The first principle calculation of two-dimensional Dirac materials

Science.gov (United States)

Lu, Jin

2017-12-01

As the size of integrated device becoming increasingly small, from the last century, semiconductor industry is facing the enormous challenge to break the Moore’s law. The development of calculation, communication and automatic control have emergent expectation of new materials at the aspect of semiconductor industrial technology and science. In spite of silicon device, searching the alternative material with outstanding electronic properties has always been a research point. As the discovery of graphene, the research of two-dimensional Dirac material starts to express new vitality. This essay studied the development calculation of 2D material’s mobility and introduce some detailed information of some approximation method of the first principle calculation.

One-dimensional magnetohydrodynamic calculations of a hydrogen-gas puff

International Nuclear Information System (INIS)

Maxon, S.; Nielsen, P.D.

1981-01-01

A one-dimensional Lagrangian calculation of the implosion of a hydrogen gas puff is presented. At maximum compression, 60% of the mass is located in a density spike .5 mm off the axis with a half width of 40 μm. The temperature on axis reaches 200 eV

Advanced numerical methods for three dimensional two-phase flow calculations

Energy Technology Data Exchange (ETDEWEB)

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

1997-07-01

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

Advanced numerical methods for three dimensional two-phase flow calculations

International Nuclear Information System (INIS)

Toumi, I.; Caruge, D.

1997-01-01

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

Analysis of the OPERA-15 two-dimensional voiding experiment using the SAS4A code

International Nuclear Information System (INIS)

Briggs, L.L.

1984-01-01

Overall, SAS4A appears to do a good job for simulating the OPERA-15 experiment. For most of the experiment parameters, the code calculations compare quite well with the experimental data. The lack of a multi-dimensional voiding model has the effect of extending the flow coastdown time until voiding starts; otherwise, the code simulates the accident progression satisfactorily. These results indicate a need for further work in this area in the form of a tandem analysis by a two-dimensional flow code and a one-dimensional version of that code to confirm the observations derived from the SAS4A analysis

One dimensional benchmark calculations using diffusion theory

International Nuclear Information System (INIS)

Ustun, G.; Turgut, M.H.

1986-01-01

This is a comparative study by using different one dimensional diffusion codes which are available at our Nuclear Engineering Department. Some modifications have been made in the used codes to fit the problems. One of the codes, DIFFUSE, solves the neutron diffusion equation in slab, cylindrical and spherical geometries by using 'Forward elimination- Backward substitution' technique. DIFFUSE code calculates criticality, critical dimensions and critical material concentrations and adjoint fluxes as well. It is used for the space and energy dependent neutron flux distribution. The whole scattering matrix can be used if desired. Normalisation of the relative flux distributions to the reactor power, plotting of the flux distributions and leakage terms for the other two dimensions have been added. Some modifications also have been made for the code output. Two Benchmark problems have been calculated with the modified version and the results are compared with BBD code which is available at our department and uses same techniques of calculation. Agreements are quite good in results such as k-eff and the flux distributions for the two cases studies. (author)

Point kinetics improvements to evaluate three-dimensional effects in transients calculation

International Nuclear Information System (INIS)

Castellotti, U.

1987-01-01

A calculation method, which considers the flux axial perturbations in the parameters related to the reactivity within a point kinetics model, is described. The method considered uses axial factors of consideration which act on the thermohydraulic variables included in the reactivity calculation. The PUMA three-dimensional code as reference model for the comparisons, is used. The limitations inherent to the reactivity balance of the point models used in the transients calculation, are given. (Author)

Two-dimensional magnetohydrodynamic calculations for a 5 MJ plasma focus

International Nuclear Information System (INIS)

Maxon, S.

1979-01-01

The performance of a 5 MJ plasma focus is calculated using our two-dimensional magnetohydrodynamic (2-D MHD) code. Two configurations are discussed, a solid and a hollow anode. In the case of the hollow anode, we find an instability in the current sheath which has the characteristics of the short wave length sausage instability. As the current sheath reaches the axis, the numerical solution is seen to break down. Just before this time, plasma parameters take on the characteristic values rho/rho 0 = 143, kT/sup i/ = 7.4 keV, B/sub theta/ = 4.7 MG, and V/sub z/ = 60 cm/μs for a zone with r = 0.2 mm. When the numerical solution breaks down, the code shows a splitting of the current sheath (from the axis to the anode) and the loss of a large amount of magnetic energy. Current-sheath stagnation is observed in the hollow anode configuration, also

Three-dimensional static and dynamic reactor calculations by the nodal expansion method

International Nuclear Information System (INIS)

Christensen, B.

1985-05-01

This report reviews various method for the calculation of the neutron-flux- and power distribution in an nuclear reactor. The nodal expansion method (NEM) is especially described in much detail. The nodal expansion method solves the diffusion equation. In this method the reactor core is divided into nodes, typically 10 to 20 cm in each direction, and the average flux in each node is calculated. To obtain the coupling between the nodes the local flux inside each node is expressed by use of a polynomial expansion. The expansion is one-dimensional, so inside each node such three expansions occur. To calculate the expansion coefficients it is necessary that the polynomial expansion is a solution to the one-dimensional diffusion equation. When the one-dimensional diffusion equation is established a term with the transversal leakage occur, and this term is expanded after the same polynomials. The resulting equation system with the expansion coefficients as the unknowns is solved with weigthed residual technique. The nodal expansion method is built into a computer program (also called NEM), which is divided into two parts, one part for steady-state calculations and one part for dynamic calculations. It is possible to take advantage of symmetry properties of the reactor core. The program is very flexible with regard to the number of energy groups, the node size, the flux expansion order and the transverse leakage expansion order. The boundary of the core is described by albedos. The program and input to it are described. The program is tested on a number of examples extending from small theoretical one up to realistic reactor cores. Many calculations are done on the wellknown IAEA benchmark case. The calculations have tested the accuracy and the computing time for various node sizes and polynomial expansions. In the dynamic examples various strategies for variation of the time step-length have been tested. (author)

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.

CLASSIFICATION OF 4-DIMENSIONAL GRADED ALGEBRAS

OpenAIRE

Armour, Aaron; Chen, Hui-Xiang; ZHANG, Yinhuo

2009-01-01

Let k be an algebraically closed field. The algebraic and geometric classification of finite dimensional algebras over k with ch(k) not equal 2 was initiated by Gabriel in [6], where a complete list of nonisomorphic 4-dimensional k-algebras was given and the number of irreducible components of the variety Alg(4) was discovered to be 5. The classification of 5-dimensional k-algebras was done by Mazzola in [10]. The number of irreducible components of the variety Alg(5) is 10. With the dimensio...

Computation of focal values and stability analysis of 4-dimensional systems

Directory of Open Access Journals (Sweden)

Bo Sang

2015-08-01

Full Text Available This article presents a recursive formula for computing the n-th singular point values of a class of 4-dimensional autonomous systems, and establishes the algebraic equivalence between focal values and singular point values. The formula is linear and then avoids complicated integrating operations, therefore the calculation can be carried out by computer algebra system such as Maple. As an application of the formula, bifurcation analysis is made for a quadratic system with a Hopf equilibrium, which can have three small limit cycles around an equilibrium point. The theory and methodology developed in this paper can be used for higher-dimensional systems.

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

Science.gov (United States)

Nagaoka, Tomoaki; Watanabe, Soichi

2010-01-01

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

Solution of two-dimensional equations of neutron transport in 4P0-approximation of spherical harmonics method

International Nuclear Information System (INIS)

Polivanskij, V.P.

1989-01-01

The method to solve two-dimensional equations of neutron transport using 4P 0 -approximation is presented. Previously such approach was efficiently used for the solution of one-dimensional problems. New an attempt is made to apply the approach to solution of two-dimensional problems. Algorithm of the solution is given, as well as results of test neutron-physical calculations. A considerable as compared with diffusion approximation is shown. 11 refs

An alternative pseudo-harmonics methodology; application to the reactors two-dimensional calculations

International Nuclear Information System (INIS)

Abreu, M.P. de.

1988-01-01

An alternative pseudo-harmonics method for two-dimensional reactor calculations is presented together with some one-energy group results, namely, eigenvalue and flux reconstruction. A brief description of the Standard and Modified versions of the method is presented for critical purposes, i.e., it was intended to discuss the previously developed versions and in some sense to improve the solution of the K-th eigenvalue and flux terms of the corresponding expansions. Intense and localized perturbations, where a significant imbalance between neutron production and destruction rates exists, were simulated. Since convergence in flux and eigenvalue were achieved for all test-cases, there is a tendency to consider the alternative method to be very promising for two-dimensional calculations. (author)

First principles calculation of two dimensional antimony and antimony arsenide

Energy Technology Data Exchange (ETDEWEB)

Pillai, Sharad Babu, E-mail: sbpillai001@gmail.com; Narayan, Som; Jha, Prafulla K. [Department. of Physics, Faculty of Science, The M. S. University of Baroda, Vadodara-390002 (India); Dabhi, Shweta D. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar-364001 (India)

2016-05-23

This work focuses on the strain dependence of the electronic properties of two dimensional antimony (Sb) material and its alloy with As (SbAs) using density functional theory based first principles calculations. Both systems show indirect bandgap semiconducting character which can be transformed into a direct bandgap material with the application of relatively small strain.

Development of calculation method for one-dimensional kinetic analysis in fission reactors, including feedback effects

International Nuclear Information System (INIS)

Paixao, S.B.; Marzo, M.A.S.; Alvim, A.C.M.

1986-01-01

The calculation method used in WIGLE code is studied. Because of the non availability of such a praiseworthy solution, expounding the method minutely has been tried. This developed method has been applied for the solution of the one-dimensional, two-group, diffusion equations in slab, axial analysis, including non-boiling heat transfer, accountig for feedback. A steady-state program (CITER-1D), written in FORTRAN 4, has been implemented, providing excellent results, ratifying the developed work quality. (Author) [pt

Compressive Loads on the Lumbar Spine During Lifting: 4D WATBAK versus Inverse Dynamics Calculations

Directory of Open Access Journals (Sweden)

M. H. Cole

2005-01-01

Full Text Available Numerous two- and three-dimensional biomechanical models exist for the purpose of assessing the stresses placed on the lumbar spine during the performance of a manual material handling task. More recently, researchers have utilised their knowledge to develop specific computer-based models that can be applied in an occupational setting; an example of which is 4D WATBAK. The model used by 4D WATBAK bases its predications on static calculations and it is assumed that these static loads reasonably depict the actual dynamic loads acting on the lumbar spine. Consequently, it was the purpose of this research to assess the agreement between the static predictions made by 4D WATBAK and those from a comparable dynamic model. Six individuals were asked to perform a series of five lifting tasks, which ranged from lifting 2.5 kg to 22.5 kg and were designed to replicate the lifting component of the Work Capacity Assessment Test used within Australia. A single perpendicularly placed video camera was used to film each performance in the sagittal plane. The resultant two-dimensional kinematic data were input into the 4D WATBAK software and a dynamic biomechanical model to quantify the compression forces acting at the L4/L5 intervertebral joint. Results of this study indicated that as the mass of the load increased from 2.5 kg to 22.5 kg, the static compression forces calculated by 4D WATBAK became increasingly less than those calculated using the dynamic model (mean difference ranged from 22.0% for 2.5 kg to 42.9% for 22.5 kg. This study suggested that, for research purposes, a validated three-dimensional dynamic model should be employed when a task becomes complex and when a more accurate indication of spinal compression or shear force is required. Additionally, although it is clear that 4D WATBAK is particularly suited to industrial applications, it is suggested that the limitations of such modelling tools be carefully considered when task-risk and employee

K-FIX: a computer program for transient, two-dimensional, two-fluid flow. THREED: an extension of the K-FIX code for three-dimensional calculations

International Nuclear Information System (INIS)

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

1978-10-01

The transient, two-dimensional, two-fluid code K-FIX has been extended to perform three-dimensional calculations. This capability is achieved by adding five modification sets of FORTRAN statements to the basic two-dimensional code. The modifications are listed and described, and a complete listing of the three-dimensional code is provided. Results of an example problem are provided for verification

Three-dimensional TDHF calculation for reactions of unstable nuclei

Energy Technology Data Exchange (ETDEWEB)

Kim, Ka-Hae; Otsuka, Takaharu [Tokyo Univ. (Japan). Dept. of Physics; Bonche, P.

1998-07-01

The fusion is studied for reactions between a stable and an unstable nuclei with neutron skin. The reactions {sup 16,28}O+{sup 40}Ca and {sup 16}O+{sup 16,28}O are taken as examples, and the three-dimensional time-dependent Hartree-Fock method with the full Skyrme interaction is used. It is confirmed that the fusion cross section in low-energy region is sensitive to the interaction used in the calculation. (author)

SWAT4.0 - The integrated burnup code system driving continuous energy Monte Carlo codes MVP, MCNP and deterministic calculation code SRAC

International Nuclear Information System (INIS)

Kashima, Takao; Suyama, Kenya; Takada, Tomoyuki

2015-03-01

There have been two versions of SWAT depending on details of its development history: the revised SWAT that uses the deterministic calculation code SRAC as a neutron transportation solver, and the SWAT3.1 that uses the continuous energy Monte Carlo code MVP or MCNP5 for the same purpose. It takes several hours, however, to execute one calculation by the continuous energy Monte Carlo code even on the super computer of the Japan Atomic Energy Agency. Moreover, two-dimensional burnup calculation is not practical using the revised SWAT because it has problems on production of effective cross section data and applying them to arbitrary fuel geometry when a calculation model has multiple burnup zones. Therefore, SWAT4.0 has been developed by adding, to SWAT3.1, a function to utilize the deterministic code SARC2006, which has shorter calculation time, as an outer module of neutron transportation solver for burnup calculation. SWAT4.0 has been enabled to execute two-dimensional burnup calculation by providing an input data template of SRAC2006 to SWAT4.0 input data, and updating atomic number densities of burnup zones in each burnup step. This report describes outline, input data instruction, and examples of calculations of SWAT4.0. (author)

Gas dynamics of H II regions. II. Two-dimensional axisymmetric calculations

International Nuclear Information System (INIS)

Bodenheimer, P.; Tenorio-Tagle, G.; Yorke, H.W.

1979-01-01

The evolution of H II regions is calculated with a two-dimensional hydrodynamic numerical procedure under the assumption that the exciting star is born within a cool molecular cloud whose density is about 10 3 particles cm -3 . As the ionization of the cloud's edge is completed, a large pressure gradient is set up and ionized cloud material expands into the ionized low-density (1 particle cm -3 ) intercloud medium, with velocities larger than 30 km s -1 .The calculations are made under the simplifying assumptions that (i) within the H II region, ionization equilibrium holds at all times, (ii) the ionization front is a discontinuity, thus its detailed structure is not calculated, (iii) the temperature of each region (H II region, neutral cloud, and intercloud medium) is constant in time, (iv) all ionizing photons come radially from the exciting star. Four cases are calculated and compared with observations: (1) the edge of the cloud is overrun by a supersonic ionization front, (2) the initial Stroemgren sphere surrounding the star lies deep inside the cloud, thus the cloud's edge is ionized by a subsonic ionization front, (3) the ionization front breaks through two opposite faces of the same cloud simultaneously, (4) the flow encounters an isolated globule of density 10 3 particles cm -3 shortly after emerging from the molecular cloud.The phenomena here considered show how evolving H II regions are an important input of kinetic energy to the interstellar medium

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

International Nuclear Information System (INIS)

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

1992-11-01

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

Parallel processing of two-dimensional Sn transport calculations

International Nuclear Information System (INIS)

Uematsu, M.

1997-01-01

A parallel processing method for the two-dimensional S n transport code DOT3.5 has been developed to achieve a drastic reduction in computation time. In the proposed method, parallelization is achieved with angular domain decomposition and/or space domain decomposition. The calculational speed of parallel processing by angular domain decomposition is largely influenced by frequent communications between processing elements. To assess parallelization efficiency, sample problems with up to 32 x 32 spatial meshes were solved with a Sun workstation using the PVM message-passing library. As a result, parallel calculation using 16 processing elements, for example, was found to be nine times as fast as that with one processing element. As for parallel processing by geometry segmentation, the influence of processing element communications on computation time is small; however, discontinuity at the segment boundary degrades convergence speed. To accelerate the convergence, an alternate sweep of angular flux in conjunction with space domain decomposition and a two-step rescaling method consisting of segmentwise rescaling and ordinary pointwise rescaling have been developed. By applying the developed method, the number of iterations needed to obtain a converged flux solution was reduced by a factor of 2. As a result, parallel calculation using 16 processing elements was found to be 5.98 times as fast as the original DOT3.5 calculation

Two-dimensional discrete ordinates photon transport calculations for brachytherapy dosimetry applications

International Nuclear Information System (INIS)

Daskalov, G.M.; Baker, R.S.; Little, R.C.; Rogers, D.W.O.; Williamson, J.F.

2000-01-01

The DANTSYS discrete ordinates computer code system is applied to quantitative estimation of water kerma rate distributions in the vicinity of discrete photon sources with energies in the 20- to 800-keV range in two-dimensional cylindrical r-z geometry. Unencapsulated sources immersed in cylindrical water phantoms of 40-cm diameter and 40-cm height are modeled in either homogeneous phantoms or shielded by Ti, Fe, and Pb filters with thicknesses of 1 and 2 mean free paths. The obtained dose results are compared with corresponding photon Monte Carlo simulations. A 210-group photon cross-section library for applications in this energy range is developed and applied, together with a general-purpose 42-group library developed at Los Alamos National Laboratory, for DANTSYS calculations. The accuracy of DANTSYS with the 42-group library relative to Monte Carlo exhibits large pointwise fluctuations from -42 to +84%. The major cause for the observed discrepancies is determined to be the inadequacy of the weighting function used for the 42-group library derivation. DANTSYS simulations with a finer 210-group library show excellent accuracy on and off the source transverse plane relative to Monte Carlo kerma calculations, varying from minus4.9 to 3.7%. The P 3 Legendre polynomial expansion of the angular scattering function is shown to be sufficient for accurate calculations. The results demonstrate that DANTSYS is capable of calculating photon doses in very good agreement with Monte Carlo and that the multigroup cross-section library and efficient techniques for mitigation of ray effects are critical for accurate discrete ordinates implementation

Continuous Energy, Multi-Dimensional Transport Calculations for Problem Dependent Resonance Self-Shielding

International Nuclear Information System (INIS)

Downar, T.

2009-01-01

The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multi-dimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system. The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multidimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system. Specifically, the methods here utilize the existing continuous energy SCALE5 module, CENTRM, and the multi-dimensional discrete ordinates solver, NEWT to develop a new code, CENTRM( ) NEWT. The work here addresses specific theoretical limitations in existing CENTRM resonance treatment, as well as investigates advanced numerical and parallel computing algorithms for CENTRM and NEWT in order to reduce the computational burden. The result of the work here will be a new computer code capable of performing problem dependent self-shielding analysis for both existing and proposed GENIV fuel designs. The objective of the work was to have an immediate impact on the safety analysis of existing reactors through improvements in the calculation of fuel temperature effects, as well as on the analysis of more sophisticated GENIV/NGNP systems through improvements in the depletion/transmutation of actinides for Advanced Fuel Cycle Initiatives.

Two-dimensional nucleonics calculations for a ''FIRST STEP'' conceptual ICF reactor

International Nuclear Information System (INIS)

Davidson, J.W.; Battat, M.E.; Saylor, W.W.; Pendergrass, J.H.; Dudziak, D.J.

1985-01-01

A detailed two-dimensional nucleonic analysis has been performed for the FIRST STEP conceptual ICF reactor blanket design. The reactor concept incorporated in this design is a modified wetted-wall cavity with target illumination geometry left as a design variable. The 2-m radius spherical cavity is surrounded by a blanket containing lithium and 238 U as fertile species and also as energy multipliers. The blanket is configured as 0.6-m-thick cylindrical annuli containing modified LMFBR-type fuel elements with 0.5-m-thick fuel-bearing axial end plugs. Liquid lithium surrounds the inner blanket regions and serves as the coolant for both the blanket and the first wall. The two-dimensional analysis of the blanket performance was made using the 2-D discrete-ordinates code TRISM, and benchmarked with the 3-D Monte Carlo code MCNP. Integral responses including the tritium breeding ratio (TBR), plutonium breeding ratio (PUBR), and blanket energy multiplication were calculated for axial and radial blanket regions. Spatial distributions were calculated for steady-state rates of fission, neutron heating, prompt gamma-ray heating, and fuel breeding

Hyperkaehlerian manifolds and exact β functions of two-dimensional N=4 supersymmetric σ models

International Nuclear Information System (INIS)

Morozov, A.Yu.; Perelomov, A.M.

1984-01-01

Two-dimensional supersymmetric sigma-models on cotangent bundles over CPsup(n) are investigated. These mannfolds are supplied with hyperkaehlerian metrics, and the corresponding σ-models possess N=4 supersymmetry. Also they admit instantonic solutions, which permits to apply the Novikov-Shifman-Vainshtein-Zakharov method and calculate exact β-functions. βsup(gsup(2)) = 0, as was expected

Graphic system for the analysis of representation of a complex three-dimensional configuration for radiation shield calculation

International Nuclear Information System (INIS)

Berezhkov, A.B.; Gordeeva, E.K.; Mazanov, V.L.; Solov'ev, V.Yu.; Ryabov, A.V.; Khokhlov, V.F.; Shejno, I.N.

1987-01-01

Programs for obtaining phantom images when calculating the radiation shield structure for nuclear-engineering plants, using computer graphics, are developed. Programs are designed to accompany calculational investigations using the SUPER2/RRI3-PICSCH program and ZAMOK-TOMOGRAF program comutering complexes. Design geometry techniques, allowing to present three-dimensional object in the form of two-dimensional perspective projection to the screen plane, are realized in the programs

Influence of cusps and intersections on the calculation of the Wilson loop in ν-dimensional space

International Nuclear Information System (INIS)

Bezerra, V.B.

1984-01-01

A discussion is given about the influence of cusps and intersections on the calculation of the Wilson Loop in ν-dimensional space. In particular, for the two-dimensional case, it is shown that there are no divergences. (Author) [pt

OPT-TWO: Calculation code for two-dimensional MOX fuel models in the optimum concentration distribution

International Nuclear Information System (INIS)

Sato, Shohei; Okuno, Hiroshi; Sakai, Tomohiro

2007-08-01

OPT-TWO is a calculation code which calculates the optimum concentration distribution, i.e., the most conservative concentration distribution in the aspect of nuclear criticality safety, of MOX (mixed uranium and plutonium oxide) fuels in the two-dimensional system. To achieve the optimum concentration distribution, we apply the principle of flattened fuel importance distribution with which the fuel system has the highest reactivity. Based on this principle, OPT-TWO takes the following 3 calculation steps iteratively to achieve the optimum concentration distribution with flattened fuel importance: (1) the forward and adjoint neutron fluxes, and the neutron multiplication factor, with TWOTRAN code which is a two-dimensional neutron transport code based on the SN method, (2) the fuel importance, and (3) the quantity of the transferring fuel. In OPT-TWO, the components of MOX fuel are MOX powder, uranium dioxide powder and additive. This report describes the content of the calculation, the computational method, and the installation method of the OPT-TWO, and also describes the application method of the criticality calculation of OPT-TWO. (author)

FINEDAN - an explicit finite-element calculation code for two-dimensional analyses of fast dynamic transients in nuclear reactor technology

International Nuclear Information System (INIS)

Adamik, V.; Matejovic, P.

1989-01-01

The problems are discussed of nonstationary, nonlinear dynamics of the continuum. A survey is presented of calculation methods in the given area with emphasis on the area of impact problems. A description is presented of the explicit finite elements method and its application to two-dimensional Cartesian and cylindrical configurations. Using the method the explicit calculation code FINEDAN was written which was tested in a series of verification calculations for different configurations and different types of continuum. The main characteristics are presented of the code and of some, of its practical applications. Envisaged trends of the development of the code and its possible applications in the technology of nuclear reactors are given. (author). 9 figs., 4 tabs., 10 refs

HAMMER, 1-D Multigroup Neutron Transport Infinite System Cell Calculation for Few-Group Diffusion Calculation

International Nuclear Information System (INIS)

Honeck, H.C.

