graft to a high-risk recipient. The use of the D-MELD.com website can help transplant surgeons, hepatologists, and transplant coordinators in everyday practice of matching donors and recipients, by selecting the more appropriate recipient among various candidates with different prognostic factors. © 2012 The Authors. Transplant International © 2012 European Society for Organ Transplantation.

  9. Stochastic geometry for image analysis

    CERN Document Server

    Descombes, Xavier

    2013-01-01

    This book develops the stochastic geometry framework for image analysis purpose. Two main frameworks are  described: marked point process and random closed sets models. We derive the main issues for defining an appropriate model. The algorithms for sampling and optimizing the models as well as for estimating parameters are reviewed.  Numerous applications, covering remote sensing images, biological and medical imaging, are detailed.  This book provides all the necessary tools for developing an image analysis application based on modern stochastic modeling.

  10. A Lorentzian quantum geometry

    Energy Technology Data Exchange (ETDEWEB)

    Grotz, Andreas

    2011-10-07

    In this thesis, a formulation of a Lorentzian quantum geometry based on the framework of causal fermion systems is proposed. After giving the general definition of causal fermion systems, we deduce space-time as a topological space with an underlying causal structure. Restricting attention to systems of spin dimension two, we derive the objects of our quantum geometry: the spin space, the tangent space endowed with a Lorentzian metric, connection and curvature. In order to get the correspondence to classical differential geometry, we construct examples of causal fermion systems by regularizing Dirac sea configurations in Minkowski space and on a globally hyperbolic Lorentzian manifold. When removing the regularization, the objects of our quantum geometry reduce to the common objects of spin geometry on Lorentzian manifolds, up to higher order curvature corrections.

  11. Methods of information geometry

    CERN Document Server

    Amari, Shun-Ichi

    2000-01-01

    Information geometry provides the mathematical sciences with a new framework of analysis. It has emerged from the investigation of the natural differential geometric structure on manifolds of probability distributions, which consists of a Riemannian metric defined by the Fisher information and a one-parameter family of affine connections called the \\alpha-connections. The duality between the \\alpha-connection and the (-\\alpha)-connection together with the metric play an essential role in this geometry. This kind of duality, having emerged from manifolds of probability distributions, is ubiquitous, appearing in a variety of problems which might have no explicit relation to probability theory. Through the duality, it is possible to analyze various fundamental problems in a unified perspective. The first half of this book is devoted to a comprehensive introduction to the mathematical foundation of information geometry, including preliminaries from differential geometry, the geometry of manifolds or probability d...

  12. A Lorentzian quantum geometry

    International Nuclear Information System (INIS)

    Grotz, Andreas

    2011-01-01

    In this thesis, a formulation of a Lorentzian quantum geometry based on the framework of causal fermion systems is proposed. After giving the general definition of causal fermion systems, we deduce space-time as a topological space with an underlying causal structure. Restricting attention to systems of spin dimension two, we derive the objects of our quantum geometry: the spin space, the tangent space endowed with a Lorentzian metric, connection and curvature. In order to get the correspondence to classical differential geometry, we construct examples of causal fermion systems by regularizing Dirac sea configurations in Minkowski space and on a globally hyperbolic Lorentzian manifold. When removing the regularization, the objects of our quantum geometry reduce to the common objects of spin geometry on Lorentzian manifolds, up to higher order curvature corrections.

  13. MATLAB-based program for optimization of quantum cascade laser active region parameters and calculation of output characteristics in magnetic field

    Science.gov (United States)

    Smiljanić, J.; Žeželj, M.; Milanović, V.; Radovanović, J.; Stanković, I.

    2014-03-01

    A strong magnetic field applied along the growth direction of a quantum cascade laser (QCL) active region gives rise to a spectrum of discrete energy states, the Landau levels. By combining quantum engineering of a QCL with a static magnetic field, we can selectively inhibit/enhance non-radiative electron relaxation process between the relevant Landau levels of a triple quantum well and realize a tunable surface emitting device. An efficient numerical algorithm implementation is presented of optimization of GaAs/AlGaAs QCL region parameters and calculation of output properties in the magnetic field. Both theoretical analysis and MATLAB implementation are given for LO-phonon and interface roughness scattering mechanisms on the operation of QCL. At elevated temperatures, electrons in the relevant laser states absorb/emit more LO-phonons which results in reduction of the optical gain. The decrease in the optical gain is moderated by the occurrence of interface roughness scattering, which remains unchanged with increasing temperature. Using the calculated scattering rates as input data, rate equations can be solved and population inversion and the optical gain obtained. Incorporation of the interface roughness scattering mechanism into the model did not create new resonant peaks of the optical gain. However, it resulted in shifting the existing peaks positions and overall reduction of the optical gain. Catalogue identifier: AERL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AERL_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 37763 No. of bytes in distributed program, including test data, etc.: 2757956 Distribution format: tar.gz Programming language: MATLAB. Computer: Any capable of running MATLAB version R2010a or higher. Operating system: Any platform