1984-01-01

1 - Description of problem or function: HAMMER performs infinite lattice, one-dimensional cell multigroup calculations, followed (optionally) by one-dimensional, few-group, multi-region reactor calculations with neutron balance edits. 2 - Method of solution: Infinite lattice parameters are calculated by means of multigroup transport theory, composite reactor parameters by few-group diffusion theory. 3 - Restrictions on the complexity of the problem: - Cell calculations - maxima of: 30 thermal groups; 54 epithermal groups; 20 space points; 20 regions; 18 isotopes; 10 mixtures; 3 thermal up-scattering mixtures; 200 resonances per group; no overlap or interference; single level only. - Reactor calculations - maxima of : 40 regions; 40 mixtures; 250 space points; 4 groups

A finite element method for calculating the 3-dimensional magnetic fields of cyclotron

International Nuclear Information System (INIS)

Zhao Xiaofeng

1986-01-01

A series of formula of the finite element method (scalar potential) for calculating the three-dimensional magnetic field of the main magnet of a sector focused cyclotron, and the realization method of the periodic boundary conditions in the code are given

TRIPOLI-4.3.3 and 4.4, Coupled Neutron, Photon, Electron, Positron 3-D, Time Dependent Monte-Carlo, Transport Calculation

International Nuclear Information System (INIS)

Both, J.P.; Mazzolo, A.; Petit, O.; Peneliau, Y.; Roesslinger, B.

2008-01-01

1 - Description of program or function: TRIPOLI-4 is a general purpose radiation transport code. It uses the Monte Carlo method to simulate neutron and photon behaviour in three-dimensional geometries. The main areas of applications include but are not restricted to: radiation protection and shielding, nuclear criticality safety, fission and fusion reactor design, nuclear instrumentation. In addition, it can simulate electron-photon cascade showers. It computes particle fluxes and currents and several related physical quantities such as, reaction rates, dose rates, heating, energy deposition, effective multiplication factor, perturbation effects due to density, concentration or partial cross-section variations. The summary precises the types of particles, the nuclear data format and cross sections, the energy ranges, the geometry, the sources, the calculated physical quantities and estimators, the biasing, the time-dependant transport for neutrons, the perturbation, the coupled particle transport and the qualification benchmarks. Data libraries distributed with the TRIPOLI-4: ENDFB6R4, ENDL, JEF2, Mott-Rutherford and Qfission. NEA-1716/04: TRIPOLI-4.4 does not contain the source programs. New features available in TRIPOLI-4 version 4 concern the following points: New biasing features, neutron collision in multigroup homogenized mode, display of the collision sites, ENDF format evaluations, computation of the gamma source produced by neutrons, output format for all results, Verbose level for output warnings, photons reactions rates, XML format output, ENDF format evaluations, combinatorial geometry checks, Green's functions files, and neutronics-shielding coupling. 2 - Methods: The geometry package allows the user to describe a three dimensional configuration by means of surfaces (as in the MCNP code) and also through predefined shapes combine with operators (union, intersection, subtraction...). It is also possible to repeat a pattern to built a network of networks

Argosy 4 - A programme for lattice calculations

International Nuclear Information System (INIS)

MacDougall, J.D.

1965-07-01

This report contains a detailed description of the methods of calculation used in the Argosy 4 computer programme, and of the input requirements and printed results produced by the programme. An outline of the physics of the Argosy method is given. Section 2 describes the lattice calculation, including the burn up calculation, section 3 describes the control rod calculation and section 4 the reflector calculation. In these sections the detailed equations solved by the programme are given. In section 5 input requirements are given, and in section 6 the printed output obtained from an Argosy calculation is described. In section 7 are noted the principal differences between Argosy 4 and earlier versions of the Argosy programme

The analysis of RPV fast neutron flux calculation for PWR with three-dimensional SN method

International Nuclear Information System (INIS)

Yang Shouhai; Chen Yixue; Wang Weijin; Shi Shengchun; Lu Daogang

2011-01-01

Discrete ordinates (S N ) method is one of the most widely used method for reactor pressure vessel (RPV) design. As the fast development of computer CPU speed and memory capacity and consummation of three-dimensional discrete-ordinates method, it is mature for 3-D S N method to be used to engineering design for nuclear facilities. This work was done specifically for PWR model, with the results of 3-D core neutron transport calculation by 3-D core calculation, 3-D RPV fast neutron flux distribution obtain by 3-D S N method were compared with gained by 1-D and 2-D S N method and the 3-D Monte Carlo (MC) method. In this paper, the application of three-dimensional S N method in calculating RPV fast neutron flux distribution for pressurized water reactor (PWR) is presented and discussed. (authors)

Accelerating three-dimensional FDTD calculations on GPU clusters for electromagnetic field simulation.

Science.gov (United States)

Nagaoka, Tomoaki; Watanabe, Soichi

2012-01-01

Electromagnetic simulation with anatomically realistic computational human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the computational human model, we adapt three-dimensional FDTD code to a multi-GPU cluster environment with Compute Unified Device Architecture and Message Passing Interface. Our multi-GPU cluster system consists of three nodes. The seven GPU boards (NVIDIA Tesla C2070) are mounted on each node. We examined the performance of the FDTD calculation on multi-GPU cluster environment. We confirmed that the FDTD calculation on the multi-GPU clusters is faster than that on a multi-GPU (a single workstation), and we also found that the GPU cluster system calculate faster than a vector supercomputer. In addition, our GPU cluster system allowed us to perform the large-scale FDTD calculation because were able to use GPU memory of over 100 GB.

FLICA-4 (version 1) a computer code for three dimensional thermal analysis of nuclear reactor cores

International Nuclear Information System (INIS)

Raymond, P.; Allaire, G.; Boudsocq, G.

1995-01-01

FLICA-4 is a thermal-hydraulic computer code developed at the French Energy Atomic Commission (CEA) for three dimensional steady state or transient two phase flow for design and safety thermal analysis of nuclear reactor cores. The two phase flow model of FLICA-4 is based on four balance equations for the fluid which includes: three balance equations for the mixture and a mass balance equation for the less concentrated phase which permits the calculation of non-equilibrium flows as sub cooled boiling and superheated steam. A drift velocity model takes into account the velocity disequilibrium between phases. The thermal behaviour of fuel elements can be computed by a one dimensional heat conduction equation in plane, cylindrical or spherical geometries and coupled to the fluid flow calculation. Convection and diffusion of solution products which are transported either by the liquid or by the gas, can be evaluated by solving specific mass conservation equations. A one dimensional two phase flow model can also be used to compute 1-D flow in pipes, guide tubes, BWR assemblies or RBMK channels. The FLICA-4 computer code uses fast running time steam-water functions. Phasic and saturation physical properties are computed by using bi-cubic spline functions. Polynomial coefficients are tabulated from 0.1 to 22 MPa and 0 to 800 degrees C. Specific modules can be utilised in order to generate the spline coefficients for any other fluid properties

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.)

First-principles calculation of electronic transport in low-dimensional disordered superconductors

Science.gov (United States)

Conduit, G. J.; Meir, Y.

2011-08-01

We present a novel formulation to calculate transport through disordered superconductors connected between two metallic leads. An exact analytical expression for the current is derived and applied to a superconducting sample described by the negative-U Hubbard model. A Monte Carlo algorithm that includes thermal phase and amplitude fluctuations of the superconducting order parameter is employed, and a new efficient algorithm is described. This improved routine allows access to relatively large systems, which we demonstrate by applying it to several cases, including superconductor-normal interfaces and Josephson junctions. Moreover, we can link the phenomenological parameters describing these effects to the underlying microscopic variables. The effects of decoherence and dephasing are shown to be included in the formulation, which allows the unambiguous characterization of the Kosterlitz-Thouless transition in two-dimensional systems and the calculation of the finite resistance due to vortex excitations in quasi-one-dimensional systems. Effects of magnetic fields can be easily included in the formalism, and are demonstrated for the Little-Parks effect in superconducting cylinders. Furthermore, the formalism enables us to map the local super and normal currents, and the accompanying electrical potentials, which we use to pinpoint and visualize the emergence of resistance across the superconductor-insulator transition.

SU-F-T-381: Fast Calculation of Three-Dimensional Dose Considering MLC Leaf Positional Errors for VMAT Plans

Energy Technology Data Exchange (ETDEWEB)

Katsuta, Y [Takeda General Hospital, Aizuwakamatsu City, Fukushima (Japan); Tohoku University Graduate School of Medicine, Sendal, Miyagi (Japan); Kadoya, N; Jingu, K [Tohoku University Graduate School of Medicine, Sendal, Miyagi (Japan); Shimizu, E; Majima, K [Takeda General Hospital, Aizuwakamatsu City, Fukushima (Japan)

2016-06-15

Purpose: In this study, we developed a system to calculate three dimensional (3D) dose that reflects dosimetric error caused by leaf miscalibration for head and neck and prostate volumetric modulated arc therapy (VMAT) without additional treatment planning system calculation on real time. Methods: An original system called clarkson dose calculation based dosimetric error calculation to calculate dosimetric error caused by leaf miscalibration was developed by MATLAB (Math Works, Natick, MA). Our program, first, calculates point doses at isocenter for baseline and modified VMAT plan, which generated by inducing MLC errors that enlarged aperture size of 1.0 mm with clarkson dose calculation. Second, error incuced 3D dose was generated with transforming TPS baseline 3D dose using calculated point doses. Results: Mean computing time was less than 5 seconds. For seven head and neck and prostate plans, between our method and TPS calculated error incuced 3D dose, the 3D gamma passing rates (0.5%/2 mm, global) are 97.6±0.6% and 98.0±0.4%. The dose percentage change with dose volume histogram parameter of mean dose on target volume were 0.1±0.5% and 0.4±0.3%, and with generalized equivalent uniform dose on target volume were −0.2±0.5% and 0.2±0.3%. Conclusion: The erroneous 3D dose calculated by our method is useful to check dosimetric error caused by leaf miscalibration before pre treatment patient QA dosimetry checks.

Two dimensional magnetic field calculations for the SSC dipole magnets

International Nuclear Information System (INIS)

Krefta, M.P.; Pavlik, D.

1991-01-01

In this work two-dimensional methods are used to calculate the magnetic fields throughout the cross section of a SSC dipole magnet. Analytic techniques, which are based on closed form solutions to the defining field equations, are used to calculate the multipole content for any specified conductor positioning. The method is extended to investigate the effects of radial slots or keyways in the iron yoke. The multipole components of field, directly attributable to the slots or keyways, are examined as a function of size and location. It is shown that locating the slots or keyways at the magnet pole centers has a large effect on the multipole components; whereas, locating the keyways between the magnet poles has little effect on any of the multipoles. The investigation of nonlinear effects such as ferromagnetic saturation or superconductor magnetization relies on the use of numerical methods such as the finite element method. The errors associated with these codes are explained in terms of numerical round-off, spatial discretization error and the representation of distant boundaries. A method for increasing the accuracy of the multipole calculation from finite element solutions is set forth. It is shown that calculated multipole coefficients are sensitive to boundary conditions external to the cold mass during conditions of magnetic saturation

Effect of local automatic control rods on three-dimensional calculations of the power distribution in an RBMK

International Nuclear Information System (INIS)

Pogosbekyan, L.R.; Lysov, D.A.; Bronitskii, L.L.

1993-01-01

Numerical simulators and information systems that support nuclear reactor operators must have fast models to estimate how fuel reloads and control rod displacement affect neutron and power distributions in the core. The consequences of reloads and control rod displacement cannot be evaluated correctly without considering local automatic control-rod operations in maintaining the radial power distribution. Fast three-dimensional models to estimate the effects of reloads and displacement of the control and safety rods have already been examined. I.V. Zonov et al. used the following assumptions in their calculational model: (1) the full-scale problem could be reduced a three-dimensional fragment of a locally perturbed core, and (2) the boundary conditions of the fragment and its total power were constant. The last assumption considers approximately how local automatic control rods stabilize the radial power distribution, but three dimensional calculations with these rods are not considered. These assumptions were introduced to obtain high computational speed. I.L. Bronitskii et al. considered in more detail how moving the local automatic control rods affect the power dimensional in the three-dimensional fragment, because, with on-line monitoring of the reload process, information on control rod positions is periodically renewed, and the calculations are done in real time. This model to predict the three-dimensional power distribution to (1) do a preliminary reload analysis, and (2) prepare the core for reloading did not consider the effect of perturbations from the local automatic control rods. Here we examine a model of a stationary neutron distribution. On one hand it gives results in an acceptable computation time; on the other it is a full-scale three-dimensional model and considers how local automatic control rods affect both the radial and axial power distribution

Quantum Monte Carlo calculation of the Fermi-liquid parameters in the two-dimensional electron gas

International Nuclear Information System (INIS)

Kwon, Y.; Ceperley, D.M.; Martin, R.M.

1994-01-01

Excitations of the two-dimensional electron gas, including many-body effects, are calculated with a variational Monte Carlo method. Correlated sampling is introduced to calculate small energy differences between different excitations. The usual pair-product (Slater-Jastrow) trial wave function is found to lack certain correlations entirely so that backflow correlation is crucial. From the excitation energies calculated here, we determine Fermi-liquid parameters and related physical quantities such as the effective mass and the Lande g factor of the system. Our results for the effective mass are compared with previous analytic calculations

Three dimensional model calculations of the global dispersion of high speed aircraft exhaust and implications for stratospheric ozone loss

Science.gov (United States)

Douglass, Anne R.; Rood, Richard B.; Jackman, Charles H.; Weaver, Clark J.

1994-01-01

Two-dimensional (zonally averaged) photochemical models are commonly used for calculations of ozone changes due to various perturbations. These include calculating the ozone change expected as a result of change in the lower stratospheric composition due to the exhaust of a fleet of supersonic aircraft flying in the lower stratosphere. However, zonal asymmetries are anticipated to be important to this sort of calculation. The aircraft are expected to be restricted from flying over land at supersonic speed due to sonic booms, thus the pollutant source will not be zonally symmetric. There is loss of pollutant through stratosphere/troposphere exchange, but these processes are spatially and temporally inhomogeneous. Asymmetry in the pollutant distribution contributes to the uncertainty in the ozone changes calculated with two dimensional models. Pollutant distributions for integrations of at least 1 year of continuous pollutant emissions along flight corridors are calculated using a three dimensional chemistry and transport model. These distributions indicate the importance of asymmetry in the pollutant distributions to evaluation of the impact of stratospheric aircraft on ozone. The implications of such pollutant asymmetries to assessment calculations are discussed, considering both homogeneous and heterogeneous reactions.

Magnetic monopoles in 4D: a perturbative calculation

Energy Technology Data Exchange (ETDEWEB)

Khvedelidze, Arsen [Department of Theoretical Physics, A.M.Razmadze Mathematical Institute, Tbilisi, GE-0193 (Georgia); McMullan, David [School of Mathematics and Statistics, University of Plymouth, Drake Circus, Plymouth PL4 8AA (United Kingdom); Kovner, Alex [Physics Department, University of Connecticut, 2152 Hillside Road, Storrs, CT 06269-3046 (United States)

2006-01-15

We address the question of defining the second quantised monopole creation operator in the 3+1 dimensional Georgi-Glashow model, and calculating its expectation value in the confining phase. Our calculation is performed directly in the continuum theory within the framework of perturbation theory. We find that, although it is possible to define the 'coherent state' operator M(x) that creates the Coulomb magnetic field, the dependence of this operator on the Dirac string does not disappear even in the nonabelian theory. This is due to the presence of the charged fields (W{sup {+-}}). We also set up the calculation of the expectation value of this operator in the confining phase and show that it is not singular along the Dirac string. We find that in the leading order of the perturbation theory the VEV vanishes as a power of the volume of the system. This is in accordance with our naive expectation. We expect that nonperturbative effects will introduce an effective infrared cutoff on the calculation making the VEV finite.

Magnetic monopoles in 4D: a perturbative calculation

International Nuclear Information System (INIS)

Khvedelidze, Arsen; McMullan, David; Kovner, Alex

2006-01-01

We address the question of defining the second quantised monopole creation operator in the 3+1 dimensional Georgi-Glashow model, and calculating its expectation value in the confining phase. Our calculation is performed directly in the continuum theory within the framework of perturbation theory. We find that, although it is possible to define the 'coherent state' operator M(x) that creates the Coulomb magnetic field, the dependence of this operator on the Dirac string does not disappear even in the nonabelian theory. This is due to the presence of the charged fields (W ± ). We also set up the calculation of the expectation value of this operator in the confining phase and show that it is not singular along the Dirac string. We find that in the leading order of the perturbation theory the VEV vanishes as a power of the volume of the system. This is in accordance with our naive expectation. We expect that nonperturbative effects will introduce an effective infrared cutoff on the calculation making the VEV finite

The reaction rate for dissociative adsorption of N-2 on stepped Ru(0001): Six-dimensional quantum calculations

DEFF Research Database (Denmark)

van Harrevelt, Rob; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet

2005-01-01

Quantum-mechanical calculations of the reaction rate for dissociative adsorption of N-2 on stepped Ru(0001) are presented. Converged six-dimensional quantum calculations for this heavy-atom reaction have been performed using the multiconfiguration time-dependent Hartree method. A potential...

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.

Fully-converged three-dimensional collision-induced dissociation calculations with Faddeev-AGS theory

International Nuclear Information System (INIS)

Haftel, M.I.; Lim, T.K.

1981-09-01

The first fully-converged quantum-mechanical calculation of the collision-induced dissociation cross section in a three-dimensional-model system of three helium-like atoms is reported. Faddeev-AGS theory is used. It yields as a bonus the elastic atom-diatom cross section. The obtained results resemble those from some collinear models but indicate clearly the futility of multiple-scattering approximations except at hyperthermal energies. (orig.)

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

Calculation of three-dimensional fluid flow with multiple free surfaces

International Nuclear Information System (INIS)

Vander Vorst, M.J.; Chan, R.K.C.

1978-01-01

This paper presents a method for computing incompressible fluid flows with multiple free surfaces which are not restricted in their orientation. The method is presented in the context of the three-dimensional flow in a Mark I reactor pressure suppression system immediately following a postulated loss of coolant accident. The assumption of potential flow is made. The numerical method is a mixed Eulerian-Lagrangian formulation with the interior treated as Eulerian and the free surfaces as Lagrangian. The accuracy of solution hinges on the careful treatment of two important aspects. First, the Laplace equation for the potential is solved at interior points of the Eulerian finite difference mesh using a three-dimensional ''irregular star'' so that boundary conditions can be imposed at the exact position of the free surface. Second, the Lagrangian free surfaces are composed of triangular elements, upon each vertex of which is applied the fully nonlinear Bernoulli equation. One result of these calculations is the transient load on the suppression vessel during the vent clearing and bubble formation events of a loss of coolant accident

We live in the quantum 4-dimensional Minkowski space-time

OpenAIRE

Hwang, W-Y. Pauchy

2015-01-01

We try to define "our world" by stating that "we live in the quantum 4-dimensional Minkowski space-time with the force-fields gauge group $SU_c(3) \\times SU_L(2) \\times U(1) \\times SU_f(3)$ built-in from the outset". We begin by explaining what "space" and "time" are meaning for us - the 4-dimensional Minkowski space-time, then proceeding to the quantum 4-dimensional Minkowski space-time. In our world, there are fields, or, point-like particles. Particle physics is described by the so-called ...

From Two- to Three-Dimensional Structures of a Supertetrahedral Boran Using Density Functional Calculations.

Science.gov (United States)

Getmanskii, Iliya V; Minyaev, Ruslan M; Steglenko, Dmitrii V; Koval, Vitaliy V; Zaitsev, Stanislav A; Minkin, Vladimir I

2017-08-14

With help of the DFT calculations and imposing of periodic boundary conditions the geometrical and electronic structures were investigated of two- and three-dimensional boron systems designed on the basis of graphane and diamond lattices in which carbons were replaced with boron tetrahedrons. The consequent studies of two- and three-layer systems resulted in the construction of a three-dimensional supertetrahedral borane crystal structure. The two-dimensional supertetrahedral borane structures with less than seven layers are dynamically unstable. At the same time the three-dimensional superborane systems were found to be dynamically stable. Lack of the forbidden electronic zone for the studied boron systems testifies that these structures can behave as good conductors. The low density of the supertetrahedral borane crystal structures (0.9 g cm -3 ) is close to that of water, which offers the perspective for their application as aerospace and cosmic materials. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Calculation of accurate albedo boundary conditions for three-dimensional nodal diffusion codes by the method of characteristics

International Nuclear Information System (INIS)

Petkov, Petko T.

2000-01-01

Most of the few-group three-dimensional nodal diffusion codes used for neutronics calculations of the WWER reactors use albedo type boundary conditions on the core-reflector boundary. The conventional albedo are group-to-group reflection probabilities, defined on each outer node face. The method of characteristics is used to calculate accurate albedo by the following procedure. A many-group two-dimensional heterogeneous core-reflector problem, including a sufficient part of the core and detailed description of the adjacent reflector, is solved first. From this solution the angular flux on the core-reflector boundary is calculated in all groups for all traced neutron directions. Accurate boundary conditions can be calculated for the radial, top and bottom reflectors as well as for the absorber part of the WWER-440 reactor control assemblies. The algorithm can be used to estimate also albedo, coupling outer node faces on the radial reflector in the axial direction. Numerical results for the WWER-440 reactor are presented. (Authors)

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

International Nuclear Information System (INIS)

Toumi, I.

1995-01-01

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

Two-dimensional magnetohydrodynamic calculations for a 5 MJ plasma focus

International Nuclear Information System (INIS)

Maxon, S.

1983-01-01

This article describes the calculation of the performance of a 5 MJ plasma focus using a two-dimensional magnetohydrodynamic (2-D MHD) code. Discusses two configurations, a solid and a hollow anode. Finds an instability in the current sheath of the hollow anode which has the characteristics of the short wave length sausage instability. As the current sheath reaches the axis, the numerical solution is seen to break down. When the numerical solution breaks down, the code shows a splitting of the current sheath (from the axis to the anode) and the loss of a large amount of magnetic energy. Current-sheath stagnation is observed in the hollow anode configuration

The development of a collapsing method for the mixed group and point cross sections and its application on multi-dimensional deep penetration calculations

International Nuclear Information System (INIS)

Bor-Jing Chang; Yen-Wan H. Liu

1992-01-01

The HYBRID, or mixed group and point, method was developed to solve the neutron transport equation deterministically using detailed treatment at cross section minima for deep penetration calculations. Its application so far is limited to one-dimensional calculations due to the enormous computing time involved in multi-dimensional calculations. In this article, a collapsing method is developed for the mixed group and point cross section sets to provide a more direct and practical way of using the HYBRID method in the multi-dimensional calculations. A testing problem is run. The method is then applied to the calculation of a deep penetration benchmark experiment. It is observed that half of the window effect is smeared in the collapsing treatment, but it still provide a better cross section set than the VITAMIN-C cross sections for the deep penetrating calculations

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

IRIS core criticality calculations

International Nuclear Information System (INIS)

Jecmenica, R.; Trontl, K.; Pevec, D.; Grgic, D.

2003-01-01

Three-dimensional Monte Carlo computer code KENO-VI of CSAS26 sequence of SCALE-4.4 code system was applied for pin-by-pin calculations of the effective multiplication factor for the first cycle IRIS reactor core. The effective multiplication factors obtained by the above mentioned Monte Carlo calculations using 27-group ENDF/B-IV library and 238-group ENDF/B-V library have been compared with the effective multiplication factors achieved by HELIOS/NESTLE, CASMO/SIMULATE, and modified CORD-2 nodal calculations. The results of Monte Carlo calculations are found to be in good agreement with the results obtained by the nodal codes. The discrepancies in effective multiplication factor are typically within 1%. (author)

Finite-temperature symmetry restoration in the four-dimensional Φ4 model with four components

International Nuclear Information System (INIS)

Jansen, K.

1990-01-01

The finite-temperature symmetry restoration in the four-dimensional φ 4 theory with four components and with an infinite self-coupling is studied by means of Monte Carlo simulations on lattices with time extensions L t =4,5,6 and space extensions 12 3 -28 3 . The numerical calculations are done by means of the Wolff cluster algorithm which is very efficient for simulations near a phase transition. The numerical results are in good agreement with an improved one-loop expansion and with the 1/N-expansion, indicating that in the electroweak theory the symmetry restoration temperature T sr is about 350 GeV. (orig.)

Spontaneous symmetry breaking in 4-dimensional heterotic string

International Nuclear Information System (INIS)

Maharana, J.

1989-07-01

The evolution of a 4-dimensional heterotic string is considered in the background of its massless excitations such as graviton, antisymmetric tensor, gauge fields and scalar bosons. The compactified bosonic coordinates are fermionized. The world-sheet supersymmetry requirement enforces Thirring-like four fermion coupling to the background scalar fields. The non-abelian gauge symmetry is exhibited through the Ward identities of the S-matrix elements. The spontaneous symmetry breaking mechanism is exhibited through the broken Ward identities. An effective 4-dimensional action is constructed and the consequence of spontaneous symmetry breaking is envisaged for the effective action. 19 refs

Supersymmetric dimensional regularization

International Nuclear Information System (INIS)

Siegel, W.; Townsend, P.K.; van Nieuwenhuizen, P.

1980-01-01

There is a simple modification of dimension regularization which preserves supersymmetry: dimensional reduction to real D < 4, followed by analytic continuation to complex D. In terms of component fields, this means fixing the ranges of all indices on the fields (and therefore the numbers of Fermi and Bose components). For superfields, it means continuing in the dimensionality of x-space while fixing the dimensionality of theta-space. This regularization procedure allows the simple manipulation of spinor derivatives in supergraph calculations. The resulting rules are: (1) First do all algebra exactly as in D = 4; (2) Then do the momentum integrals as in ordinary dimensional regularization. This regularization procedure needs extra rules before one can say that it is consistent. Such extra rules needed for superconformal anomalies are discussed. Problems associated with renormalizability and higher order loops are also discussed

HEU benchmark calculations and LEU preliminary calculations for IRR-1

International Nuclear Information System (INIS)

Caner, M.; Shapira, M.; Bettan, M.; Nagler, A.; Gilat, J.

2004-01-01

We performed neutronics calculations for the Soreq Research Reactor, IRR-1. The calculations were done for the purpose of upgrading and benchmarking our codes and methods. The codes used were mainly WIMS-D/4 for cell calculations and the three dimensional diffusion code CITATION for full core calculations. The experimental flux was obtained by gold wire activation methods and compared with our calculated flux profile. The IRR-1 is loaded with highly enriched uranium fuel assemblies, of the plate type. In the framework of preparation for conversion to low enrichment fuel, additional calculations were done assuming the presence of LEU fresh fuel. In these preliminary calculations we investigated the effect on the criticality and flux distributions of the increase of U-238 loading, and the corresponding uranium density.(author)

Improvement of the efficiency of two-dimensional multigroup transport calculations assuming isotropic reflection with multilevel spatial discretisation

International Nuclear Information System (INIS)

Stankovski, Z.; Zmijarevic, I.

1987-06-01

This paper presents two approximations used in multigroup two-dimensional transport calculations in large, very homogeneous media: isotropic reflection together with recently proposed group-dependent spatial representations. These approximations are implemented as standard options in APOLLO 2 assembly transport code. Presented example calculations show that significant savings in computational costs are obtained while preserving the overall accuracy

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

International Nuclear Information System (INIS)

Reiman, A.; Greenside, H.

1986-08-01

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

Comprehensive calculations of 4p and 4d lifetimes for the Cu sequence

International Nuclear Information System (INIS)

Curtis, L.J.; Theodosiou, C.E.

1989-01-01

Computed lifetimes for the 4p 2 P/sub 1/2/, 4p 2 P/sub 3/2/, 4d 2 D/sub 3/2/, and 4d 2 D/sub 5/2/ levels in the copper isoelectronic sequence are presented for atomic numbers Z = 29--92. These calculations agree well with recent high-precision lifetime measurements, conflict with the isoelectronic trend of single-configuration Dirac-Fock calculations, and agree at lower Z with the multiplet values of multiconfiguration Hartree-Fock calculations using experimental transition energies. Our calculations involve the inclusion of experimental energy-level data and the use of a Hartree-Slater potential to represent the ionic core. It is found that the core-polarization effects are significant and must be included to obtain agreement with experiment, at least for the lower members of the isoelectronic sequence. As part of the study, we have combined semiempirical parametrizations of the existing database with Dirac-Fock calculations to produce a set of values for the ionization potentials and the 4p and 4d excitation energies for all stable ions in this sequence

Three-dimensional calculation analysis of ICRF heating in LHD

International Nuclear Information System (INIS)

Seki, Tetsuo; Kumazawa, Ryuhei; Mutoh, Takashi

2004-01-01

Ion cyclotron range of frequencies (ICRF) heating is one of the heating methods for the fusion plasma experiments and also effective for the helical plasmas. For the purpose of analysis of the ICRF heating in the helical plasmas, the three-dimensional full-wave code has been developed. The feature of the helical system compared with the tokamak device is the strong coupling of the toroidal harmonic modes. They cannot be treated independently. Dependence of the power absorption on the position of the ion cyclotron resonance layer is calculated including all toroidal modes. Strong power absorption was obtained when the position of the resonance layer is slightly different from the experimental results. Difference of the position of the resonance layer in different toroidal angle is thought to be important to achieve the good heating efficiency in the ICRF heating for the helical plasmas. (author)

Method for coupling two-dimensional to three-dimensional discrete ordinates calculations

International Nuclear Information System (INIS)

Thompson, J.L.; Emmett, M.B.; Rhoades, W.A.; Dodds, H.L. Jr.

1985-01-01

A three-dimensional (3-D) discrete ordinates transport code, TORT, has been developed at the Oak Ridge National Laboratory for radiation penetration studies. It is not feasible to solve some 3-D penetration problems with TORT, such as a building located a large distance from a point source, because (a) the discretized 3-D problem is simply too big to fit on the computer or (b) the computing time (and corresponding cost) is prohibitive. Fortunately, such problems can be solved with a hybrid approach by coupling a two-dimensional (2-D) description of the point source, which is assumed to be azimuthally symmetric, to a 3-D description of the building, the region of interest. The purpose of this paper is to describe this hybrid methodology along with its implementation and evaluation in the DOTTOR (Discrete Ordinates to Three-dimensional Oak Ridge Transport) code

Three-dimensional discrete ordinates reactor assembly calculations on GPUs

Energy Technology Data Exchange (ETDEWEB)

Evans, Thomas M [ORNL; Joubert, Wayne [ORNL; Hamilton, Steven P [ORNL; Johnson, Seth R [ORNL; Turner, John A [ORNL; Davidson, Gregory G [ORNL; Pandya, Tara M [ORNL

2015-01-01

In this paper we describe and demonstrate a discrete ordinates sweep algorithm on GPUs. This sweep algorithm is nested within a multilevel comunication-based decomposition based on energy. We demonstrated the effectiveness of this algorithm on detailed three-dimensional critical experiments and PWR lattice problems. For these problems we show improvement factors of 4 6 over conventional communication-based, CPU-only sweeps. These sweep kernel speedups resulted in a factor of 2 total time-to-solution improvement.

Peculiarities of cyclotron magnetic system calculation with the finite difference method using two-dimensional approximation

International Nuclear Information System (INIS)

Shtromberger, N.L.

1989-01-01

To design a cyclotron magnetic system the legitimacy of two-dimensional approximations application is discussed. In all the calculations the finite difference method is used, and the linearization method with further use of the gradient conjugation method is used to solve the set of finite-difference equations. 3 refs.; 5 figs

Reactive scattering with row-orthonormal hyperspherical coordinates. 4. Four-dimensional-space Wigner rotation function for pentaatomic systems.

Science.gov (United States)

Kuppermann, Aron

2011-05-14

The row-orthonormal hyperspherical coordinate (ROHC) approach to calculating state-to-state reaction cross sections and bound state levels of N-atom systems requires the use of angular momentum tensors and Wigner rotation functions in a space of dimension N - 1. The properties of those tensors and functions are discussed for arbitrary N and determined for N = 5 in terms of the 6 Euler angles involved in 4-dimensional space.

Three-Dimensional Navier-Stokes Calculations Using the Modified Space-Time CESE Method

Science.gov (United States)

Chang, Chau-lyan

2007-01-01

The space-time conservation element solution element (CESE) method is modified to address the robustness issues of high-aspect-ratio, viscous, near-wall meshes. In this new approach, the dependent variable gradients are evaluated using element edges and the corresponding neighboring solution elements while keeping the original flux integration procedure intact. As such, the excellent flux conservation property is retained and the new edge-based gradients evaluation significantly improves the robustness for high-aspect ratio meshes frequently encountered in three-dimensional, Navier-Stokes calculations. The order of accuracy of the proposed method is demonstrated for oblique acoustic wave propagation, shock-wave interaction, and hypersonic flows over a blunt body. The confirmed second-order convergence along with the enhanced robustness in handling hypersonic blunt body flow calculations makes the proposed approach a very competitive CFD framework for 3D Navier-Stokes simulations.

Development of Monte Carlo decay gamma-ray transport calculation system

Energy Technology Data Exchange (ETDEWEB)

Sato, Satoshi [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment; Kawasaki, Nobuo [Fujitsu Ltd., Tokyo (Japan); Kume, Etsuo [Japan Atomic Energy Research Inst., Center for Promotion of Computational Science and Engineering, Tokai, Ibaraki (Japan)

2001-06-01

In the DT fusion reactor, it is critical concern to evaluate the decay gamma-ray biological dose rates after the reactor shutdown exactly. In order to evaluate the decay gamma-ray biological dose rates exactly, three dimensional Monte Carlo decay gamma-ray transport calculation system have been developed by connecting the three dimensional Monte Carlo particle transport calculation code and the induced activity calculation code. The developed calculation system consists of the following four functions. (1) The operational neutron flux distribution is calculated by the three dimensional Monte Carlo particle transport calculation code. (2) The induced activities are calculated by the induced activity calculation code. (3) The decay gamma-ray source distribution is obtained from the induced activities. (4) The decay gamma-rays are generated by using the decay gamma-ray source distribution, and the decay gamma-ray transport calculation is conducted by the three dimensional Monte Carlo particle transport calculation code. In order to reduce the calculation time drastically, a biasing system for the decay gamma-ray source distribution has been developed, and the function is also included in the present system. In this paper, the outline and the detail of the system, and the execution example are reported. The evaluation for the effect of the biasing system is also reported. (author)

Development of a 3-dimensional calculation model of the Danish research reactor DR3 to analyse a proposal to a new core design called ring-core

Energy Technology Data Exchange (ETDEWEB)

Nonboel, E

1985-07-01

A 3-dimensional calculation model of the Danish research reactor DR3 has been developed. Demands of a more effective utilization of the reactor and its facilities has required a more detailed calculation tool than applied so far. A great deal of attention has been devoted to the treatment of the coarse control arms. The model has been tested against measurements with satisfying results. Furthermore the model has been used to analyse a proposal to a new core design called ring-core where 4 central fuel elements are replaced by 4 dummy elements to increase the thermal flux in the center of the reactor. (author)

Microscopic calculation of the 4He system

International Nuclear Information System (INIS)

Hofmann, H.M.

1996-01-01

We report on a consistent, microscopic calculation of the bound and scattering states in the 4 He system employing a realistic nucleon-nucleon potential in the framework of the resonating group model (RGM). We present for comparison with these microscopic RGM calculations the results from a charge-independent, Coulomb-corrected R-matrix analysis of all types of data for reactions in the A=4 system. Comparisons are made between the phase shifts, and with a selection of measurements from each reaction, as well as between the resonance spectra obtained from both calculations. In general, the comparisons are favorable, but distinct differences are observed between the RGM calculations and some of the polarisation data. The partial-wave decomposition of the experimental data produced by the R-matrix analysis shows that these differences can be attributed to just a few S-matrix elements, for which inadequate tensor-force strength in the N-N interaction used appears to be responsible. (orig.)

Three-Dimensional Temperature Field Calculation and Analysis of an Axial-Radial Flux-Type Permanent Magnet Synchronous Motor

Directory of Open Access Journals (Sweden)

Dong Li

2018-05-01

Full Text Available This article concentrates on the steady-state thermal characteristics of the Axial-Radial Flux-Type Permanent Magnet Synchronous Motor (ARFTPMSM. Firstly, the three-dimensional mathematical models for electromagnetic calculation and analyses are established, and the machine loss, including the stator loss, armature winding loss, rotor loss, and axial structure loss is calculated by using time-step Finite Element Method (FEM. Then, the loss distribution is assigned as the heat source for the thermal calculation. Secondly, the mathematical model for thermal calculation is also established. The assumptions and the boundary conditions are proposed to simplify the calculation and to improve convergence. Thirdly, the three-dimensional electromagnetic and thermal calculations of the machine, of which the armature winding and axial field winding are developed by using copper wires, are solved, from which the temperature distributions of the machine components are obtained. The experiments are carried out on the prototype with copper wires to validate the accuracy of the established models. Then, the temperature distributions of machine components under different Axial Magnetic Motive Force (AMMF are investigated. Since the machine is finally developing by using HTS wires, the temperature distributions of machine developed by utilizing High Temperature Superconducting (HTS wires, are also studied. The temperature distribution differences of the machine developed by using copper wires and HTS wires are drawn. All of these above will provide a helpful reference for the thermal calculation of the ARFTPMSM, as well as the design of the HTS coils and the cryogenic cooling system.

FEAST: a two-dimensional non-linear finite element code for calculating stresses

International Nuclear Information System (INIS)

Tayal, M.

1986-06-01

The computer code FEAST calculates stresses, strains, and displacements. The code is two-dimensional. That is, either plane or axisymmetric calculations can be done. The code models elastic, plastic, creep, and thermal strains and stresses. Cracking can also be simulated. The finite element method is used to solve equations describing the following fundamental laws of mechanics: equilibrium; compatibility; constitutive relations; yield criterion; and flow rule. FEAST combines several unique features that permit large time-steps in even severely non-linear situations. The features include a special formulation for permitting many finite elements to simultaneously cross the boundary from elastic to plastic behaviour; accomodation of large drops in yield-strength due to changes in local temperature and a three-step predictor-corrector method for plastic analyses. These features reduce computing costs. Comparisons against twenty analytical solutions and against experimental measurements show that predictions of FEAST are generally accurate to ± 5%

The discrete cones method for two-dimensional neutron transport calculations

International Nuclear Information System (INIS)

Watanabe, Y.; Maynard, C.W.

1986-01-01

A novel method, the discrete cones method (DC/sub N/), is proposed as an alternative to the discrete ordinates method (S/sub N/) for solutions of the two-dimensional neutron transport equation. The new method utilizes a new concept, discrete cones, which are made by partitioning a unit spherical surface that the direction vector of particles covers. In this method particles in a cone are simultaneously traced instead of those in discrete directions so that an anomaly of the S/sub N/ method, the ray effects, can be eliminated. The DC/sub N/ method has been formulated for X-Y geometry and a program has been creaed by modifying the standard S/sub N/ program TWOTRAN-II. Our sample calculations demonstrate a strong mitigation of the ray effects without a computing cost penalty

A model of the dose rate calculation for a spent fuel storage structure by Monte Carlo method using the modulated code system SCALE 4.4a

International Nuclear Information System (INIS)

Pantazi, D.; Mateescu, S.; Stanciu, M.; Mete, M.

2001-01-01

The modulated code system SCALE is used to perform a standardized shielding analysis for any facility containing spent fuel: handling devices, transport cask, intermediate and final storage facility. The neutron and gamma sources as well as the dose rates can be obtained using either discrete-ordinates or Monte Carlo methods. The shielding analysis control modules (SAS1, SAS2H and SAS4) provide a general procedure for cross-section preparation, fuel depletion/decay calculation and general onedimensional or multi-dimensional shielding analysis. The module SAS4 used in the analysis presented in this paper, is a three-dimensional Monte Carlo shielding analysis module, which uses an automated biasing procedure specialized for a nuclear fuel transport or storage container. The Spent Fuel Interim Storage Facility in our country is projected to be a parallelepiped concrete monolithic module, consisting of an external reinforced concrete structure with vertical storage cylinders (pits) arranged in a rectangular array. A pit is filled with sealed cylindrical baskets of stainless steel arranged in a stack, and with each basket containing spent fuel bundles in vertical position. The pit is closed with a concrete plug. The cylindrical geometry model is used in the shielding evaluation for a spent fuel storage structure (pit), and only the active parts of the superposed bundles is considered. The dose rates have been calculated in both the axial and radial directions using SAS4.(author)

Types of two-dimensional = 4 superconformal field theories

Indian Academy of Sciences (India)

Types of two-dimensional = 4 superconformal field theories. Abbas Ali ... Various types of = 4 superconformal symmetries in two dimensions are considered. It is proposed that apart ... Pramana – Journal of Physics | News. © 2017 Indian ...

A new type of one-dimensional compound: Structure of Nb4(Te2)4Te4I

International Nuclear Information System (INIS)

Deng Shuiquan; Zhuang Honghui; Lu Canzhong; Huang Jinshun; Huang Jingling

1993-01-01

The new infinite-chain niobium telluride iodide has been prepared by reaction of the elements at 893 K. Nb 4 (Te 2 ) 4 Te 4 I represents a new one-dimensional structure type. The structure consists of [Nb 4 (Te 2 ) 4 Te 4 I] ∞ chains which are formed by the four-nuclear butterfly cluster units 'Nb 4 (Te 2 ) 4 Te 4 ' with the I atoms bridging between different cluster units. (orig.)

Summary report for ITER Task -- D4: Activation calculations for the stainless steel ITER design

International Nuclear Information System (INIS)

Attaya, H.

1995-02-01

Detailed activation analysis for ITER has been performed as a part of ITER Task D4. The calculations have been performed for the shielding blanket (SS/water) and for the breeding blanket (LiN) options. The activation code RACC-P, which has been modified under IFER Task-D-10 for pulsed operation, has been used in this analysis. The spatial distributions of the radioactive inventory, decay heat, biological hazard potential, and the contact dose were calculated for the two designs for different operation modes and targeted fluences. A one-dimensional toroidal geometrical model has been utilized to determine the neutron fluxes in the two designs. The results are normalized for an inboard and outboard neutron wall loadings of 0.91 and 1.2 MW/M 2 , respectively. The point-wise distributions of the decay gamma sources have been calculated everywhere in the reactor at several times after the shutdown of the two designs and are then used in the transport code ONEDANT to calculate the biological dose everywhere in the reactor. The point-wise distributions of all the responses have also been calculated. These calculations have been performed for neutron fluences of 3.0 MWa/M 2 , which corresponds to the target fluence of ITER, and 0.1 MWa/M 2 , which is anticipated to correspond to the beginning of an extended maintenance period

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)

Rotational study of the CH4–CO complex: Millimeter-wave measurements and ab initio calculations

International Nuclear Information System (INIS)

Surin, L. A.; Tarabukin, I. V.; Panfilov, V. A.; Schlemmer, S.; Kalugina, Y. N.; Faure, A.; Rist, C.; Avoird, A. van der

2015-01-01

The rotational spectrum of the van der Waals complex CH 4 –CO has been measured with the intracavity OROTRON jet spectrometer in the frequency range of 110–145 GHz. Newly observed and assigned transitions belong to the K = 2–1 subband correlating with the rotationless j CH4 = 0 ground state and the K = 2–1 and K = 0–1 subbands correlating with the j CH4 = 2 excited state of free methane. The (approximate) quantum number K is the projection of the total angular momentum J on the intermolecular axis. The new data were analyzed together with the known millimeter-wave and microwave transitions in order to determine the molecular parameters of the CH 4 –CO complex. Accompanying ab initio calculations of the intermolecular potential energy surface (PES) of CH 4 –CO have been carried out at the explicitly correlated coupled cluster level of theory with single, double, and perturbative triple excitations [CCSD(T)-F12a] and an augmented correlation-consistent triple zeta (aVTZ) basis set. The global minimum of the five-dimensional PES corresponds to an approximately T-shaped structure with the CH 4 face closest to the CO subunit and binding energy D e = 177.82 cm −1 . The bound rovibrational levels of the CH 4 –CO complex were calculated for total angular momentum J = 0–6 on this intermolecular potential surface and compared with the experimental results. The calculated dissociation energies D 0 are 91.32, 94.46, and 104.21 cm −1 for A (j CH4 = 0), F (j CH4 = 1), and E (j CH4 = 2) nuclear spin modifications of CH 4 –CO, respectively

Calculation of three-dimensional MHD equilibria with magnetic islands and chaotic field line trajectories

International Nuclear Information System (INIS)

Reiman, A.; Monticello, D.; Pomphrey, N.

1993-01-01

The three-dimensional MHD equilibrium equation is a mixed elliptic-hyperbolic partial differential equation. Unlike more familiar equations of this sort, the source term in the elliptic part of the equation is dependent on the time-asymptotic solution of the hyperbolic part, because the pressure and the force-free part of the current are constant along magnetic field lines. The equations for the field line trajectories can be put in the form of Hamilton's equations for a one-dimensional time-dependent system. The authors require an accurate solution for the KAM surfaces of this nonintegrable Hamiltonian. They describe a new algorithm they have developed for this purpose, and discuss its relationship to previously developed algorithms for computing KAM surfaces. They also discuss the numerical issues that arise in self-consistently coupling the output of this algorithm to the elliptic piece of the equation to calculate the magnetic field driven by the current. For nominally axisymmetric devices, they describe how the code is used to directly calculate the saturated state of nonaxisymmetric instabilities by following the equilibrium solution through a bifurcation. They argue that this should be the method of choice for evaluating stability to tearing modes in toroidal magnetic confinement devices

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)

Consistent calculation of the stopping power for slow ions in two-dimensional electron gases

International Nuclear Information System (INIS)

Wang, You-Nian; Ma, Teng-Gai

1997-01-01

Within the framework of quantum scattering theory, we present a consistent calculation of the stopping power for slow protons and antiprotons moving in two-dimensional electron gases. The Friedel sum rule is used to determine the screening constant in the scattering potential. For the stopping power our results are compared with that of the random-phase approximation dielectric theory and that predicted by the linear Thomas-Fermi potential. copyright 1997 The American Physical Society

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)

Three-dimensional electron-beam dose calculations

International Nuclear Information System (INIS)

Shiu, A.S.

1988-01-01

The MDAH pencil-beam algorithm developed by Hogstrom et al (1981) has been widely used in clinics for electron-beam dose calculations for radiotherapy treatment planning. The primary objective of this research was to address several deficiencies of that algorithm and to develop an enhanced version. Two enhancements were incorporated into the pencil-beam algorithm; one models fluence rather than planar fluence, and the other models the bremsstrahlung dose using measured beam data. Comparisons of the resulting calculated dose distributions with measured dose distributions for several test phantoms have been made. From these results it is concluded (1) that the fluence-based algorithm is more accurate to use for the dose calculation in an inhomogeneous slab phantom, and (2) the fluence-based calculation provides only a limited improvement to the accuracy the calculated dose in the region just downstream of the lateral edge of an inhomogeneity. A pencil-beam redefinition model was developed for the calculation of electron-beam dose distributions in three dimensions

Accelerating the discovery of hidden two-dimensional magnets using machine learning and first principle calculations

Science.gov (United States)

Miyazato, Itsuki; Tanaka, Yuzuru; Takahashi, Keisuke

2018-02-01

Two-dimensional (2D) magnets are explored in terms of data science and first principle calculations. Machine learning determines four descriptors for predicting the magnetic moments of 2D materials within reported 216 2D materials data. With the trained machine, 254 2D materials are predicted to have high magnetic moments. First principle calculations are performed to evaluate the predicted 254 2D materials where eight undiscovered stable 2D materials with high magnetic moments are revealed. The approach taken in this work indicates that undiscovered materials can be surfaced by utilizing data science and materials data, leading to an innovative way of discovering hidden materials.