  14. 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

  15. Geometry on the space of geometries

    International Nuclear Information System (INIS)

    Christodoulakis, T.; Zanelli, J.

    1988-06-01

    We discuss the geometric structure of the configuration space of pure gravity. This is an infinite dimensional manifold, M, where each point represents one spatial geometry g ij (x). The metric on M is dictated by geometrodynamics, and from it, the Christoffel symbols and Riemann tensor can be found. A ''free geometry'' tracing a geodesic on the manifold describes the time evolution of space in the strong gravity limit. In a regularization previously introduced by the authors, it is found that M does not have the same dimensionality, D, everywhere, and that D is not a scalar, although it is covariantly constant. In this regularization, it is seen that the path integral measure can be absorbed in a renormalization of the cosmological constant. (author). 19 refs

  16. Study of geometries of active magnetic regenerators for room temperature magnetocaloric refrigeration

    DEFF Research Database (Denmark)

    Lei, Tian; Engelbrecht, Kurt; Nielsen, Kaspar Kirstein

    2017-01-01

    Room temperature magnetic refrigeration has attracted substantial attention during the past decades and continuing to increase the performance of active magnetic regenerators (AMR) is of great interest. Optimizing the regenerator geometry and related operating parameters is a practical and effect......Room temperature magnetic refrigeration has attracted substantial attention during the past decades and continuing to increase the performance of active magnetic regenerators (AMR) is of great interest. Optimizing the regenerator geometry and related operating parameters is a practical...... and effective way to obtain the desired cooling performance. To investigate how to choose and optimize the AMR geometry, a quantitative study is presented by simulations based on a one-dimensional (1D) numerical model. Correlations for calculating the friction factor and heat transfer coefficient are reviewed...... and chosen for modeling different geometries. Moreover, the simulated impacts of various parameters on the regenerator efficiency with a constant specific cooling capacity are presented. An analysis based on entropy production minimization reveals how those parameters affect the main losses occurring inside...

  17. 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…

  18. Optimization of C20 isomers structure

    International Nuclear Information System (INIS)

    Ndjaka, J.M.B.; Charlier, J.C.

    2001-07-01

    We have performed geometry optimization of various possible planar and three-dimensional C 20 geometries. The planar structures considered include a linear chain, a monoclinic ring, and a bicyclic bow tie; while the three-dimensional geometric; consisted of a bowl or corranulene structure and a fullerene cage. In agreement with Wang et al MP2's calculations, our results predict the corranulene bowl to be the lowest energy structure. From the ground state geometry to the highest energy, considered C 20 structures, listed in increasing energy, are bowl, cage, bow tie, ring and chain. For the ring and bow tie isomers, the shape of the optimized structure deviates from that of the initial configuration; while the shape of the optimised bowl, cage and chain remain unchanged. (author)

  19. Complex and symplectic geometry

    CERN Document Server

    Medori, Costantino; Tomassini, Adriano

    2017-01-01

    This book arises from the INdAM Meeting "Complex and Symplectic Geometry", which was held in Cortona in June 2016. Several leading specialists, including young researchers, in the field of complex and symplectic geometry, present the state of the art of their research on topics such as the cohomology of complex manifolds; analytic techniques in Kähler and non-Kähler geometry; almost-complex and symplectic structures; special structures on complex manifolds; and deformations of complex objects. The work is intended for researchers in these areas.

  20. Non-Euclidean geometry

    CERN Document Server

    Kulczycki, Stefan

    2008-01-01

    This accessible approach features two varieties of proofs: stereometric and planimetric, as well as elementary proofs that employ only the simplest properties of the plane. A short history of geometry precedes a systematic exposition of the principles of non-Euclidean geometry.Starting with fundamental assumptions, the author examines the theorems of Hjelmslev, mapping a plane into a circle, the angle of parallelism and area of a polygon, regular polygons, straight lines and planes in space, and the horosphere. Further development of the theory covers hyperbolic functions, the geometry of suff