Quantum electrodynamics within the framework of a new 4-dimensional symmetry

International Nuclear Information System (INIS)

Hsu, J.P.

1977-06-01

Quantum electrodynamics is discussed within the framework of a new 4-dimensional symmetry in which the concept of time, the propagation of light and the transformation property of many physical quantities are drastically different from those in special relativity. However, they are consistent with experiments. The new framework allows for natural developments of additional concepts. A possible and crucial experimental test of the new 4-dimensional symmetry is discussed

Evaluation on activation activity of reactor in JRR-2 applied 3 dimensional model to neutron flux calculation

International Nuclear Information System (INIS)

Kishimoto, Katsumi; Arigane, Kenji

2005-03-01

Revaluation to activation activity of reactor evaluated at the notification of dismantling submitted in 1997 was carried out in JRR-2 where decommissioning was advanced now. In the revaluation, estimation accuracy on neutron streaming at various horizontal experimental tubes was improved by applying 3 dimensional model to neutron transport calculation that had been carried out by 2 dimensional model, and calculating with TORT. As the result, excessive overestimations on horizontal experimental tubes and biological shield that had greatly contributed to total activation activity in evaluation at the notification of dismantling was revised, sum of their activation activities in the revaluation decreased to 1/18 (case after 1 year from the permanent shutdown of reactor) of evaluation at the notification of dismantling, and the structural materials that had large activation activity were changed. By the above, it was shown that introducing 3 dimensional model was effective in evaluation on activation activity of the research reactor that had a lot of various experimental tubes. Total activation activity of reactor by the revaluation depended on control rods, thermal shield plates and horizontal experimental tubes, and the value after 1 year from the permanent shutdown of reactor was 1.9x10 14 Bq. (author)

Burnup dependent core neutronic calculations for research and training reactors via SCALE4.4

International Nuclear Information System (INIS)

Tombakoglu, M.; Cecen, Y.

2001-01-01

In this work, the full core modelling is performed to improve neutronic analyses capability for nuclear research reactors using SCALE4.4 code system. KENOV.a module of SCALE4.4 code system is utilized for full core neutronic analysis. The ORIGEN-S module is coupled with the KENOV.a module to perform burnup dependent neutronic analyses. Results of neutronic calculations for 1 st cycle of Cekmece TR-2 research reactor are presented. In particular, coupling of KENOV.a and ORIGEN-S modules of SCALE4.4 is discussed. The preliminary results of 2-D burnup dependent neutronic calculations are also given. These results are extended to burnup dependent core calculations of TRIGA Mark-II research reactors. The code system developed here is similar to the code system that couples MCNP and ORIGEN2.(author)

15 CFR 325.4 - Calculating time periods.

Science.gov (United States)

2010-01-01

... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Calculating time periods. 325.4 Section 325.4 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign Trade (Continued) INTERNATIONAL TRADE ADMINISTRATION, DEPARTMENT OF COMMERCE MISCELLANEOUS REGULATIONS EXPORT TRADE CERTIFICATES...

Two-dimensional orbital ordering in d{sup 1} Mott insulator Sr{sub 2}VO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Viennois, R; Giannini, E; Teyssier, J; Elia, J; Van der Marel, D [DPMC, Universite de Geneve, 24 quai Ernest Ansermet, CH-1211 Geneve (Switzerland); Deisenhofer, J, E-mail: Romain.Viennois@unige.c [Institute of Physics, University of Augsburg, Augsburg (Germany)

2010-01-15

The Mott insulator Sr{sub 2}VO{sub 4} is a unique d{sup 1} two-dimensional compound exhibiting an orbital ordering transition. In addition to the orbital ordering transition at about 100 K, we discovered a ferromagnetic transition below 10 K, thus confirming the predictions of recent band structure calculations. The magnetic properties proved to be strongly sensitive to the material purity, the actual oxygen stoichiometry and the crystallographic parameters. An additional transition is observed at 125 K, which is believed to be due to structural modifications.

Recent Progress in GW-based Methods for Excited-State Calculations of Reduced Dimensional Systems

Science.gov (United States)

da Jornada, Felipe H.

2015-03-01

Ab initio calculations of excited-state phenomena within the GW and GW-Bethe-Salpeter equation (GW-BSE) approaches allow one to accurately study the electronic and optical properties of various materials, including systems with reduced dimensionality. However, several challenges arise when dealing with complicated nanostructures where the electronic screening is strongly spatially and directionally dependent. In this talk, we discuss some recent developments to address these issues. First, we turn to the slow convergence of quasiparticle energies and exciton binding energies with respect to k-point sampling. This is very effectively dealt with using a new hybrid sampling scheme, which results in savings of several orders of magnitude in computation time. A new ab initio method is also developed to incorporate substrate screening into GW and GW-BSE calculations. These two methods have been applied to mono- and few-layer MoSe2, and yielded strong environmental dependent behaviors in good agreement with experiment. Other issues that arise in confined systems and materials with reduced dimensionality, such as the effect of the Tamm-Dancoff approximation to GW-BSE, and the calculation of non-radiative exciton lifetime, are also addressed. These developments have been efficiently implemented and successfully applied to real systems in an ab initio framework using the BerkeleyGW package. I would like to acknowledge collaborations with Diana Y. Qiu, Steven G. Louie, Meiyue Shao, Chao Yang, and the experimental groups of M. Crommie and F. Wang. This work was supported by Department of Energy under Contract No. DE-AC02-05CH11231 and by National Science Foundation under Grant No. DMR10-1006184.

Calculation of band alignments and quantum confinement effects in zero- and one-dimensional pseudomorphic structures

International Nuclear Information System (INIS)

Yang, M.; Sturm, J.C.; Prevost, J.

1997-01-01

The strain field distributions and band lineups of zero-dimensional and one-dimensional strained pseudomorphic semiconductor particles inside a three-dimensional matrix of another semiconductor have been studied. The resulting strain in the particle and the matrix leads to band alignments considerably different from that in the conventional two-dimensional (2D) pseudomorphic growth case. The models are first applied to an ideal spherical and cylindrical Si 1-x Ge x particle in a large Si matrix. In contrast to the 2D case, the band alignments for both structures are predicted to be strongly type II, where the conduction-band edge and the valence-band edge of the Si matrix are both significantly lower than those in the Si 1-x Ge x inclusion, respectively. Band lineups and the lowest electron endash heavy-hole transition energies of a pseudomorphic V-groove Si 1-x Ge x quantum wire inside a large Si matrix have been calculated numerically for different size structures. The photoluminescence energies of a large Si 1-x Ge x V-groove structure on Si will be lower than those of conventional 2D strained Si 1-x Ge x for similar Ge contents. copyright 1997 The American Physical Society

Efficient computer program EPAS-J1 for calculating stress intensity factors of three-dimensional surface cracks

International Nuclear Information System (INIS)

Miyazaki, Noriyuki; Watanabe, Takayuki; Yagawa, Genki.

1982-03-01

A finite element computer program EPAS-J1 was developed to calculate the stress intensity factors of three-dimensional cracks. In the program, the stress intensity factor is determined by the virtual crack extension method together with the distorted elements allocated along the crack front. This program also includes the connection elements based on the Lagrange multiplier concept to connect such different kinds of elements as the solid and shell elements, or the shell and beam elements. For the structure including three-dimensional surface cracks, the solid elements are employed only at the neighborhood of a surface crack, while the remainder of the structure is modeled by the shell or beam elements due to the reason that the crack singularity is very local. Computer storage and computational time can be highly reduced with the application of the above modeling technique for the calculation of the stress intensity factors of the three-dimensional surface cracks, because the three-dimensional solid elements are required only around the crack front. Several numerical analyses were performed by the EPAS-J1 program. At first, the accuracies of the connection element and the virtual crack extension method were confirmed using the simple structures. Compared with other techniques of connecting different kinds of elements such as the tying method or the method using anisotropic plate element, the present connection element is found to provide better results than the others. It is also found that the virtual crack extension method provides the accurate stress intensity factor. Furthermore, the results are also presented for the stress intensity factor analyses of cylinders with longitudinal or circumferential surface cracks using the combination of the various kinds of elements together with the connection elements. (author)

Electro-magnetic cascade calculation using EGS4 code

International Nuclear Information System (INIS)

Namito, Yoshihito; Hirayama, Hideo

2001-01-01

The outline of the general-purpose electron-photon transport code EGS4 (Electron-Gamma-Shower Version 4) is described. In section 1, the history of the electron photon Monte Carlo transport code toward EGS4 is described. In section 2, the features of the EGS4 and the physical processes treated, cross section preparation and language is explained. The upper energy limit of EGS4 is a few thousand GeV. The lower energy limit of EGS4 is 1 keV and 10 keV for photon and electron, respectively. In section 3, particle transport method in EGS4 code is discussed. The points are; condensed history method, continuous slowing down approximation and multiple scattering approximation. Order of the particle transport calculation is also mentioned. The switches to control scoring routine AUSGAB is listed. In section 4, the output from the code is described. In section 5, several benchmark calculations are described. (author)

Prenatal 3- and 4-dimensional Ultrasonographic Findings of Giant Fetal Nuchal Hemangioma

Directory of Open Access Journals (Sweden)

Jenn-Jhy Tseng

2007-10-01

Full Text Available A precise prenatal diagnosis of hemangioma may be uncertain although a variety of the antenatal appearances on 2-dimensional sonography have been reported. A 27-year-old primigravida was referred at 32 weeks of gestation for evaluation of a fetal nuchal mass. Two-dimensional sonography showed an extracranial mixed echogenic mass (65 × 54 × 59 mm occupying the posterior neck. Color Doppler imaging revealed intense hypervascularization. Three-dimensional (3D and 4-dimensional (4D sonography showed that the mass was lobulated, with a lumpy internal structure. Nuchal hemangioma was further confirmed by clinical examination and postnatal magnetic resonance imaging. The tumor began to regress in size when the infant was 7 months old. Prenatal 3D/4D ultrasound techniques could be considered as complementary diagnostic tools for such a tumor. They have the advantages of providing accurate and inexpensive virtual reality images through more realistic interactions with the virtualized in utero condition.

Calculation of large Reynolds number two-dimensional flow using discrete vortices with random walk

International Nuclear Information System (INIS)

Milinazzo, F.; Saffman, P.G.

1977-01-01

The numerical calculation of two-dimensional rotational flow at large Reynolds number is considered. The method of replacing a continuous distribution of vorticity by a finite number, N, of discrete vortices is examined, where the vortices move under their mutually induced velocities plus a random component to simulate effects of viscosity. The accuracy of the method is studied by comparison with the exact solution for the decay of a circular vortex. It is found, and analytical arguments are produced in support, that the quantitative error is significant unless N is large compared with a characteristic Reynolds number. The mutually induced velocities are calculated by both direct summation and by the ''cloud in cell'' technique. The latter method is found to produce comparable error and to be much faster

Three-dimensional calculations for a 4 kA, 3.5 MV, 2 microsecond injector with asymmetric power feed

Directory of Open Access Journals (Sweden)

Thomas P. Hughes

1999-11-01

Full Text Available The DARHT-2 accelerator under construction at Los Alamos National Laboratory requires a long flattop (2μs 2–4 kA, 3.5 MV, low-emittance electron beam source. The injector is being constructed at Lawrence Berkeley National Laboratory and consists of a large-area thermionic cathode mounted atop a vertical column. The 90° bend between the horizontally emitted beam and the column produces dipole and higher-pole fields which must be corrected. In addition, the fast rise of the current flowing into the vacuum tank excites rf modes which cause transverse oscillations of the beam centroid. We have modeled these effects with the 3D electromagnetic code LSP. The code has models for pulsed power transmission lines, space-charge-limited emission and transport of charged particles, externally applied magnetic fields, and frequency-dependent absorption of rf. We calculate the transverse displacement of the beam as a function of time during the current pulse, and the positioning and thickness of ferrite absorber needed to damp the rf modes. The numerical results are compared to analytic calculations.

Bulk and brane decay of a (4+n)-dimensional Schwarzschild-de Sitter black hole: Scalar radiation

International Nuclear Information System (INIS)

Kanti, P.; Grain, J.; Barrau, A.

2005-01-01

In this paper, we extend the idea that the spectrum of Hawking radiation can reveal valuable information on a number of parameters that characterize a particular black hole background--such as the dimensionality of spacetime and the value of coupling constants--to gain information on another important aspect: the curvature of spacetime. We investigate the emission of Hawking radiation from a D-dimensional Schwarzschild-de Sitter black hole emitted in the form of scalar fields, and employ both analytical and numerical techniques to calculate greybody factors and differential energy emission rates on the brane and in the bulk. The energy emission rate of the black hole is significantly enhanced in the high-energy regime with the number of spacelike dimensions. On the other hand, in the low-energy part of the spectrum, it is the cosmological constant that leaves a clear footprint, through a characteristic, constant emission rate of ultrasoft quanta determined by the values of black hole and cosmological horizons. Our results are applicable to 'small' black holes arising in theories with an arbitrary number and size of extra dimensions, as well as to pure 4-dimensional primordial black holes, embedded in a de Sitter spacetime

Instantons, three-dimensional gauge theory, and the Atiyah-Hitchin manifold

NARCIS (Netherlands)

Dorey, N.; Khoze, V.V.; Mattis, M.P.; Tong, D.; Vandoren, S.

1997-01-01

We investigate quantum effects on the Coulomb branch of three-dimensional N = 4 supersymmetric gauge theory with gauge group SU(2). We calculate perturbative and one-instanton contributions to the Wilsonian effective action using standard weakcoupling methods. Unlike the four-dimensional case,

Post-test thermal calculations and data analyses for the Spent Fuel Test, Climax

International Nuclear Information System (INIS)

Montan, D.N.; Patrick, W.C.

1986-06-01

After the Spent Fuel Test - Climax (SFT-C) was completed, additional calculations were performed using the best available (directly measured or inferred from measurements made during the test) input parameters, thermal properties, and power levels. This report documents those calculations and compares the results with measurements made during the three-year heating phase and six-month posttest cooling phase of the SFT-C. Three basic types of heat-transfer calculations include a combined two-dimensional/three-dimensional, infinite-length, finite-difference model; a fully three-dimensional, finite-length, finite-difference model; and a fully three-dimensional, finite-length, analytical solution. The finite-length model much more accurately reflects heat flow near the ends of the array and produces cooler temperatures everywhere than does its infinite-length counterpart. 14 refs., 144 figs., 4 tabs

Perturbation calculations with Wilson loop

International Nuclear Information System (INIS)

Peixoto Junior, L.B.

1984-01-01

We present perturbative calculations with the Wilson loop (WL). The dimensional regularization method is used with a special attention concerning to the problem of divergences in the WL expansion in second and fourth orders, in three and four dimensions. We show that the residue in the pole, in 4d, of the fourth order graphs contribution sum is important for the charge renormalization. We compute up to second order the exact expression of the WL, in three-dimensional gauge theories with topological mass as well as its assimptotic behaviour for small and large distances. the author [pt

SALT4: a two-dimensional displacement discontinuity code for thermomechanical analysis in bedded salt deposits

International Nuclear Information System (INIS)

1983-04-01

SALT4 is a two-dimensional analytical/displacement-discontinuity code designed to evaluate temperatures, deformation, and stresses associated with underground disposal of radioactive waste in bedded salt. This code was developed by the University of Minnesota. This documentation describes the mathematical equations of the physical system being modeled, the numerical techniques utilized, and the organization of the computer code, SALT4. The SALT4 code takes into account: (1) viscoelastic behavior in the pillars adjacent to excavations; (2) transversely isotropic elastic moduli such as those exhibited by bedded or stratified rock; and (2) excavation sequence. Major advantages of the SALT4 code are: (1) computational efficiency; (2) the small amount of input data required; and (3) a creep law consistent with laboratory experimental data for salt. The main disadvantage is that some of the assumptions in the formulation of SALT4, i.e., temperature-independent material properties, render it unsuitable for canister-scale analysis or analysis of lateral deformation of the pillars. The SALT4 code can be used for parameter sensitivity analyses of two-dimensional, repository-scale, thermal and thermomechanical response in bedded salt during the excavation, operational, and post-closure phases. It is especially useful in evaluating alternative patterns and sequences of excavation or waste canister placement. SALT4 can also be used to verify fully numerical codes. This is similar to the use of analytic solutions for code verification. Although SALT4 was designed for analysis of bedded salt, it is also applicable to crystalline rock if the creep calculation is suppressed. In Section 1.5 of this document the code custodianship and control is described along with the status of verification, validation and peer review of this report

Development of a (4-ε)-dimensional theory for the density of states of a disordered system near the Anderson transition

International Nuclear Information System (INIS)

Suslov, Igor' M

1998-01-01

The calculation of the density of states for the Schroedinger equation with a Gaussian random potential is equivalent to the problem of a second-order transition with a 'wrong' sign for the coefficient of the quartic term in the Ginzburg-Landau Hamiltonian. The special role of the dimension d = 4 for such a Hamiltonian can be seen from different viewpoints but is fundamentally determined by the renormalizability of the theory. The construction of an ε expansion in direct analogy with the phase-transition theory gives rise to the problem of a 'spurious' pole. To solve this problem, a proper treatment of the factorial divergency of the perturbation series is necessary. Simplifications arising in high dimensions can be used for the development of a (4-ε)-dimensional theory, but this requires successive consideration of four types of theories: a nonrenormalizable theories for d > 4, nonrenormalizable and renormalizable theories in the logarithmic situation (d = 4), and a super-renormalizable theories for d < 4. An approximation is found for each type of theory giving asymptotically exact results. In the (4-ε)-dimensional theory, the terms of leading order in 1/ε are only retained for N∼1 (N is the order of the perturbation theory) while all degrees of 1/ε are essential for large N in view of the fast growth of their coefficients. The latter are calculated in the leading order in N from the Callan-Symanzik equation with the results of Lipatov method used as boundary conditions. The qualitative effect is the same in all four cases and consists in a shifting of the phase transition point in the complex plane. This results in the elimination of the 'spurious' pole and in regularity of the density of states for all energies. A discussion is given of the calculation of high orders of perturbation theory and a perspective of the ε expansion for the problem of conductivity near the Anderson transition. (reviews of topical problems)

Study of the IMRT interplay effect using a 4DCT Monte Carlo dose calculation.

Science.gov (United States)

Jensen, Michael D; Abdellatif, Ady; Chen, Jeff; Wong, Eugene

2012-04-21

Respiratory motion may lead to dose errors when treating thoracic and abdominal tumours with radiotherapy. The interplay between complex multileaf collimator patterns and patient respiratory motion could result in unintuitive dose changes. We have developed a treatment reconstruction simulation computer code that accounts for interplay effects by combining multileaf collimator controller log files, respiratory trace log files, 4DCT images and a Monte Carlo dose calculator. Two three-dimensional (3D) IMRT step-and-shoot plans, a concave target and integrated boost were delivered to a 1D rigid motion phantom. Three sets of experiments were performed with 100%, 50% and 25% duty cycle gating. The log files were collected, and five simulation types were performed on each data set: continuous isocentre shift, discrete isocentre shift, 4DCT, 4DCT delivery average and 4DCT plan average. Analysis was performed using 3D gamma analysis with passing criteria of 2%, 2 mm. The simulation framework was able to demonstrate that a single fraction of the integrated boost plan was more sensitive to interplay effects than the concave target. Gating was shown to reduce the interplay effects. We have developed a 4DCT Monte Carlo simulation method that accounts for IMRT interplay effects with respiratory motion by utilizing delivery log files.

Calculation of fluences of fast neutrons hitting the pressure vessel of the Dukovany NPP WWER-440 reactor. Part I. Theory, calculations, comparison with the experiment

International Nuclear Information System (INIS)

Rataj, J.

1993-10-01

The method of calculating neutron spectra and integral flux densities of neutrons hitting the pressure vessel of the Dukovany NPP WWER-440 reactor is outlined. The one-dimensional and two-dimensional calculations were performed by means of the DORT code in R, R-Z, and R-Θ geometries using the cross sections from the ELXSIR library. In the R-Θ geometry, the coupled neutron flux densities were determined. The calculated values of the maximum activation of detectors differ less than 15% from the values measured in surveillance specimens, which is within the limit of uncertainty associated with the position of the detector in the casing. The differences between the calculated and observed data behind the pressure vessel were below 4%. 10 tabs., 3 figs., 41 refs

A new three-dimensional cobalt phosphate: Co 5(OH 2) 4(HPO 4) 2(PO 4) 2

Science.gov (United States)

Han, Zhangang; Tian, Aixiang; Peng, Jun; Zhai, Xueliang

2006-10-01

A three-dimensional (3D) cobalt phosphate: Co 5(OH 2) 4(HPO 4) 2(PO 4) 2 ( 1), has been synthesized by hydrothermal reaction and characterized by single-crystal X-ray diffraction, thermogravimetric analysis, and magnetic techniques. The title compound is a template free cobalt phosphate. Compound 1 exhibits a complex net architecture based on edge- and corner-sharing of CoO 6 and PO 4 polyhedra. The magnetic susceptibility measurements indicated that the title compound obeys Curie-Weiss behavior down to a temperature of 17 K at which an antiferromagnetic phase transition occurs.

Pure Cs4PbBr6: Highly Luminescent Zero-Dimensional Perovskite Solids

KAUST Repository

Saidaminov, Makhsud I.

2016-09-26

So-called zero-dimensional perovskites, such as Cs4PbBr6, promise outstanding emissive properties. However, Cs4PbBr6 is mostly prepared by melting of precursors that usually leads to a coformation of undesired phases. Here, we report a simple low-temperature solution-processed synthesis of pure Cs4PbBr6 with remarkable emission properties. We found that pure Cs4PbBr6 in solid form exhibits a 45% photoluminescence quantum yield (PLQY), in contrast to its three-dimensional counterpart, CsPbBr3, which exhibits more than 2 orders of magnitude lower PLQY. Such a PLQY of Cs4PbBr6 is significantly higher than that of other solid forms of lower-dimensional metal halide perovskite derivatives and perovskite nanocrystals. We attribute this dramatic increase in PL to the high exciton binding energy, which we estimate to be ∼353 meV, likely induced by the unique Bergerhoff–Schmitz–Dumont-type crystal structure of Cs4PbBr6, in which metal-halide-comprised octahedra are spatially confined. Our findings bring this class of perovskite derivatives to the forefront of color-converting and light-emitting applications.

A virtual crack-closure technique for calculating stress intensity factors for cracked three dimensional bodies

Science.gov (United States)

Shivakumar, K. N.; Tan, P. W.; Newman, J. C., Jr.

1988-01-01

A three-dimensional virtual crack-closure technique is presented which calculates the strain energy release rates and the stress intensity factors using only nodal forces and displacements from a standard finite element analysis. The technique is an extension of the Rybicki-Kanninen (1977) method, and it assumes that any continuous function can be approximated by a finite number of straight line segments. Results obtained by the method for surface cracked plates with and without notches agree favorably with previous results.

Four-dimensional optical multiband-OFDM for beyond 1.4 Tb/s serial optical transmission.

Science.gov (United States)

Djordjevic, Ivan; Batshon, Hussam G; Xu, Lei; Wang, Ting

2011-01-17

We propose a four-dimensional (4D) coded multiband-OFDM scheme suitable for beyond 1.4 Tb/s serial optical transport. The proposed scheme organizes the N-dimensional (ND) signal constellation points in the form of signal matrix; employs 2D-inverse FFT and 2D-FFT to perform modulation and demodulation, respectively; and exploits both orthogonal polarizations. This scheme can fully exploit advantages of OFDM to deal with chromatic dispersion, PMD and PDL effects; and multidimensional signal constellations to improve OSNR sensitivity of conventional optical OFDM. The improvement of 4D-OFDM over corresponding polarization-multiplexed QAM (with the same number of constellation points) ranges from 1.79 dB for 16 signal constellation point-four-dimensional-OFDM (16-4D-OFDM) up to 4.53 dB for 128-4D-OFDM.

Topological states in a two-dimensional metal alloy in Si surface: BiAg/Si(111)-4 ×4 surface

Science.gov (United States)

Zhang, Xiaoming; Cui, Bin; Zhao, Mingwen; Liu, Feng

2018-02-01

A bridging topological state with a conventional semiconductor platform offers an attractive route towards future spintronics and quantum device applications. Here, based on first-principles and tight-binding calculations, we demonstrate the existence of topological states hosted by a two-dimensional (2D) metal alloy in a Si surface, the BiAg/Si(111)-4 ×4 surface, which has already been synthesized experimentally. It exhibits a topological insulating state with an energy gap of 71 meV (˜819 K ) above the Fermi level and a topological metallic state with quasiquantized conductance below the Fermi level. The underlying mechanism leading to the formation of such nontrivial states is revealed by analysis of the "charge-transfer" and "orbital-filtering" effect of the Si substrate. A minimal effective tight-binding model is employed to reveal the formation mechanism of the topological states. Our finding opens opportunities to detect topological states and measure its quantized conductance in a large family of 2D surface metal alloys, which have been or are to be grown on semiconductor substrates.

Raman Scattering from Higgs Mode Oscillations in the Two-Dimensional Antiferromagnet Ca_{2}RuO_{4}.

Science.gov (United States)

Souliou, Sofia-Michaela; Chaloupka, Jiří; Khaliullin, Giniyat; Ryu, Gihun; Jain, Anil; Kim, B J; Le Tacon, Matthieu; Keimer, Bernhard

2017-08-11

We present and analyze Raman spectra of the Mott insulator Ca_{2}RuO_{4}, whose quasi-two-dimensional antiferromagnetic order has been described as a condensate of low-lying spin-orbit excitons with angular momentum J_{eff}=1. In the A_{g} polarization geometry, the amplitude (Higgs) mode of the spin-orbit condensate is directly probed in the scalar channel, thus avoiding infrared-singular magnon contributions. In the B_{1g} geometry, we observe a single-magnon peak as well as two-magnon and two-Higgs excitations. Model calculations using exact diagonalization quantitatively agree with the observations. Together with recent neutron scattering data, our study provides strong evidence for excitonic magnetism in Ca_{2}RuO_{4} and points out new perspectives for research on the Higgs mode in two dimensions.

Attenuation Correction Strategies for Positron Emission Tomography/Computed Tomography and 4-Dimensional Positron Emission Tomography/Computed Tomography

OpenAIRE

Pan, Tinsu; Zaidi, Habib

2013-01-01

This article discusses attenuation correction strategies in positron emission tomography/computed tomography (PET/CT) and 4 dimensional PET/CT imaging. Average CT scan derived from averaging the high temporal resolution CT images is effective in improving the registration of the CT and the PET images and quantification of the PET data. It underscores list mode data acquisition in 4 dimensional PET and introduces 4 dimensional CT popular in thoracic treatment planning to 4 dimensional PET/CT. ...

Identification, Calculation Of The Three Dimensional Orbit, And Flux Of Asteroid 2007 TD14

Science.gov (United States)

Pereira, Vincent; Martin, E.; Millan, J.

2012-01-01

In recent years the rate of discovery of asteroids has improved dramatically and has far outstripped efforts to physically characterize them. In this work, we took part in the International Astronomical Search Campaign and confirmed the discovery of asteroid 2007 TD14. We then calculated the two and three dimensional orbit of the asteroid around the sun, given its six elements of orbit. Once the heliocentric and geocentric distances are known, and the visual magnitude of the asteroid obtained through photometry, its diameter can be calculated assuming a suitable value for the albedo. The diameter was 0.718 km and the albedo was 0.039. Using the Standard Thermal Model we calculated the temperature distribution on the surface of the asteroid and the flux of the asteroid in the thermal infrared (1.095 mJy at 22 microns on March 19, 2010). To the best of our knowledge there have been no previous reports of the diameter and flux of the asteroid. Our ultimate goal is to compare our flux values with newly released data from NASA Wide-field Infrared Survey Explorer Mission and thus obtain better estimates of the asteroid diameter and albedo.

RHEIN, Modular System for Reactor Design Calculation

International Nuclear Information System (INIS)

Reiche, Christian; Barz, Hansulrich; Kunzmann, Bernd; Seifert, Eberhard; Wand, Hartmut

1990-01-01

1 - Description of program or function: RHEIN is a modular reactor code system for neutron physics calculations. It consists of a small number of system codes for execution control, data management, and handling support, as well as of the physical calculation routines. The execution is controlled by input data containing mathematical and physical parameters and simple commands for routine calls and data manipulations. The calculation routines are in tune with one another and the system takes care of the data transfer between them. Cross-section libraries with self shielding parameters are added to the system. 2 - Method of solution: The calculation routines can be used for solving the following physics problems: - Calculation of cross-section sets for infinite mediums, taking into account chord length. - Zero-dimensional spectrum calculation in diffusion, P1, or B1 approximation. - One-dimensional calculation in diffusion, P1, or collision probability approximation. - Two-dimensional diffusion calculation. - Cell calculation by THERMOS. - Zone-wise homogenized group collapsing within zero, one, or two-dimensional models. - Normalization, summarizing, etc. - Output of cross-section sets to off systems Sn and Monte-Carlo calculations

Cluster expression in fission and fusion in high-dimensional macroscopic-microscopic calculations

International Nuclear Information System (INIS)

Iwamoto, Akira; Ichikawa, Takatoshi; Moller, Peter; Sierk, Arnold J.

2004-01-01

We discuss the relation between the fission-fusion potential-energy surfaces of very heavy nuclei and the formation process of these nuclei in cold-fusion reactions. In the potential-energy surfaces, we find a pronounced valley structure, with one valley corresponding to the cold-fusion reaction, the other to fission. As the touching point is approached in the cold-fusion entrance channel, an instability towards dynamical deformation of the projectile occurs, which enhances the fusion cross section. These two 'cluster effects' enhance the production of superheavy nuclei in cold-fusion reactions, in addition to the effect of the low compound-system excitation energy in these reactions. Heavy-ion fusion reactions have been used extensively to synthesize heavy elements beyond actinide nuclei. In order to proceed further in this direction, we need to understand the formation process more precisely, not just the decay process. The dynamics of the formation process are considerably more complex than the dynamics necessary to interpret the spontaneous-fission decay of heavy elements. However, before implementing a full dynamical description it is useful to understand the basic properties of the potential-energy landscape encountered in the initial stages of the collision. The collision process and entrance-channel landscape can conveniently be separated into two parts, namely the early-stage separated system before touching and the late-stage composite system after touching. The transition between these two stages is particularly important, but not very well understood until now. To understand better the transition between the two stages we analyze here in detail the potential energy landscape or 'collision surface' of the system both outside and inside the touching configuration of the target and projectile. In Sec. 2, we discuss calculated five-dimensional potential-energy landscapes inside touching and identify major features. In Sec. 3, we present calculated

Bulk Decay of (4 + n)-Dimensional Simply Rotating Black Holes: Tensor-Type Gravitons

Energy Technology Data Exchange (ETDEWEB)

Pappas, Nikolaos, E-mail: npappas@cc.uoi.gr [Division of Theoretical Physics, Department of Physics, University of Ioannina, Ioannina GR-45110 (Greece)

2011-02-01

We study the emission in the bulk of tensor-type gravitons by a simply rotating (4 + n)-dimensional black hole. The decoupling of the radial and angular part of the graviton field equation makes it possible to solve them analytically (in the limit of low-energy emitted particles and low-angular momentum of the black hole) and find the corresponding absorption probability. We also move to solve these equations numerically. The comparison between analytic and numerical results shows a very good agreement in low and intermediate energy regimes. Finally, the energy and angular momentum emission rates were calculated in order to explore their dependence on the number of additional spacelike dimensions of the spacetime background and the angular momentum of the black hole. Interesting conclusions about the significance of tensor-type gravitons as energy carriers in the context of Hawking radiation were reached.

Bulk Decay of (4 + n)-Dimensional Simply Rotating Black Holes: Tensor-Type Gravitons

International Nuclear Information System (INIS)

Pappas, Nikolaos

2011-01-01

We study the emission in the bulk of tensor-type gravitons by a simply rotating (4 + n)-dimensional black hole. The decoupling of the radial and angular part of the graviton field equation makes it possible to solve them analytically (in the limit of low-energy emitted particles and low-angular momentum of the black hole) and find the corresponding absorption probability. We also move to solve these equations numerically. The comparison between analytic and numerical results shows a very good agreement in low and intermediate energy regimes. Finally, the energy and angular momentum emission rates were calculated in order to explore their dependence on the number of additional spacelike dimensions of the spacetime background and the angular momentum of the black hole. Interesting conclusions about the significance of tensor-type gravitons as energy carriers in the context of Hawking radiation were reached.

The three dimensional dual of 4D chirality

International Nuclear Information System (INIS)

Porrati, M.; Girardello, L.

2009-01-01

Chiral gauge theories can be defined in four-dimensional Anti de Sitter space, but AdS boundary conditions explicitly break the chiral symmetry in a specific, well defined manner, which in turns results in an anomalous Ward identity. When the 4D theory admits a dual description in terms of a 3D CFT, the 3D dual of the broken chiral symmetry is a certain double-trace deformation of the CFT, which produces the same anomalous chiral Ward identities that obtains in the 4D bulk theory.

ERATO - a computer program for the calculation of induced eddy-currents in three-dimensional conductive structures

International Nuclear Information System (INIS)

Benner, J.

1985-10-01

The computer code ERATO is used for the calculation of eddy-currents in three-dimensional conductive structures and their secondary magnetic field. ERATO is a revised version of the code FEDIFF, developed at IPP Garching. For the calculation the Finite-Element-Network (FEN) method is used, where the structure is simulated by an equivalent electric network. In the ERATO-code, the calculation of the finite-element discretization, the eddy-current analysis, and the final evaluation of the results are done in separate programs. So the eddy-current analysis as the central step is perfectly independent of a special geometry. For the finite-element discretization there are two so called preprocessors, which treat a torus-segment and a rectangular, flat plate. For the final evaluation postprocessors are used, by which the current-distributions can be printed and plotted. In the report, the theoretical foundation of the FEN-Method is discussed, the structure and the application of the programs (preprocessors, analysis-program, postprocessors, supporting programs) are shown, and two examples for calculations are presented. (orig.) [de

A Lie based 4-dimensional higher Chern-Simons theory

Science.gov (United States)

Zucchini, Roberto

2016-05-01

We present and study a model of 4-dimensional higher Chern-Simons theory, special Chern-Simons (SCS) theory, instances of which have appeared in the string literature, whose symmetry is encoded in a skeletal semistrict Lie 2-algebra constructed from a compact Lie group with non discrete center. The field content of SCS theory consists of a Lie valued 2-connection coupled to a background closed 3-form. SCS theory enjoys a large gauge and gauge for gauge symmetry organized in an infinite dimensional strict Lie 2-group. The partition function of SCS theory is simply related to that of a topological gauge theory localizing on flat connections with degree 3 second characteristic class determined by the background 3-form. Finally, SCS theory is related to a 3-dimensional special gauge theory whose 2-connection space has a natural symplectic structure with respect to which the 1-gauge transformation action is Hamiltonian, the 2-curvature map acting as moment map.

Optimizing 4-Dimensional Magnetic Resonance Imaging Data Sampling for Respiratory Motion Analysis of Pancreatic Tumors

Energy Technology Data Exchange (ETDEWEB)

Stemkens, Bjorn, E-mail: b.stemkens@umcutrecht.nl [Department of Radiotherapy, University Medical Center Utrecht, Utrecht (Netherlands); Tijssen, Rob H.N. [Department of Radiotherapy, University Medical Center Utrecht, Utrecht (Netherlands); Senneville, Baudouin D. de [Imaging Division, University Medical Center Utrecht, Utrecht (Netherlands); L' Institut de Mathématiques de Bordeaux, Unité Mixte de Recherche 5251, Centre National de la Recherche Scientifique/University of Bordeaux, Bordeaux (France); Heerkens, Hanne D.; Vulpen, Marco van; Lagendijk, Jan J.W.; Berg, Cornelis A.T. van den [Department of Radiotherapy, University Medical Center Utrecht, Utrecht (Netherlands)

2015-03-01

Purpose: To determine the optimum sampling strategy for retrospective reconstruction of 4-dimensional (4D) MR data for nonrigid motion characterization of tumor and organs at risk for radiation therapy purposes. Methods and Materials: For optimization, we compared 2 surrogate signals (external respiratory bellows and internal MRI navigators) and 2 MR sampling strategies (Cartesian and radial) in terms of image quality and robustness. Using the optimized protocol, 6 pancreatic cancer patients were scanned to calculate the 4D motion. Region of interest analysis was performed to characterize the respiratory-induced motion of the tumor and organs at risk simultaneously. Results: The MRI navigator was found to be a more reliable surrogate for pancreatic motion than the respiratory bellows signal. Radial sampling is most benign for undersampling artifacts and intraview motion. Motion characterization revealed interorgan and interpatient variation, as well as heterogeneity within the tumor. Conclusions: A robust 4D-MRI method, based on clinically available protocols, is presented and successfully applied to characterize the abdominal motion in a small number of pancreatic cancer patients.

Iterative Two- and One-Dimensional Methods for Three-Dimensional Neutron Diffusion Calculations

International Nuclear Information System (INIS)

Lee, Hyun Chul; Lee, Deokjung; Downar, Thomas J.

2005-01-01

Two methods are proposed for solving the three-dimensional neutron diffusion equation by iterating between solutions of the two-dimensional (2-D) radial and one-dimensional (1-D) axial solutions. In the first method, the 2-D/1-D equations are coupled using a current correction factor (CCF) with the average fluxes of the lower and upper planes and the axial net currents at the plane interfaces. In the second method, an analytic expression for the axial net currents at the interface of the planes is used for planar coupling. A comparison of the new methods is made with two previously proposed methods, which use interface net currents and partial currents for planar coupling. A Fourier convergence analysis of the four methods was performed, and results indicate that the two new methods have at least three advantages over the previous methods. First, the new methods are unconditionally stable, whereas the net current method diverges for small axial mesh size. Second, the new methods provide better convergence performance than the other methods in the range of practical mesh sizes. Third, the spectral radii of the new methods asymptotically approach zero as the mesh size increases, while the spectral radius of the partial current method approaches a nonzero value as the mesh size increases. Of the two new methods proposed here, the analytic method provides a smaller spectral radius than the CCF method, but the CCF method has several advantages over the analytic method in practical applications

Spontaneous symmetry breaking of (1+1)-dimensional φ4 theory in light-front field theory. II

International Nuclear Information System (INIS)

Pinsky, S.S.; van de Sande, B.

1994-01-01

We discuss spontaneous symmetry breaking of (1+1)-dimensional φ 4 theory in light-front field theory using a Tamm-Dancoff truncation. We show that, even though light-front field theory has a simple vacuum state which is an eigenstate of the full Hamiltonian, the field can develop a nonzero vacuum expectation value. This occurs because the zero mode of the field must satisfy an operator-valued constraint equation. In the context of (1+1)-dimensional φ 4 theory we present solutions to the constraint equation using a Tamm-Dancoff truncation to a finite number of particles and modes. We study the behavior of the zero mode as a function of coupling and Fock space truncation. The zero mode introduces new interactions into the Hamiltonian which breaks the Z 2 symmetry of the theory when the coupling is stronger than the critical coupling. We investigate the energy spectrum in the symmetric and broken phases, show that the theory does not break down in the vicinity of the critical coupling, and discuss the connection to perturbation theory. Finally, we study the spectrum of the field φ and show that, in the broken phase, the field is localized away from φ=0 as one would expect from equal-time calculations. We explicitly show that tunneling occurs

HLW Canister and Can-In-Canister Drop Calculation

International Nuclear Information System (INIS)

H. Marr

1999-01-01

The purpose of this calculation is to evaluate the structural response of the standard high-level waste (HLW) canister and the HLW canister containing the cans of immobilized plutonium (''can-in-canister'' throughout this document) to the drop event during the handling operation. The objective of the calculation is to provide the structure parameter information to support the canister design and the waste handling facility design. Finite element solution is performed using the commercially available ANSYS Version (V) 5.4 finite element code. Two-dimensional (2-D) axisymmetric and three-dimensional (3-D) finite element representations for the standard HLW canister and the can-in-canister are developed and analyzed using the dynamic solver

Calculation of nonstationary two-dimensional temperature field in a tube wall in burnout

International Nuclear Information System (INIS)

Kashcheev, V.M.; Pykhtina, T.V.; Yur'ev, Yu.S.

1977-01-01

Numerically solved is a nonstationary two-dimensional equation of heat conduction for a tube wall of fuel element simulator with arbitrary energy release. The tube is heat-insulated from the outside. The vapour-liquid mixture flows inside the tube. The burnout is realized, when the heat transfer coefficient corresponds to the developed boiling in one part of the tube, and to the deteriorated regime in the other part of it. The thermal losses are regarded on both ends of the tube. Given are the statement of the problem, the algorithm of the solution, the results of the test adjusting problem. Obtained is the satisfactory agreement of calculated fixed temperature with experimental one

3D Monte-Carlo transport calculations of whole slab reactor cores: validation of deterministic neutronic calculation routes

International Nuclear Information System (INIS)

Palau, J.M.

2005-01-01

This paper presents how Monte-Carlo calculations (French TRIPOLI4 poly-kinetic code with an appropriate pre-processing and post-processing software called OVNI) are used in the case of 3-dimensional heterogeneous benchmarks (slab reactor cores) to reduce model biases and enable a thorough and detailed analysis of the performances of deterministic methods and their associated data libraries with respect to key neutron parameters (reactivity, local power). Outstanding examples of application of these tools are presented regarding the new numerical methods implemented in the French lattice code APOLLO2 (advanced self-shielding models, new IDT characteristics method implemented within the discrete-ordinates flux solver model) and the JEFF3.1 nuclear data library (checked against JEF2.2 previous file). In particular we have pointed out, by performing multigroup/point-wise TRIPOLI4 (assembly and core) calculations, the efficiency (in terms of accuracy and computation time) of the new IDT method developed in APOLLO2. In addition, by performing 3-dimensional TRIPOLI4 calculations of the whole slab core (few millions of elementary volumes), the high quality of the new JEFF3.1 nuclear data files and revised evaluations (U 235 , U 238 , Hf) for reactivity prediction of slab cores critical experiments has been stressed. As a feedback of the whole validation process, improvements in terms of nuclear data (mainly Hf capture cross-sections) and numerical methods (advanced quadrature formulas accounting validation results, validation of new self-shielding models, parallelization) are suggested to improve even more the APOLLO2-CRONOS2 standard calculation route. (author)

3D Monte-Carlo transport calculations of whole slab reactor cores: validation of deterministic neutronic calculation routes

Energy Technology Data Exchange (ETDEWEB)

Palau, J M [CEA Cadarache, Service de Physique des Reacteurs et du Cycle, Lab. de Projets Nucleaires, 13 - Saint-Paul-lez-Durance (France)

2005-07-01

This paper presents how Monte-Carlo calculations (French TRIPOLI4 poly-kinetic code with an appropriate pre-processing and post-processing software called OVNI) are used in the case of 3-dimensional heterogeneous benchmarks (slab reactor cores) to reduce model biases and enable a thorough and detailed analysis of the performances of deterministic methods and their associated data libraries with respect to key neutron parameters (reactivity, local power). Outstanding examples of application of these tools are presented regarding the new numerical methods implemented in the French lattice code APOLLO2 (advanced self-shielding models, new IDT characteristics method implemented within the discrete-ordinates flux solver model) and the JEFF3.1 nuclear data library (checked against JEF2.2 previous file). In particular we have pointed out, by performing multigroup/point-wise TRIPOLI4 (assembly and core) calculations, the efficiency (in terms of accuracy and computation time) of the new IDT method developed in APOLLO2. In addition, by performing 3-dimensional TRIPOLI4 calculations of the whole slab core (few millions of elementary volumes), the high quality of the new JEFF3.1 nuclear data files and revised evaluations (U{sup 235}, U{sup 238}, Hf) for reactivity prediction of slab cores critical experiments has been stressed. As a feedback of the whole validation process, improvements in terms of nuclear data (mainly Hf capture cross-sections) and numerical methods (advanced quadrature formulas accounting validation results, validation of new self-shielding models, parallelization) are suggested to improve even more the APOLLO2-CRONOS2 standard calculation route. (author)

12 CFR 997.4 - Calculation of the quarterly present-value determination.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 7 2010-01-01 2010-01-01 false Calculation of the quarterly present-value determination. 997.4 Section 997.4 Banks and Banking FEDERAL HOUSING FINANCE BOARD NON-BANK SYSTEM ENTITIES RESOLUTION FUNDING CORPORATION OBLIGATIONS OF THE BANKS § 997.4 Calculation of the quarterly present-value...

The one-loop Green's functions of dimensionally reduced gauge theories

International Nuclear Information System (INIS)

Ketov, S.V.; Prager, Y.S.

1988-01-01

The dimensional regularization technique as well as that by dimensional reduction is applied to the calculation of the regularized one-loop Green's functions in dsub(o)-dimensional Yang-Mills theory with real massless scalars and spinors in arbitrary (real) representations of a gauge group G. As a particular example, the super-symmetrically regularized one-loop Green's functions of the N=4 supersymmetric Yang-Mills model are derived. (author). 17 refs

Stochastic confinement and dimensional reduction. 1

International Nuclear Information System (INIS)

Ambjoern, J.; Olesen, P.; Peterson, C.

1984-03-01

By Monte Carlo calculations on a 16 4 lattice the authors investigate four dimensional SU(2) lattice guage theory with respect to the conjecture that at large distances this theory reduces approximately to two dimensional SU(2) lattice gauge theory. Good numerical evidence is found for this conjecture. As a by-product the SU(2) string tension is also measured and good agreement is found with scaling. The 'adjoint string tension' is also found to have a reasonable scaling behaviour. (Auth.)

Neutron scattering study on the spin dynamics of the two dimensional square lattice antiferromagnet, La2NiO4

International Nuclear Information System (INIS)

Nakajima, Kenji; Yamada, Kazuyoshi; Hosoya, Syoichi; Endoh, Yasuo; Omata, Tomoya; Arai, Masatoshi; Taylor, A.

1993-01-01

The spin dynamics of an S = 1, two dimensional (2D) square lattice antiferromagnet, La 2 NiO 4 was studied by neutron scattering experiments in wide energy (E N ), the spin wave excitations of La 2 NiO 4 are well described by a classical spin wave theory. The nearest-neighbor-exchange coupling constant, the in-plane and the out-of-plane anisotropy constants at 10 K were determined to be 28.7±0.7 meV, 0.10±0.02 meV and 1.26±0.12 meV, respectively. Above T N , the 2D spin fluctuation was observed over 600 K. The critical slowing down behavior of the fluctuation was observed in the enhancement of the low energy component toward T N . On the other hand, the high energy component is hardly affected by the three dimensional magnetic transition and still exists even at T N as observed in La 2 CuO 4 . The spin correlation length and the static structure factor at the 2D zone center were measured and compared with theoretical calculations for 2D Heisenberg antiferromagnets. (author)

A model to generate beam profiles of the Varian Clinac 4 for three-dimensional dose calculation: open fields

International Nuclear Information System (INIS)

Lam, K.S.; Lam, W.C.

1984-01-01

For the Clinac 4, open field profiles measured in the principal plane have higher intensity ''horns'' than those in off-axis planes. The maximum deviation occurs at 1-cm depth, where in the worst case of large field sizes and off-axis distances the deviation can be as high as 16% in the region near the horns. A model is proposed to generate open field beam profiles in off-axis planes, based on measured profiles in the transverse principal plane and in the largest field size diagonal plane of the machine. Within the central 90% portion of the field, the maximum deviation of the generated profiles from the measured ones at the same off-axis distance varies from about 3% at 1-cm depth to about 2% at 13-cm depth and then increases to less than 5% at 25-cm depth, even for very large field sizes and off-axis distances. Very little additional computer time and data storage are required for this procedure. Using these profiles, the Milan and Bentley method can be extended to three-dimensional treatment planning with good accuracy

26 CFR 1.409A-4 - Calculation of income inclusion. [Reserved

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 5 2010-04-01 2010-04-01 false Calculation of income inclusion. [Reserved] 1.409A-4 Section 1.409A-4 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY... Calculation of income inclusion. [Reserved] ...

Low dimensional equivalence of core neutronics model and its application to transient analysis

International Nuclear Information System (INIS)

Song Hongbing; Zhao Fuyu

2015-01-01

Three-dimensional coupled neutronics thermal-hydraulics reactor analysis is time consuming and occupies huge memory. A one-dimensional model is preferable than the three one in nuclear system analysis, control system design and load following. In this paper, a corewide three dimensional to one dimensional equivalent method has been developed. On the basis of this method 1D axial few groups constants were obtained. The equivalent cross sections were calculated by general spatial homogenization while the transverse buckling was computed through an equivalence based on the 3D flux conservation. Three steady test cases were performed on one dimensional finite difference code ODTAC and the results were compared with TRIVAC-5. The comparison shows that the one dimensional axial power distribution computed by ODTAC correlates well with the three dimensional results calculated by TRIVAC-5. In this study, DRAGON-4 was used to generate the few-group constants of fuel assemblies and the reflector few-group parameters were calculated by WIMS-D4. These collapsed few-group constants were tabulated in a database sorted in ascending order of fuel temperature, coolant temperature and concentration of boric acid. Trilinear interpolation was adopted in cross sections feedback during the transient analysis. In this paper, G1 rod drop accident (RDA) and G1 rod ejection accident (REA) were performed on ODTAC and the computation results were consistent of the physical rules. (author)

Two-dimensional radiation shielding optimization analysis of spent fuel transport container

International Nuclear Information System (INIS)

Tian Yingnan; Chen Yixue; Yang Shouhai

2013-01-01

The intelligent radiation shielding optimization design software platform is a one-dimensional multi-target radiation shielding optimization program which is developed on the basis of the genetic algorithm program and one-dimensional discrete ordinate program-ANISN. This program was applied in the optimization design analysis of the spent fuel transport container radiation shielding. The multi-objective optimization calculation model of the spent fuel transport container radiation shielding was established, and the optimization calculation of the spent fuel transport container weight and radiation dose rate was carried by this program. The calculation results were checked by Monte-Carlo program-MCNP/4C. The results show that the weight of the optimized spent fuel transport container decreases to 81.1% of the origin and the radiation dose rate decreases to below 65.4% of the origin. The maximum deviation between the calculated values from the program and the MCNP is below 5%. The results show that the optimization design scheme is feasible and the calculation result is correct. (authors)

Pure and entangled N=4 linear supermultiplets and their one-dimensional sigma-models

International Nuclear Information System (INIS)

Gonzales, Marcelo; Iga, Kevin; Khodaee, Sadi; Toppan, Francesco

2012-01-01

“Pure” homogeneous linear supermultiplets (minimal and non-minimal) of the N=4-extended one-dimensional supersymmetry algebra are classified. “Pure” means that they admit at least one graphical presentation (the corresponding graph/graphs are known as “Adinkras”). We further prove the existence of “entangled” linear supermultiplets which do not admit a graphical presentation, by constructing an explicit example of an entangled N=4 supermultiplet with field content (3, 8, 5). It interpolates between two inequivalent pure N=4 supermultiplets with the same field content. The one-dimensional N=4 sigma-model with a three-dimensional target based on the entangled supermultiplet is presented. The distinction between the notion of equivalence for pure supermultiplets and the notion of equivalence for their associated graphs (Adinkras) is discussed. Discrete properties such as “chirality” and “coloring” can discriminate different supermultiplets. The tools used in our classification include, among others, the notion of field content, connectivity symbol, commuting group, node choice group, and so on.

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

Science.gov (United States)

Wang, Wei; Shen, Jianqi

2018-06-01

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

Three-dimensional space-charge calculation method

International Nuclear Information System (INIS)

Lysenko, W.P.; Wadlinger, E.A.

1980-09-01

A method is presented for calculating space-charge forces on individual particles in a particle tracing simulation code. Poisson's equation is solved in three dimensions with boundary conditions specified on an arbitrary surface. When the boundary condition is defined by an impressed radio-frequency field, the external electric fields as well as the space-charge fields are determined. A least squares fitting procedure is used to calculate the coefficients of expansion functions, which need not be orthogonal nor individually satisfy the boundary condition

Two-dimensional structure of poly[[[μ2-1,4-bis(pyridin-4-ylbutane]bis(μ4-pentanedioatodicopper(II] acetonitrile disolvate

Directory of Open Access Journals (Sweden)

Do Nam Lee

2017-10-01

Full Text Available In the title compound, {[Cu2(μ4-C5H6O42(μ2-C14H16N2]·2CH3CN}n, the Cu2 dinuclear units are connected by glutartate ligands, forming one-dimensional double chains. These chains, are in turn bridged by 1,4-bis(pyridin-4-ylbutane ligands to form a two-dimensional layer structure parallel to (112. The carboxylate groups of the glutarate ligand bridge two copper(II ions, forming a paddle-wheel-type Cu2(CO24 dinuclear secondary building unit. A crystallographic inversion centre is located midway between two CuII ions, with a Cu...Cu distance of 2.639 (3 Å. The coordination geometry of the unique CuII ion is slightly disorted square pyramidal, formed by four equatorial carboxylate O atoms and an axial pyridyl N atom.

Stochastic confinement and dimensional reduction. Pt. 1

International Nuclear Information System (INIS)

Ambjoern, J.; Olesen, P.; Peterson, C.

1984-01-01

By Monte Carlo calculations on a 12 4 lattice we investigate four-dimensional SU(2) lattice gauge theory with respect to the conjecture that at large distances this theory reduces approximately to two-dimensional SU(2) lattice gauge theory. We find good numerical evidence for this conjecture. As a by-product we also measure the SU(2) string tension and find reasonable agreement with scaling. The 'adjoint string tension' is also found to have a reasonable scaling behaviour. (orig.)

Distillation Calculation for the Separation of {sup 13}CH{sub 4} from LNG

Energy Technology Data Exchange (ETDEWEB)

Song, K.M.; Son, S.H.; Kim, K.S.; Lee, S.K. [Korea Electric Power Research Institute, Taejon (Korea)

2002-07-01

For the purpose of {sup 13}CH{sub 4} production from LNG, the theoretical number of stages and the number of distillation column required for the separation of {sup 13}CH{sub 4} from {sup 12}CH{sub 4}/{sup 13}CH{sub 4} mixture of containing 1%-{sup 13}CH{sub 4} are calculated. Assuming the ideal liquid mixture of containing 1%-{sup 13}CH{sub 4} are calculated. Assuming the ideal liquid mixture of {sup 12}CH{sub 4} and {sup 13}CH{sub 4}, the theoretical number of stages are calculated by smoker equation and FUG method. Using the correlation between the minimum theoretical number of stages and the optimum theoretical number of stages, the number of distillation groups is calculated. From this calculation, we know that 6 groups of distillation tower with 600 stages per one column are needed for the production of 90%-{sup 13}CH{sub 4}. (author). 5 refs., 5 figs., 4 tabs.

Copper Selenidophosphates Cu4P2Se6, Cu4P3Se4, Cu4P4Se3, and CuP2Se, Featuring Zero-, One-, and Two-Dimensional Anions.

Science.gov (United States)

Kuhn, Alexander; Schoop, Leslie M; Eger, Roland; Moudrakovski, Igor; Schwarzmüller, Stefan; Duppel, Viola; Kremer, Reinhard K; Oeckler, Oliver; Lotsch, Bettina V

2016-08-15

Five new compounds in the Cu/P/Se phase diagram have been synthesized, and their crystal structures have been determined. The crystal structures of these compounds comprise four previously unreported zero-, one-, and two-dimensional selenidophosphate anions containing low-valent phosphorus. In addition to two new modifications of Cu4P2Se6 featuring the well-known hexaselenidohypodiphosphate(IV) ion, there are three copper selenidophosphates with low-valent P: Cu4P3Se4 contains two different new anions, (i) a monomeric (zero-dimensional) selenidophosphate anion [P2Se4](4-) and (ii) a one-dimensional selenidophosphate anion [Formula: see text], which is related to the well-known gray-Se-like [Formula: see text] Zintl anion. Cu4P4Se3 contains one-dimensional [Formula: see text] polyanions, whereas CuP2Se contains the 2D selenidophosphate [Formula: see text] polyanion. It consists of charge-neutral CuP2Se layers separated by a van der Waals gap which is very rare for a Zintl-type phase. Hence, besides black P, CuP2Se constitutes a new possible source of 2D oxidized phosphorus containing layers for intercalation or exfoliation experiments. Additionally, the electronic structures and some fundamental physical properties of the new compounds are reported. All compounds are semiconducting with indirect band gaps of the orders of around 1 eV. The phases reported here add to the structural diversity of chalcogenido phosphates. The structural variety of this family of compounds may translate into a variety of tunable physical properties.

Three-dimensional Monte Carlo calculations of the neutron and γ-ray fluences in the TFTR diagnostic basement and comparisons with measurements

International Nuclear Information System (INIS)

Liew, S.L.; Ku, L.P.; Kolibal, J.G.

1985-10-01

Realistic calculations of the neutron and γ-ray fluences in the TFTR diagnostic basement have been carried out with three-dimensional Monte Carlo models. Comparisons with measurements show that the results are well within the experimental uncertainties

One-dimensional thermal evolution calculation based on a mixing length theory: Application to Saturnian icy satellites

Science.gov (United States)

Kamata, S.

2017-12-01

Solid-state thermal convection plays a major role in the thermal evolution of solid planetary bodies. Solving the equation system for thermal evolution considering convection requires 2-D or 3-D modeling, resulting in large calculation costs. A 1-D calculation scheme based on mixing length theory (MLT) requires a much lower calculation cost and is suitable for parameter studies. A major concern for the MLT scheme is its accuracy due to a lack of detailed comparisons with higher dimensional schemes. In this study, I quantify its accuracy via comparisons of thermal profiles obtained by 1-D MLT and 3-D numerical schemes. To improve the accuracy, I propose a new definition of the mixing length (l), which is a parameter controlling the efficiency of heat transportation due to convection. Adopting this new definition of l, I investigate the thermal evolution of Dione and Enceladus under a wide variety of parameter conditions. Calculation results indicate that each satellite requires several tens of GW of heat to possess a 30-km-thick global subsurface ocean. Dynamical tides may be able to account for such an amount of heat, though their ices need to be highly viscous.

Two- and three-dimensional cadmium-organic frameworks with trimesic acid and 4,4'-trimethylenedipyridine.

Science.gov (United States)

Almeida Paz, Filipe A; Klinowski, Jacek

2004-06-28

Three novel cadmium-organic frameworks built-up from 1,3,5-benzenetricarboxylate anions (HXBTC(x-3)) and 4,4'-trimethylenedipyridine (TMD) have been hydrothermally synthesized, and characterized using single-crystal X-ray diffraction, thermoanalytical measurements, elemental analysis, and IR and Raman spectroscopies: [Cd(HBTC)(TMD)(2)].8.5H(2)O (I), [Cd(HBTC)(TMD)(H(2)O)].4.5H(2)O (II), and [Cd(2)(BTC)(TMD)(2)(NO(3))].3H(2)O (III), with structures I and II being isolated as a mixture of crystals. Structure I contains an undulating infinite two-dimensional [Cd(HBTC)(TMD)(2)] framework, with a (4,4) topology and rectangular pores, ca. 3.4 x 11.0 A in cross-section, distributed in a herringbone manner. The crystal structure of I is obtained by parallel packing of this 2D framework in an [ABAB.] fashion. Compound II has a porous 3D diamondoid framework with channels running in several directions of the unit cell, which allows 2-fold interpenetration to occur. The most prominent channels are distributed in a brick-wall fashion along the c axis and have a cross-section of ca. 3.2 x 13.2 A. Structure III can be seen as the three-dimensional assembly of binuclear secondary building units (SBU), which leads to a compact, neutral, and coordinatively bonded eight-connected framework, [Cd(2)(BTC)(TMD)(2)(NO(3))], exhibiting an unusual 3(6)4(22) topology. The increased flexibility of the TMD ligands (brought about by the three methylene groups between the two 4-pyridyl rings) can lead, for the same reactive system, to a large variety of crystal architectures.

Spontaneous symmetry breaking of (1+1)-dimensional φ4 theory in light-front field theory

International Nuclear Information System (INIS)

Bender, C.M.; Pinsky, S.; van de Sande, B.

1993-01-01

We study spontaneous symmetry breaking in (1+1)-dimensional φ 4 theory using the light-front formulation of field theory. Since the physical vacuum is always the same as the perturbative vacuum in light-front field theory the fields must develop a vacuum expectation value through the zero-mode components of the field. We solve the nonlinear operator equation for the zero mode in the one-mode approximation. We find that spontaneous symmetry breaking occurs at λ critical =4π(3+ √3 )μ 2 , which is consistent with the value λ critical =54.27μ 2 obtained in the equal-time theory. We calculate the vacuum expectation value as a function of the coupling constant in the broken phase both numerically and analytically using the δ expansion. We find two equivalent broken phases. Finally we show that the energy levels of the system have the expected behavior for the broken phase

Non-commutative algebra of functions of 4-dimensional quantum Hall droplet

International Nuclear Information System (INIS)

Chen Yixin; Hou Boyu; Hou Boyuan

2002-01-01

We develop the description of non-commutative geometry of the 4-dimensional quantum Hall fluid's theory proposed recently by Zhang and Hu. The non-commutative structure of fuzzy S 4 , which is the base of the bundle S 7 obtained by the second Hopf fibration, i.e., S 7 /S 3 =S 4 , appears naturally in this theory. The fuzzy monopole harmonics, which are the essential elements in the non-commutative algebra of functions on S 4 , are explicitly constructed and their obeying the matrix algebra is obtained. This matrix algebra is associative. We also propose a fusion scheme of the fuzzy monopole harmonics of the coupling system from those of the subsystems, and determine the fusion rule in such fusion scheme. By products, we provide some essential ingredients of the theory of SO(5) angular momentum. In particular, the explicit expression of the coupling coefficients, in the theory of SO(5) angular momentum, are given. We also discuss some possible applications of our results to the 4-dimensional quantum Hall system and the matrix brane construction in M-theory

Calculation of multi-dimensional dose distribution in medium due to proton beam incidence

International Nuclear Information System (INIS)

Kawachi, Kiyomitsu; Inada, Tetsuo

1978-01-01

The method of analyzing the multi-dimensional dose distribution in a medium due to proton beam incidence is presented to obtain the reliable and simplified method from clinical viewpoint, especially for the medical treatment of cancer. The heavy ion beam being taken out of an accelerator has to be adjusted to fit cancer location and size, utilizing a modified range modulator, a ridge filter, a bolus and a special scanning apparatus. The precise calculation of multi-dimensional dose distribution of proton beam is needed to fit treatment to a limit part. The analytical formulas consist of those for the fluence distribution in a medium, the divergence of flying range, the energy distribution itself, the dose distribution in side direction and the two-dimensional dose distribution. The fluence distribution in polystyrene in case of the protons with incident energy of 40 and 60 MeV, the energy distribution of protons at the position of a Bragg peak for various values of incident energy, the depth dose distribution in polystyrene in case of the protons with incident energy of 40 and 60 MeV and average energy of 100 MeV, the proton fluence and dose distribution as functions of depth for the incident average energy of 250 MeV, the statistically estimated percentage errors in the proton fluence and dose distribution, the estimated minimum detectable tumor thickness as a function of the number of incident protons for the different incident spectra with average energy of 250 MeV, the isodose distribution in a plane containing the central axis in case of the incident proton beam of 3 mm diameter and 40 MeV and so on are presented as the analytical results, and they are evaluated. (Nakai, Y.)

Three-dimensional equilibria and Mercier stability calculations

International Nuclear Information System (INIS)

Lynch, V.E.; Dominguez, N.; Carreras, B.A.; Varias, A.; Alejaldre, C.; Fraguas, A.L.

1989-01-01

It is well known that an equilibrium to be used for stability calculations must be extremely accurate. These high accuracy requirements, in a fixed boundary calculation, are translated into high accuracy in the representation of the boundary. These requirements are even stricter for stellarator configurations, for which all the information about the magnetic configuration is given externally through the boundary. Many Fourier components are required to accurately represent the boundary input from a realistic coil system. For torsatron-type configurations, as many as 50 components can be needed to describe the last closed magnetic surface for the vacuum field. For a heliac configuration, the number of components can go up to 200. For 3-D calculations, there is another question of accuracy that does not apply to stability calculations for axisymmetric systems. This is the role of resonant components in the calculation of the geodesic curvature or the Pfirsch-Schlueter current. As Boozer argues, local flattening of the pressure profile eliminates the singularities generated by the resonant components. However, to implement it in a numerical calculation and to eliminate the resonant components, it is necessary to work in a coordinate system with straight magnetic field lines. This creates another problem, since the equilibrium representation in a straight magnetic field lines coordinate system requires many more components than the optimal equilibrium representation developed by Hirshman and co-workers over the last decade and implemented in the VMEC equilibrium code. In this paper, we use the VMEC equilibrium code and tranform the results to the straight magnetic field line coordinate system to calculate the input for the stability analysis. The accuracy of the transformation and the convergence of the equilibrium in the new coordinate system are the major points discussed in this paper. 6 refs., 1 fig

Intrinsic Lead Ion Emissions in Zero-Dimensional Cs4PbBr6 Nanocrystals

KAUST Repository

Yin, Jun

2017-11-07

We investigate the intrinsic lead ion (Pb2+) emissions in zero-dimensional (0D) perovskite nanocrystals (NCs) using a combination of experimental and theoretical approaches. The temperature-dependent photoluminescence experiments for both “nonemissive” (highly suppressed green emission) and emissive (bright green emission) Cs4PbBr6 NCs show a splitting of emission spectra into high- and low-energy transitions in the ultraviolet (UV) spectral range. In the nonemissive case, we attribute the high-energy UV emission at approximately 350 nm to the allowed optical transition of 3P1 to 1S0 in Pb2+ ions and the low-energy UV emission at approximately 400 nm to the charge-transfer state involved in the 0D NC host lattice (D-state). In the emissive Cs4PbBr6 NCs, in addition to the broad UV emission, we demonstrate that energy transfer occurs from Pb2+ ions to green luminescent centers. The optical phonon modes in Cs4PbBr6 NCs can be assigned to both Pb–Br stretching and rocking motions from density functional theory calculations. Our results address the origin of the dual broadband Pb2+ ion emissions observed in Cs4PbBr6 NCs and provide insights into the mechanism of ionic exciton–optical phonon interactions in these 0D perovskites.

New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

International Nuclear Information System (INIS)

Xiong, Kecai; Liu, Wei; Teat, Simon J.; An, Litao; Wang, Hao; Emge, Thomas J.; Li, Jing

2015-01-01

Two new hybrid lead halides (H 2 BDA)[PbI 4 ] (1) (H 2 BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI 3 ] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. - Graphical abstract: Two new hybrid lead halides built on one-dimensional edge-sharing double chains and two-dimensional corner-sharing perovskite layers are synthesized and their structural and electronic properties are analyzed. - Highlights: • Two new hybrid lead iodides are designed, synthesized, and characterized. • They are closely related to, but different from, perovskite structures. • The electronic properties of both compounds are analyzed by DFT calculations

New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

Energy Technology Data Exchange (ETDEWEB)

Xiong, Kecai; Liu, Wei [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Teat, Simon J. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); An, Litao; Wang, Hao; Emge, Thomas J. [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Li, Jing, E-mail: jingli@rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States)

2015-10-15

Two new hybrid lead halides (H{sub 2}BDA)[PbI{sub 4}] (1) (H{sub 2}BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI{sub 3}] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. - Graphical abstract: Two new hybrid lead halides built on one-dimensional edge-sharing double chains and two-dimensional corner-sharing perovskite layers are synthesized and their structural and electronic properties are analyzed. - Highlights: • Two new hybrid lead iodides are designed, synthesized, and characterized. • They are closely related to, but different from, perovskite structures. • The electronic properties of both compounds are analyzed by DFT calculations.

Dimensional reduction in anomaly mediation

International Nuclear Information System (INIS)

Boyda, Ed; Murayama, Hitoshi; Pierce, Aaron

2002-01-01

We offer a guide to dimensional reduction in theories with anomaly-mediated supersymmetry breaking. Evanescent operators proportional to ε arise in the bare Lagrangian when it is reduced from d=4 to d=4-2ε dimensions. In the course of a detailed diagrammatic calculation, we show that inclusion of these operators is crucial. The evanescent operators conspire to drive the supersymmetry-breaking parameters along anomaly-mediation trajectories across heavy particle thresholds, guaranteeing the ultraviolet insensitivity

Three-dimensional porous graphene-Co{sub 3}O{sub 4} nanocomposites for high performance photocatalysts

Energy Technology Data Exchange (ETDEWEB)

Bin, Zeng, E-mail: 21467855@qq.com [College of Mechanical Engineering, Hunan University of Arts and Science, Changde 415000 (China); Hui, Long [Department of Applied Physics and Materials Research Center, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong)

2015-12-01

Highlights: • The three-dimensional porous graphene-Co{sub 3}O{sub 4} nanocomposites were synthesized. • Excellent photocatalytic performance. • Separated from the reaction medium by magnetic decantation. - Abstract: Novel three-dimensional porous graphene-Co{sub 3}O{sub 4} nanocomposites were synthesized by freeze-drying methods. Scanning and transmission electron microscopy revealed that the graphene formed a three-dimensional porous structure with Co{sub 3}O{sub 4} nanoparticles decorated surfaces. The as-obtained product showed high photocatalytic efficiency and could be easily separated from the reaction medium by magnetic decantation. This nanocomposite may be expected to have potential in water purification applications.

FLUST-2D - A computer code for the calculation of the two-dimensional flow of a compressible medium in coupled retangular areas

International Nuclear Information System (INIS)

Enderle, G.

1979-01-01

The computer-code FLUST-2D is able to calculate the two-dimensional flow of a compressible fluid in arbitrary coupled rectangular areas. In a finite-difference scheme the program computes pressure, density, internal energy and velocity. Starting with a basic set of equations, the difference equations in a rectangular grid are developed. The computational cycle for coupled fluid areas is described. Results of test calculations are compared to analytical solutions and the influence of time step and mesh size are investigated. The program was used to precalculate the blowdown experiments of the HDR experimental program. Downcomer, plena, internal vessel region, blowdown pipe and a containment area have been modelled two-dimensionally. The major results of the precalculations are presented. This report also contains a description of the code structure and user information. (orig.) [de

Improved guidelines for RELAP4/MOD6 reflood calculations

International Nuclear Information System (INIS)

Chen, T.H.; Fletcher, C.D.

1980-01-01

Computer simulations were performed for an extensive selection of forced- and gravity-feed reflood experiments. This effort was a portion of the assessment procedure for the RELAP4/MOD6 thermal hydraulic computer code. A common set of guidelines, based on recommendations from the code developers, was used in determining the model and user-selected input options for each calculation. The comparison of code-calculated and experimental data was then used to assess the capability of the RELAP4/MOD6 code to model the reflood phenomena. As a result of the assessment, the guidelines for determining the user-selected input options were improved

Perfect 3-dimensional lattice actions for 4-dimensional quantum field theories at finite temperature

International Nuclear Information System (INIS)

Kerres, U.; Mack, G.; Palma, G.

1994-12-01

We propose a two-step procedure to study the order of phase transitions at finite temperature in electroweak theory and in simplified models thereof. In a first step a coarse grained free energy is computed by perturbative methods. It is obtained in the form of a 3-dimensional perfect lattice action by a block spin transformation. It has finite temperature dependent coefficients. In this way the UV-problem and the infrared problem is separated in a clean way. In the second step the effective 3-dimensional lattice theory is treated in a nonperturbative way, either by the Feynman-Bololiubov method (solution of a gap equation), by real space renormalization group methods, or by computer simulations. In this paper we outline the principles for φ 4 -theory and scalar electrodynamics. The Balaban-Jaffe block spin transformation for the gauge field is used. It is known how to extend this transformation to the nonabelian case, but this will not be discussed here. (orig.)

Initialization bias suppression in iterative Monte Carlo calculations: benchmarks on criticality calculation

International Nuclear Information System (INIS)

Richet, Y.; Jacquet, O.; Bay, X.

2005-01-01

The accuracy of an Iterative Monte Carlo calculation requires the convergence of the simulation output process. The present paper deals with a post processing algorithm to suppress the transient due to initialization applied on criticality calculations. It should be noticed that this initial transient suppression aims only at obtaining a stationary output series, then the convergence of the calculation needs to be guaranteed independently. The transient suppression algorithm consists in a repeated truncation of the first observations of the output process. The truncation of the first observations is performed as long as a steadiness test based on Brownian bridge theory is negative. This transient suppression method was previously tuned for a simplified model of criticality calculations, although this paper focuses on the efficiency on real criticality calculations. The efficiency test is based on four benchmarks with strong source convergence problems: 1) a checkerboard storage of fuel assemblies, 2) a pin cell array with irradiated fuel, 3) 3 one-dimensional thick slabs, and 4) an array of interacting fuel spheres. It appears that the transient suppression method needs to be more widely validated on real criticality calculations before any blind using as a post processing in criticality codes

Semiclassical calculation for collision induced dissociation. III. Restricted two dimensional Morse oscillator model

International Nuclear Information System (INIS)

Rusinek, I.

1980-01-01

A semiclassical procedure previously used for collinear CID calculations is applied to the perpendicular collisions (2D, no rotation, zero impact parameter) of a Morse homonuclear diatomic molecule and an atom, interacting via an exponential repulsive potential. Values of the dissociation probability (P/sup diss/) are given as a function of total energy (E/sub t/) and initial vibrational state (n 1 =0,1,3,5) for a system with three identical masses. The results are compared with the P/sup diss/ previously reported for an identical one dimensional system. We find: (a) quasiclassical P/sup diss/ that are a good approximation to the semiclassical ones, if CID is classically allowed, (b) vibrational enhancement of CID, and (c) energetic thresholds for dissociation similar to the ones found in the collinear case

Two dimensional burn-up calculation of TRIGA core

International Nuclear Information System (INIS)

Persic, A.; Ravnik, M.; Slavic, S.

1996-01-01

TRIGLAV is a new computer program for burn-up calculation of mixed core of research reactors. The code is based on diffusion model in two dimensions and iterative procedure is applied for its solution. The material data used in the model are calculated with the transport program WIMS. In regard to fission density distribution and energy produced by the reactor the burn-up increment of fuel elements is determined. In this paper the calculation model of diffusion constants and burn-up calculation are described and some results of calculations for TRIGA MARK II reactor are presented. (author)

A new three-dimensional cobalt phosphate: Co5(OH2)4(HPO4)2(PO4)2

International Nuclear Information System (INIS)

Han Zhangang; Tian Aixiang; Peng Jun; Zhai Xueliang

2006-01-01

A three-dimensional (3D) cobalt phosphate: Co 5 (OH 2 ) 4 (HPO 4 ) 2 (PO 4 ) 2 (1), has been synthesized by hydrothermal reaction and characterized by single-crystal X-ray diffraction, thermogravimetric analysis, and magnetic techniques. The title compound is a template free cobalt phosphate. Compound 1 exhibits a complex net architecture based on edge- and corner-sharing of CoO 6 and PO 4 polyhedra. The magnetic susceptibility measurements indicated that the title compound obeys Curie-Weiss behavior down to a temperature of 17 K at which an antiferromagnetic phase transition occurs. - Graphical abstract: A 3D cobalt phosphate with a neutral framework: Co 5 (OH 2 ) 4 (HPO 4 ) 2 (PO 4 ) 2 (1), has been synthesized and characterized. Compound 1 exhibits a complex net architecture based on edge- and corner-sharing of CoO 6 and PO 4 polyhedra. Its magnetic property was researched

On low-energy effective action in three-dimensional = 2 and = 4 supersymmetric electrodynamics

Science.gov (United States)

Buchbinder, I. L.; Merzlikin, B. S.; Samsonov, I. B.

2013-11-01

We discuss general structure of low-energy effective actions in = 2 and = 4 three-dimensional supersymmetric electrodynamics (SQED) in gauge superfield sector. There are specific terms in the effective action having no four-dimensional analogs. Some of these terms are responsible for the moduli space metric in the Coulomb branch of the theory. We find two-loop quantum corrections to the moduli space metric in the = 2 SQED and show that in the = 4 SQED the moduli space does not receive two-loop quantum corrections.

RAMONA-4B a computer code with three-dimensional neutron kinetics for BWR and SBWR system transient - user's manual

International Nuclear Information System (INIS)

Rohatgi, U.S.; Cheng, H.S.; Khan, H.J.; Mallen, A.N.; Neymotin, L.Y.

1998-03-01

This document is the User's Manual for the Boiling Water Reactor (BWR), and Simplified Boiling Water Reactor (SBWR) systems transient code RAMONA-4B. The code uses a three-dimensional neutron-kinetics model coupled with a multichannel, nonequilibrium, drift-flux, phase-flow model of the thermal hydraulics of the reactor vessel. The code is designed to analyze a wide spectrum of BWR core and system transients. Chapter 1 gives an overview of the code's capabilities and limitations; Chapter 2 describes the code's structure, lists major subroutines, and discusses the computer requirements. Chapter 3 is on code, auxillary codes, and instructions for running RAMONA-4B on Sun SPARC and IBM Workstations. Chapter 4 contains component descriptions and detailed card-by-card input instructions. Chapter 5 provides samples of the tabulated output for the steady-state and transient calculations and discusses the plotting procedures for the steady-state and transient calculations. Three appendices contain important user and programmer information: lists of plot variables (Appendix A) listings of input deck for sample problem (Appendix B), and a description of the plotting program PAD (Appendix C). 24 refs., 18 figs., 11 tabs

Four-dimensional (4D) tracking of high-temperature microparticles

International Nuclear Information System (INIS)

Wang, Zhehui; Liu, Q.; Waganaar, W.; Fontanese, J.; James, D.; Munsat, T.

2016-01-01

High-speed tracking of hot and molten microparticles in motion provides rich information about burning plasmas in magnetic fusion. An exploding-wire apparatus is used to produce moving high-temperature metallic microparticles and to develop four-dimensional (4D) or time-resolved 3D particle tracking techniques. The pinhole camera model and algorithms developed for computer vision are used for scene calibration and 4D reconstructions. 3D positions and velocities are then derived for different microparticles. Velocity resolution approaches 0.1 m/s by using the local constant velocity approximation.

Methodology of calculation in one-dimensional kinetic

International Nuclear Information System (INIS)

Paixao, S.B.; Marzo, M.A.S.; Alvim, A.C.M.

1986-01-01

This paper resulted from a study of the WIGLE's program calculation method ]1], which is RESTRICTED to USA users. In view of this fact, a successful attempt was made to fully understand and reproduce the WIGLE methodology, thus providing support for national development on the subject. After finishing the theoretical study, CITER-1D, a program for search of control rod position in PWR slabs under steady-state conditions was written and is supposed to correctly reproduce WIGL3 ]4] version behavior. Program restriction to steady-state conditions was due to scarcity of examples, thought to be intentional, as well as to time limitations for conclusion of a M.Sc. Thesis ]2], which originated this work. Results obtained with CITER-1D agree very well with the ones found in the the available literature pertaining to WIGL3. Further work on CITER-1D is being pursued, in order to complete the program. (Author) [pt

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

A point-kernel shielding code for calculations of neutron and secondary gamma-ray 1cm dose equivalents: PKN

International Nuclear Information System (INIS)

Kotegawa, Hiroshi; Tanaka, Shun-ichi

1991-09-01

A point-kernel integral technique code, PKN, and the related data library have been developed to calculate neutron and secondary gamma-ray dose equivalents in water, concrete and iron shields for neutron sources in 3-dimensional geometry. The comparison between calculational results of the present code and those of the 1-dimensional transport code ANISN = JR, and the 2-dimensional transport code DOT4.2 showed a sufficient accuracy, and the availability of the PKN code has been confirmed. (author)

1D to 3D dimensional crossover in the superconducting transition of the quasi-one-dimensional carbide superconductor Sc3CoC4.

Science.gov (United States)

He, Mingquan; Wong, Chi Ho; Shi, Dian; Tse, Pok Lam; Scheidt, Ernst-Wilhelm; Eickerling, Georg; Scherer, Wolfgang; Sheng, Ping; Lortz, Rolf

2015-02-25

The transition metal carbide superconductor Sc(3)CoC(4) may represent a new benchmark system of quasi-one-dimensional (quasi-1D) superconducting behavior. We investigate the superconducting transition of a high-quality single crystalline sample by electrical transport experiments. Our data show that the superconductor goes through a complex dimensional crossover below the onset T(c) of 4.5 K. First, a quasi-1D fluctuating superconducting state with finite resistance forms in the [CoC(4)](∞) ribbons which are embedded in a Sc matrix in this material. At lower temperature, the transversal Josephson or proximity coupling of neighboring ribbons establishes a 3D bulk superconducting state. This dimensional crossover is very similar to Tl(2)Mo(6)Se(6), which for a long time has been regarded as the most appropriate model system of a quasi-1D superconductor. Sc(3)CoC(4) appears to be even more in the 1D limit than Tl(2)Mo(6)Se(6).

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%.

Physical Properties of (NH4)2Pt(CN)4[Clo.42].3H2O: A new Quasi-One-Dimensional Conductor

DEFF Research Database (Denmark)

Carneiro, Kim; Petersen, A. S.; Underhill, A. E.

1979-01-01

The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest for the the......The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest...

CT liver volumetry using three-dimensional image data in living donor liver transplantation: Effects of slice thickness on volume calculation

Science.gov (United States)

Hori, Masatoshi; Suzuki, Kenji; Epstein, Mark L.; Baron, Richard L.

2011-01-01

The purpose was to evaluate a relationship between slice thickness and calculated volume on CT liver volumetry by comparing the results for images with various slice thicknesses including three-dimensional images. Twenty adult potential liver donors (12 men, 8 women; mean age, 39 years; range, 24–64) underwent CT with a 64-section multi-detector row CT scanner after intra-venous injection of contrast material. Four image sets with slice thicknesses of 0.625 mm, 2.5 mm, 5 mm, and 10 mm were used. First, a program developed in our laboratory for automated liver extraction was applied to CT images, and the liver boundary was obtained automatically. Then, an abdominal radiologist reviewed all images on which automatically extracted boundaries were superimposed, and edited the boundary on each slice to enhance the accuracy. Liver volumes were determined by counting of the voxels within the liver boundary. Mean whole liver volumes estimated with CT were 1322.5 cm3 on 0.625-mm, 1313.3 cm3 on 2.5-mm, 1310.3 cm3 on 5-mm, and 1268.2 cm3 on 10-mm images. Volumes calculated for three-dimensional (0.625-mm-thick) images were significantly larger than those for thicker images (Pvolumetry. If not, three-dimensional images could be essential. PMID:21850689

Development of a BWR core burn-up calculation code COREBN-BWR

International Nuclear Information System (INIS)

Morimoto, Yuichi; Okumura, Keisuke

1992-05-01

In order to evaluate core performances of BWR type reactors, the three dimensional core burnup calculation code COREBN-BWR and the fuel management code HIST-BWR have been developed. In analyses of BWR type reactors, thermal hydraulics calculations must be coupled with neutronics calculations to evaluate core performances, because steam void distribution changes according to the change of the power distribution. By installing new functions as follows to the three dimensional core burnup code COREBN2 developed in JAERI for PWR type reactor analyses, the code system becomes to be applicable to burnup analyses of BWR type reactors. (1) Macroscopic cross section calculation function taking into account of coolant void distribution. (2) Thermal hydraulics calculation function to evaluate core flow split, coolant void distribution and thermal margin. (3) Burnup calculation function under the Haling strategy. (4) Fuel management function to incorporate the thermal hydraulics information. This report consists of the general description, calculational models, input data requirements and their explanations, detailed information on usage and sample input. (author)

First-principles calculated decomposition pathways for LiBH4 nanoclusters

Science.gov (United States)

Huang, Zhi-Quan; Chen, Wei-Chih; Chuang, Feng-Chuan; Majzoub, Eric H.; Ozoliņš, Vidvuds

2016-05-01

We analyze thermodynamic stability and decomposition pathways of LiBH4 nanoclusters using grand-canonical free-energy minimization based on total energies and vibrational frequencies obtained from density-functional theory (DFT) calculations. We consider (LiBH4)n nanoclusters with n = 2 to 12 as reactants, while the possible products include (Li)n, (B)n, (LiB)n, (LiH)n, and Li2BnHn; off-stoichiometric LinBnHm (m ≤ 4n) clusters were considered for n = 2, 3, and 6. Cluster ground-state configurations have been predicted using prototype electrostatic ground-state (PEGS) and genetic algorithm (GA) based structural optimizations. Free-energy calculations show hydrogen release pathways markedly differ from those in bulk LiBH4. While experiments have found that the bulk material decomposes into LiH and B, with Li2B12H12 as a kinetically inhibited intermediate phase, (LiBH4)n nanoclusters with n ≤ 12 are predicted to decompose into mixed LinBn clusters via a series of intermediate clusters of LinBnHm (m ≤ 4n). The calculated pressure-composition isotherms and temperature-pressure isobars exhibit sloping plateaus due to finite size effects on reaction thermodynamics. Generally, decomposition temperatures of free-standing clusters are found to increase with decreasing cluster size due to thermodynamic destabilization of reaction products.

Infinite-dimensional Lie algebras in 4D conformal quantum field theory

International Nuclear Information System (INIS)

Bakalov, Bojko; Nikolov, Nikolay M; Rehren, Karl-Henning; Todorov, Ivan

2008-01-01

The concept of global conformal invariance (GCI) opens the way of applying algebraic techniques, developed in the context of two-dimensional chiral conformal field theory, to a higher (even) dimensional spacetime. In particular, a system of GCI scalar fields of conformal dimension two gives rise to a Lie algebra of harmonic bilocal fields, V M (x, y), where the M span a finite dimensional real matrix algebra M closed under transposition. The associative algebra M is irreducible iff its commutant M' coincides with one of the three real division rings. The Lie algebra of (the modes of) the bilocal fields is in each case an infinite-dimensional Lie algebra: a central extension of sp(∞,R) corresponding to the field R of reals, of u(∞, ∞) associated with the field C of complex numbers, and of so*(4∞) related to the algebra H of quaternions. They give rise to quantum field theory models with superselection sectors governed by the (global) gauge groups O(N), U(N) and U(N,H)=Sp(2N), respectively

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

International Nuclear Information System (INIS)

Li, Jun; Chen, Jun; Zhao, Zhiqiang; Zhang, Dong H.; Xie, Daiqian; Guo, Hua

2015-01-01

We report a permutationally invariant global potential energy surface (PES) for the H + CH 4 system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J tot = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)

4+ Dimensional nuclear systems engineering

International Nuclear Information System (INIS)

Suh, Kune Y.

2009-01-01

Nuclear power plants (NPPs) require massive quantity of data during the design, construction, operation, maintenance and decommissioning stages because of their special features like size, cost, radioactivity, and so forth. The system engineering thus calls for a fully integrated way of managing the information flow spanning their life cycle. This paper proposes digital systems engineering anchored in three dimensional (3D) computer aided design (CAD) models. The signature in the proposal lies with the four plus dimensional (4 + D) Technology TM , a critical know how for digital management. ESSE (Engineering Super Simulation Emulation) features a 4 + D Technology TM for nuclear energy systems engineering. The technology proposed in the 3D space and time plus cost coordinates, i.e. 4 + D, is the backbone of digital engineering in the nuclear systems design and management. Dased on an integrated 3D configuration management system, ESSE consists of solutions JANUS (Junctional Analysis Neodynamic Unit SoftPower), EURUS (Engineering Utilities Research Unit SoftPower), NOTUS (Neosystemic Optimization Technical Unit SoftPower), VENUS (Virtual Engineering Neocybernetic Unit SoftPower) and INUUS (Informative Neographic Utilities Unit SoftPower). NOTUS contributes to reducing the construction cost of the NPPs by optimizing the component manufacturing procedure and the plant construction process. Planning and scheduling construction projects can thus benefit greatly by integrating traditional management techniques with digital process simulation visualization. The 3D visualization of construction processes and the resulting products intrinsically afford most of the advantages realized by incorporating a purely schedule level detail based the 4 + D system. Problems with equipment positioning and manpower congestion in certain areas can be visualized prior to the actual operation, thus preventing accidents and safety problems such as collision between two machines and losses in

Quantum fluctuations and spontaneous compactification of eleven-dimensional gravity

International Nuclear Information System (INIS)

Nguen Van Hieu.

1985-01-01

The reduction of the eleven-dimensional pure gravity to the field theory in the four-dimensional Minkowski space-time by means of the spontaneous compactification of the extra dimensions is investigated. The contribution of the quantum fluctuations of the eleven-dimen-- sonal second rank symmetric tensor field to the curvatures of the space-time and the compactified space of the extra dimensions are calculated in the one-loop approximation. It is shown that there exist the values of the cosmological constant for which tachions are absent. As a result, self-consistent quantum field theory is obtained in spontaneous compactified Minkowski space M 4 xS 7 ,is where M 4 is Minkowski space-time, and S 7 is seven-dimensional sphere

Ab initio calculations of 3H(d,n)4He fusion

International Nuclear Information System (INIS)

Navratil, Petr; Quaglioni, Sofia

2012-01-01

We build a new ab initio many-body approach capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group method with the ab initio no-core shell model. In this way, we complement a microscopic-cluster technique with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. We will present the first results of the d- 3 H and d- 3 He fusion calculation obtained within our ab initio approach. We will also discuss our d- 4 He, 3 H- 4 He and 3 H- 3 H scattering calculations and the outline of the extension of the formalism to include three-cluster final states with the goal to calculate the 3 H( 3 H,2n) 4 He cross section

Advances in supercell calculation methods and comparison with measurements

Energy Technology Data Exchange (ETDEWEB)

Arsenault, B [Atomic Energy of Canada Limited, Mississauga, Ontario (Canada); Baril, R; Hotte, G [Hydro-Quebec, Central Nucleaire Gentilly, Montreal, Quebec (Canada)

1996-07-01

In the last few years, modelling techniques have been developed in new supercell computer codes. These techniques have been used to model the CANDU reactivity devices. One technique is based on one- and two-dimensional transport calculations with the WIMS-AECL lattice code followed by super homogenization and three-dimensional flux calculations in a modified version of the MULTICELL code. The second technique is based on two- and three-dimensional transport calculations in DRAGON. The code calculates the lattice properties by solving the transport equation in a two-dimensional geometry followed by supercell calculations in three dimensions. These two calculation schemes have been used to calculate the incremental macroscopic properties of CANDU reactivity devices. The supercell size has also been modified to define incremental properties over a larger region. The results show improved agreement between the reactivity worth of zone controllers and adjusters. However, at the same time the agreement between measured and simulated flux distributions deteriorated somewhat. (author)

Final results of the fifth three-dimensional dynamic Atomic Energy Research benchmark problem calculations

International Nuclear Information System (INIS)

Hadek, J.

1999-01-01

The paper gives a brief survey of the fifth three-dimensional dynamic Atomic Energy Research benchmark calculation results received with the code DYN3D/ATHLET at NRI Rez. This benchmark was defined at the seventh Atomic Energy Research Symposium (Hoernitz near Zittau, 1997). Its initiating event is a symmetrical break of the main steam header at the end of the first fuel cycle and hot shutdown conditions with one stuck out control rod group. The calculations were performed with the externally coupled codes ATHLET Mod.1.1 Cycle C and DYN3DH1.1/M3. The standard WWER-440/213 input deck of ATHLET code was adopted for benchmark purposes and for coupling with the code DYN3D. The first part of paper contains a brief characteristics of NPP input deck and reactor core model. The second part shows the time dependencies of important global and local parameters. In comparison with the results published at the eighth Atomic Energy Research Symposium (Bystrice nad Pernstejnem, 1998), the results published in this paper are based on improved ATHLET descriptions of control and safety systems. (Author)

Neutron energy spectra calculations in the low power research reactor

International Nuclear Information System (INIS)

Omar, H.; Khattab, K.; Ghazi, N.

2011-01-01

The neutron energy spectra have been calculated in the fuel region, inner and outer irradiation sites of the zero power research reactor using the MCNP-4C code and the combination of the WIMS-D/4 transport code for generation of group constants and the three-dimensional CITATION diffusion code for core analysis calculations. The neutron energy spectrum has been divided into three regions and compared with the proposed empirical correlations. The calculated thermal and fast neutron fluxes in the low power research reactor MNSR inner and outer irradiation sites have been compared with the measured results. Better agreements have been noticed between the calculated and measured results using the MCNP code than those obtained by the CITATION code. (author)

SNAP - a three dimensional neutron diffusion code

International Nuclear Information System (INIS)

McCallien, C.W.J.

1993-02-01

This report describes a one- two- three-dimensional multi-group diffusion code, SNAP, which is primarily intended for neutron diffusion calculations but can also carry out gamma calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP can solve the multi-group neutron diffusion equations using finite difference methods. The one-dimensional slab, cylindrical and spherical geometries and the two-dimensional case are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. (Author)

Discriminating trpzip2 and trpzip4 peptides’ folding landscape using the two-dimensional infrared spectroscopy: A simulation study

International Nuclear Information System (INIS)

Wu, Tianmin; Zhang, Ruiting; Li, Huanhuan; Zhuang, Wei; Yang, Lijiang

2014-01-01

We analyzed, based on the theoretical spectroscopic modeling, how the differences in the folding landscapes of two β-hairpin peptides trpzip2 and trpzip4 are reflected in their thermal unfolding infrared measurements. The isotope-edited equilibrium FTIR and two dimensional infrared spectra of the two peptides were calculated, using the nonlinear exciton propagation method, at a series of temperatures. The spectra calculations were based on the configuration distributions generated using the GB OBC implicit solvent MD simulation and the integrated tempering sampling technique. Conformational analysis revealed the different local thermal stabilities for these two peptides, which suggested the different folding landscapes. Our study further suggested that the ellipticities of the isotope peaks in the coherent IR signals are more sensitive to these local stability differences compared with other spectral features such as the peak intensities. Our technique can thus be combined with the relevant experimental measurements to achieve a better understanding of the peptide folding behaviors

Classical testing particles and (4 + N)-dimensional theories of space-time

International Nuclear Information System (INIS)

Nieto-Garcia, J.A.

1986-01-01

The Lagrangian theory of a classical relativistic spinning test particle (top) developed by Hanson and Regge and by Hojman is briefly reviewed. Special attention is devoted to the constraints imposed on the dynamical variables associated with the system of this theory. The equations for a relativistic top are formulated in a way suitable for use in the study of geometrical properties of the 4 + N-dimensional Kaluza-Klein background. It is shown that the equations of motion of a top in five dimensions reduce to the Hanson-Regge generalization of the Bargmann-Michel-Telegdi equations of motion in four dimensions when suitable conditions on the spin tensor are imposed. The classical bosonic relativistic string theory is discussed and the connection of this theory with the top theory is examined. It is found that the relation between the string and the top leads naturally to the consideration of a 3-dimensional extended system (called terron) which sweeps out a 4-dimensional surface as it evolves in a space-time. By using a square root procedure based on ideas by Teitelboim a theory of a supersymmetric top is developed. The quantization of the new supersymmetric system is discussed. Conclusions and suggestions for further research are given

RAMONA-4B a computer code with three-dimensional neutron kinetics for BWR and SBWR system transient - user`s manual

Energy Technology Data Exchange (ETDEWEB)

Rohatgi, U.S.; Cheng, H.S.; Khan, H.J.; Mallen, A.N.; Neymotin, L.Y.

1998-03-01

This document is the User`s Manual for the Boiling Water Reactor (BWR), and Simplified Boiling Water Reactor (SBWR) systems transient code RAMONA-4B. The code uses a three-dimensional neutron-kinetics model coupled with a multichannel, nonequilibrium, drift-flux, phase-flow model of the thermal hydraulics of the reactor vessel. The code is designed to analyze a wide spectrum of BWR core and system transients. Chapter 1 gives an overview of the code`s capabilities and limitations; Chapter 2 describes the code`s structure, lists major subroutines, and discusses the computer requirements. Chapter 3 is on code, auxillary codes, and instructions for running RAMONA-4B on Sun SPARC and IBM Workstations. Chapter 4 contains component descriptions and detailed card-by-card input instructions. Chapter 5 provides samples of the tabulated output for the steady-state and transient calculations and discusses the plotting procedures for the steady-state and transient calculations. Three appendices contain important user and programmer information: lists of plot variables (Appendix A) listings of input deck for sample problem (Appendix B), and a description of the plotting program PAD (Appendix C). 24 refs., 18 figs., 11 tabs.

Validation of the blurring of a small object on CT images calculated on the basis of three-dimensional spatial resolution

International Nuclear Information System (INIS)

Okubo, Masaki; Wada, Shinichi; Saito, Masatoshi

2005-01-01

We determine three-dimensional (3D) blurring of a small object on computed tomography (CT) images calculated on the basis of 3D spatial resolution. The images were characterized by point spread function (PSF), line spread function (LSF) and slice sensitivity profile (SSP). In advance, we systematically arranged expressions in the model for the imaging system to calculate 3D images under various conditions of spatial resolution. As a small object, we made a blood vessel phantom in which the direction of the vessel was not parallel to either the xy scan-plane or the z-axis perpendicular to the scan-plane. Therefore, when scanning the phantom, non-sharpness must be induced in all axes of the image. To predict the image blurring of the phantom, 3D spatial resolution is essential. The LSF and SSP were measured on our scanner, and two-dimensional (2D) PSF in the scan-plane was derived from the LSF by solving an integral equation. We obtained 3D images by convolving the 3D object-function of the phantom with both 2D PSF and SSP, corresponding to the 3D convolution. Calculated images showed good agreement with scanned images. Our technique of determining 3D blurring offers an accuracy advantage in 3D shape (size) and density measurements of small objects. (author)

Stochastic and collisional diffusion in two-dimensional periodic flows

International Nuclear Information System (INIS)

Doxas, I.; Horton, W.; Berk, H.L.

1990-05-01

The global effective diffusion coefficient D* for a two-dimensional system of convective rolls with a time dependent perturbation added, is calculated. The perturbation produces a background diffusion coefficient D, which is calculated analytically using the Menlikov-Arnold integral. This intrinsic diffusion coefficient is then enhanced by the unperturbed flow, to produce the global effective diffusion coefficient D*, which we can calculate theoretically for a certain range of parameters. The theoretical value agrees well with numerical simulations. 23 refs., 4 figs

FLICA-4 (version 1). A computer code for three dimensional thermal analysis of nuclear reactor cores

International Nuclear Information System (INIS)

Raymond, P.; Allaire, G.; Boudsocq, G.; Caruge, D.; Gramont, T. de; Toumi, I.

1995-01-01

FLICA-4 is a thermal-hydraulic computer code, developed at the French Atomic Energy Commission (CEA) for three-dimensional steady-state or transient two-phase flow, and aimed at design and safety thermal analysis of nuclear reactor cores. It is available for various UNIX workstations and CRAY computers under UNICOS.It is based on four balance equations which include three balance equations for the mixture and a mass balance equation for the less concentrated phase which allows for the calculation of non equilibrium flows such as sub-cooled boiling and superheated steam. A drift velocity model takes into account the velocity unbalance between phases. The equations are solved using a finite volume numerical scheme. Typical running time, specific features (coupling with other codes) and auxiliary programs are presented. 1 tab., 9 refs

Two-dimensional collapse calculations of cylindrical clouds

International Nuclear Information System (INIS)

Bastien, P.; Mitalas, R.

1979-01-01

A two-dimensional hydrodynamic computer code has been extensively modified and expanded to study the collapse of non-rotating interstellar clouds. The physics and the numerical methods involved are discussed. The results are presented and discussed in terms of the Jeans number. The critical Jeans number for collapse of non-rotating cylindrical clouds whose length is the same as their diameter is 1.00. No evidence for fragmentation has been found for these clouds, but fragmentation seems quite likely for more elongated cylindrical clouds. (author)

Three-dimensional calculations of neutron streaming in the beam tubes of the ORNL HFIR [High Flux Isotope Reactor] Reactor

International Nuclear Information System (INIS)

Childs, R.L.; Rhoades, W.A.; Williams, L.R.

1988-01-01

The streaming of neutrons through the beam tubes in High Flux Isotope Reactor at Oak Ridge National Laboratory has resulted in a reduction of the fracture toughness of the reactor vessel. As a result, an evaluation of vessel integrity was undertaken in order to determine if the reactor can be operated again. As a part of this evaluation, three-dimensional neutron transport calculations were performed to obtain fluxes at points of interest in the wall of the vessel. By comparing the calculated and measured activation of dosimetry specimens from the vessel surveillance program, it was determined that the calculated flux shape was satisfactory to transpose the surveillance data to the locations in the vessel. A bias factor was applied to correct for the average C/E ratio of 0.69. 8 refs., 7 figs., 3 tabs

Three-dimensional Monte Carlo calculation of some nuclear parameters

Science.gov (United States)

Günay, Mehtap; Şeker, Gökmen

2017-09-01

In this study, a fusion-fission hybrid reactor system was designed by using 9Cr2WVTa Ferritic steel structural material and the molten salt-heavy metal mixtures 99-95% Li20Sn80 + 1-5% RG-Pu, 99-95% Li20Sn80 + 1-5% RG-PuF4, and 99-95% Li20Sn80 + 1-5% RG-PuO2, as fluids. The fluids were used in the liquid first wall, blanket and shield zones of a fusion-fission hybrid reactor system. Beryllium (Be) zone with the width of 3 cm was used for the neutron multiplication between the liquid first wall and blanket. This study analyzes the nuclear parameters such as tritium breeding ratio (TBR), energy multiplication factor (M), heat deposition rate, fission reaction rate in liquid first wall, blanket and shield zones and investigates effects of reactor grade Pu content in the designed system on these nuclear parameters. Three-dimensional analyses were performed by using the Monte Carlo code MCNPX-2.7.0 and nuclear data library ENDF/B-VII.0.

Three-dimensional Monte Carlo calculation of some nuclear parameters

Directory of Open Access Journals (Sweden)

Günay Mehtap

2017-01-01

Full Text Available In this study, a fusion-fission hybrid reactor system was designed by using 9Cr2WVTa Ferritic steel structural material and the molten salt-heavy metal mixtures 99–95% Li20Sn80 + 1-5% RG-Pu, 99–95% Li20Sn80 + 1-5% RG-PuF4, and 99–95% Li20Sn80 + 1-5% RG-PuO2, as fluids. The fluids were used in the liquid first wall, blanket and shield zones of a fusion–fission hybrid reactor system. Beryllium (Be zone with the width of 3 cm was used for the neutron multiplication between the liquid first wall and blanket. This study analyzes the nuclear parameters such as tritium breeding ratio (TBR, energy multiplication factor (M, heat deposition rate, fission reaction rate in liquid first wall, blanket and shield zones and investigates effects of reactor grade Pu content in the designed system on these nuclear parameters. Three-dimensional analyses were performed by using the Monte Carlo code MCNPX-2.7.0 and nuclear data library ENDF/B-VII.0.

Remarks on the development of a multiblock three-dimensional Euler code for out of core and multiprocessor calculations

International Nuclear Information System (INIS)

Jameson, A.; Leicher, S.; Dawson, J.; Tel Aviv Univ., Israel)

1985-01-01

A multiblock modification of the FLO57 code for three-dimensional wing calculations is described and demonstrated. The theoretical basis of the multistage time-stepping algorithm is reviewed; the multiblock grid structure is explained; and results from a computation of vortical flow past a delta wing, using 2.5 x 10 to the 6th grid points and performed on a Cray X/MP computer with a 128-Mword solid-state storage device, are presented graphically. 6 references

CSRtrack Faster Calculation of 3-D CSR Effects

CERN Document Server

Dohlus, Martin

2004-01-01

CSRtrack is a new code for the simulation of Coherent Synchrotron radiation effects on the beam dynamics of linear accelerators. It incorporates the physics of our previous code, TraFiC4, and adds new algorithms for the calculation of the CSR fields. A one-dimensional projected method allows quick estimates and a greens function method allows 3D calculations about ten times faster than with the `direct' method. The tracking code is written in standard FORTRAN77 and has its own parser for comfortable input of calculation parameters and geometry. Phase space input and the analysis of the traced particle distribution is done with MATLAB interface programs.

A two-dimensional organic–inorganic hybrid compound, poly[(ethylenediaminetri-μ-oxido-oxidocopper(IImolybdenum(VI

Directory of Open Access Journals (Sweden)

Mehtap Emirdag-Eanes

2008-10-01

Full Text Available A new organic–inorganic two-dimensional hybrid compound, [CuMoO4(C2H8N2], has been hydrothermally synthesized at 443 K. The unit cell contains layers composed of CuN2O4 octahedra and MoO4 tetrahedra. Corner-sharing MoO4 and CuN2O4 polyhedra form CuMoO4 bimetallic sites that are joined together through O atoms, forming an edge-sharing Cu2Mo2O4 chain along the c axis. The one-dimensional chains are further linked through bridging O atoms that join the Cu and Mo atoms into respective chains along the b axis, thus establishing layers in the bc plane. The ethylenediamine ligand is coordinated to the Cu atom through its two N atoms and is oriented perpendicularly to the two-dimensional –Cu—O—Mo– layers. The average distance between adjacent layers, as calculated by consideration of the closest and furthest distances between two layers, is 8.7 Å. The oxidation states of the Mo and Cu atoms of VI and II, respectively, were confirmed by bond-valence sum calculations.

Study of fission dynamics with the three-dimensional Langevin equations

Energy Technology Data Exchange (ETDEWEB)

Eslamizadeh, H. [Persian Gulf University, Department of Physics, Bushehr (Iran, Islamic Republic of)

2011-11-15

The dynamics of fission has been studied by solving one- and three-dimensional Langevin equations with dissipation generated through the chaos weighted wall and window friction formula. The average prescission neutron multiplicities, fission probabilities and the mean fission times have been calculated in a broad range of the excitation energy for compound nuclei {sup 210}Po and {sup 224}Th formed in the fusion-fission reactions {sup 4}He+{sup 206}Pb, {sup 16}O+{sup 208}Pb and results compared with the experimental data. The analysis of the results shows that the average prescission neutron multiplicities, fission probabilities and the mean fission times calculated by one- and three-dimensional Langevin equations are different from each other, and also the results obtained based on three-dimensional Langevin equations are in better agreement with the experimental data. (orig.)

Poster - 21: Verification of Monitor Unit Calculations for Breast Field-In-Field Three-Dimensional Conformal Radiotherapy Plans

International Nuclear Information System (INIS)

Kosztyla, Robert; Pierce, Greg; Ploquin, Nicolas; Roumeliotis, Michael; Schinkel, Colleen

2016-01-01

Purpose: To determine the source of systematic monitor unit (MU) calculation discrepancies between RadCalc and Eclipse treatment planning software for three-dimensional conformal radiotherapy field-in-field breast treatments. Methods: Data were reviewed for 28 patients treated with a field-in-field breast technique with MU calculations from RadCalc that were larger than MU calculations from Eclipse for at least one field. The distance of the calculation point from the jaws was measured in each field’s beam’s-eye-view and compared with the percentage difference in MU (%ΔMU) between RadCalc and Eclipse. 10×10, 17×13 and 20×20 cm 2 beam profiles were measured using the Profiler 2 diode array for 6-MV photon beams and compared with profiles calculated with Eclipse and RadCalc using a gamma analysis (3%, 3 mm). Results: The mean %ΔMU was 1.3%±0.3%. There was a statistically-significant correlation between %ΔMU and the distance of the calculation point from the Y jaw (r=−0.43, p<0.001). RadCalc profiles differed from measured profiles, especially near the jaws. The gamma pass rate for 6-MV fields of 17×13 cm 2 field size was 95%±1% for Eclipse-generated profiles and 53%±20% for RadCalc-generated profiles (p=0.01). Conclusions: Calculations using RadCalc for field-in-field breast plans resulted in MUs that were larger than expected from previous clinical experience with wedged plans with calculation points far from the jaws due to the position of the calculation point near the jaws in the beam’s-eye-view of each field.

Poster - 21: Verification of Monitor Unit Calculations for Breast Field-In-Field Three-Dimensional Conformal Radiotherapy Plans

Energy Technology Data Exchange (ETDEWEB)

Kosztyla, Robert; Pierce, Greg; Ploquin, Nicolas; Roumeliotis, Michael; Schinkel, Colleen [Tom Baker Cancer Centre, Calgary, AB, Tom Baker Cancer Centre, Tom Baker Cancer Centre, Tom Baker Cancer Centre, Calgary, AB, Tom Baker Cancer Centre, Calgary, AB (Canada)

2016-08-15

Purpose: To determine the source of systematic monitor unit (MU) calculation discrepancies between RadCalc and Eclipse treatment planning software for three-dimensional conformal radiotherapy field-in-field breast treatments. Methods: Data were reviewed for 28 patients treated with a field-in-field breast technique with MU calculations from RadCalc that were larger than MU calculations from Eclipse for at least one field. The distance of the calculation point from the jaws was measured in each field’s beam’s-eye-view and compared with the percentage difference in MU (%ΔMU) between RadCalc and Eclipse. 10×10, 17×13 and 20×20 cm{sup 2} beam profiles were measured using the Profiler 2 diode array for 6-MV photon beams and compared with profiles calculated with Eclipse and RadCalc using a gamma analysis (3%, 3 mm). Results: The mean %ΔMU was 1.3%±0.3%. There was a statistically-significant correlation between %ΔMU and the distance of the calculation point from the Y jaw (r=−0.43, p<0.001). RadCalc profiles differed from measured profiles, especially near the jaws. The gamma pass rate for 6-MV fields of 17×13 cm{sup 2} field size was 95%±1% for Eclipse-generated profiles and 53%±20% for RadCalc-generated profiles (p=0.01). Conclusions: Calculations using RadCalc for field-in-field breast plans resulted in MUs that were larger than expected from previous clinical experience with wedged plans with calculation points far from the jaws due to the position of the calculation point near the jaws in the beam’s-eye-view of each field.

TORT application in reactor pressure vessel neutron flux calculations

International Nuclear Information System (INIS)

Belousov, S.I.; Ilieva, K.D.; Antonov, S.Y.

1994-01-01

The neutron flux values onto reactor pressure vessel for WWER-1000 and WWER-440 reactors, at the places important for metal embrittlement surveillance have been calculated by 3 dimensional code TORT and synthesis method. The comparison of the results received by both methods confirms their good consistency. (authors). 13 refs., 4 tabs

Preliminary regulatory audit calculation for Shinkori Units 3 and 4 LBLOCA

Energy Technology Data Exchange (ETDEWEB)

Woo, S. W.; Kim, B. S.; Kim, J. K. (and others)

2006-12-15

The objective of this study is to perform a preliminary evaluation for Shinkori Units 3 and 4 LBLOCA by applying KINS Realistic Evaluation Methodology (REM). The following results were obtained: (1) From the evaluation for Shinkori Units 3 and 4 LBLOCA, the peak cladding temperature was evaluated to meet the regulatory requirement and the feasibility of the KINS-REM was identified. (2) The input decks that were developed in the previous studies, were reviewed and the evaluation model of the fluidic device was developed and applied for the audit calculation. (3) The treating method for the uncertainty of the gap conductance was developed and applied for the audit calculation. (4) The pre- and post-processing programs were developed for this study. (5) For the more detailed assessments, the information for the gap conductance, etc. should be improved and the effects of coolant bypass during blowdown, steam binding and so on were not sufficiently evaluated. KINS-REM should be advanced to evaluate these effects properly. The KINS methodology that was used in this study, can be further applied for independent regulatory audit calculations related to the licensing application on LOCA best estimate calculation.

Comparison of 'system thermal-hydraulics-3 dimensional reactor kinetics' coupled calculations using the MARS 1D and 3D modules and the MASTER code

International Nuclear Information System (INIS)

Jung, J. J.; Joo, H. K.; Lee, W. J.; Ji, S. K.; Jung, B. D.

2002-01-01

KAERI has developed the coupled 'system thermal-hydraulics - 3 dimensional reactor kinetics' code, MARS/MASTER since 1998. However, there is a limitation in the existing MARS/MASTER code; that is, to perform the coupled calculations using MARS/MASTER, we have to utilize the hydrodynamic model and the heat structure model of the MARS '3D module'. In some transients, reactor kinetics behavior is strongly multi-dimensional, but core thermal-hydraulic behavior remains in one-dimensional manner. For efficient analysis of such transients, we coupled the MARS 1D module with MASTER. The new feature has been assessed by the 'OECD NEA Main Steam Line Break (MSLB) benchmark exercise III' simulations

Basic problems solving for two-dimensional discrete 3 × 4 order hidden markov model

International Nuclear Information System (INIS)

Wang, Guo-gang; Gan, Zong-liang; Tang, Gui-jin; Cui, Zi-guan; Zhu, Xiu-chang

2016-01-01

A novel model is proposed to overcome the shortages of the classical hypothesis of the two-dimensional discrete hidden Markov model. In the proposed model, the state transition probability depends on not only immediate horizontal and vertical states but also on immediate diagonal state, and the observation symbol probability depends on not only current state but also on immediate horizontal, vertical and diagonal states. This paper defines the structure of the model, and studies the three basic problems of the model, including probability calculation, path backtracking and parameters estimation. By exploiting the idea that the sequences of states on rows or columns of the model can be seen as states of a one-dimensional discrete 1 × 2 order hidden Markov model, several algorithms solving the three questions are theoretically derived. Simulation results further demonstrate the performance of the algorithms. Compared with the two-dimensional discrete hidden Markov model, there are more statistical characteristics in the structure of the proposed model, therefore the proposed model theoretically can more accurately describe some practical problems.

Four-dimensional dose evaluation using deformable image registration in radiotherapy for liver cancer

Energy Technology Data Exchange (ETDEWEB)

Hoon Jung, Sang; Min Yoon, Sang; Ho Park, Sung; Cho, Byungchul; Won Park, Jae; Jung, Jinhong; Park, Jin-hong; Hoon Kim, Jong; Do Ahn, Seung [Departments of Radiation Oncology, Asan Medical Center, University of Ulsan College of Medicine, 88, Olympic-ro 43-gil, Songpa-gu, Seoul 138-736 (Korea, Republic of)

2013-01-15

Purpose: In order to evaluate the dosimetric impact of respiratory motion on the dose delivered to the target volume and critical organs during free-breathing radiotherapy, a four-dimensional dose was evaluated using deformable image registration (DIR). Methods: Four-dimensional computed tomography (4DCT) images were acquired for 11 patients who were treated for liver cancer. Internal target volume-based treatment planning and dose calculation (3D dose) were performed using the end-exhalation phase images. The four-dimensional dose (4D dose) was calculated based on DIR of all phase images from 4DCT to the planned image. Dosimetric parameters from the 4D dose, were calculated and compared with those from the 3D dose. Results: There was no significant change of the dosimetric parameters for gross tumor volume (p > 0.05). The increase D{sub mean} and generalized equivalent uniform dose (gEUD) for liver were by 3.1%{+-} 3.3% (p= 0.003) and 2.8%{+-} 3.3% (p= 0.008), respectively, and for duodenum, they were decreased by 15.7%{+-} 11.2% (p= 0.003) and 15.1%{+-} 11.0% (p= 0.003), respectively. The D{sub max} and gEUD for stomach was decreased by 5.3%{+-} 5.8% (p= 0.003) and 9.7%{+-} 8.7% (p= 0.003), respectively. The D{sub max} and gEUD for right kidney was decreased by 11.2%{+-} 16.2% (p= 0.003) and 14.9%{+-} 16.8% (p= 0.005), respectively. For left kidney, D{sub max} and gEUD were decreased by 11.4%{+-} 11.0% (p= 0.003) and 12.8%{+-} 12.1% (p= 0.005), respectively. The NTCP values for duodenum and stomach were decreased by 8.4%{+-} 5.8% (p= 0.003) and 17.2%{+-} 13.7% (p= 0.003), respectively. Conclusions: The four-dimensional dose with a more realistic dose calculation accounting for respiratory motion revealed no significant difference in target coverage and potentially significant change in the physical and biological dosimetric parameters in normal organs during free-breathing treatment.

Nucleonic calculations for possible irradiation experiments in SAPHIR

International Nuclear Information System (INIS)

Caro, M.; Pelloni, S.

1990-01-01

Accurate two-dimensional calculations show that a 'neutronic environment' exists in the SAPHIR reactor at the Paul Scherrer Institute (PSI) to simulate the inner surface of a given trepan of the Gundremmingen reactor. Neutron fluences and DPA rates were calculated at two positions in SAPHIR using the modern codes and nuclear data (from JEF-1). A particular region of the reactor can be found in which fluences and DPA rates agree well within a few percent with the Gundremmingen reference case. (author) 13 figs., 4 tabs., 18 refs

A simplified, coarse-mesh, three-dimensional diffusion scheme for calculating the gross power distribution in a boiling water reactor

International Nuclear Information System (INIS)

Borresen, S.

1995-01-01

A simplified, finite-difference diffusion scheme for a three-dimensional calculation of the gross power distribution in the core of a boiling water reactor (BWR) is presented. Results obtained in a series of one- and two-dimensional test cases indicate that this method may be of sufficient accuracy and simplicity for implementation in BWR-simulator computer programs. Computer requirements are very modest; thus, only 3N memory locations are required for in-core treatment of the inner iteration in the solution of a problem with N mesh points. The mesh width may be chosen equal to the fuel assembly pitch. Input data are in the form of conventional 2-group diffusion parameters. It is concluded that the method presented has definite advantages in comparison with the nodal coupling method. (author)

Peak clustering in two-dimensional gas chromatography with mass spectrometric detection based on theoretical calculation of two-dimensional peak shapes: the 2DAid approach.

Science.gov (United States)

van Stee, Leo L P; Brinkman, Udo A Th

2011-10-28

A method is presented to facilitate the non-target analysis of data obtained in temperature-programmed comprehensive two-dimensional (2D) gas chromatography coupled to time-of-flight mass spectrometry (GC×GC-ToF-MS). One main difficulty of GC×GC data analysis is that each peak is usually modulated several times and therefore appears as a series of peaks (or peaklets) in the one-dimensionally recorded data. The proposed method, 2DAid, uses basic chromatographic laws to calculate the theoretical shape of a 2D peak (a cluster of peaklets originating from the same analyte) in order to define the area in which the peaklets of each individual compound can be expected to show up. Based on analyte-identity information obtained by means of mass spectral library searching, the individual peaklets are then combined into a single 2D peak. The method is applied, amongst others, to a complex mixture containing 362 analytes. It is demonstrated that the 2D peak shapes can be accurately predicted and that clustering and further processing can reduce the final peak list to a manageable size. Copyright © 2011 Elsevier B.V. All rights reserved.

Thermodynamics of one-dimensional SU(4) and SU(6) fermions with attractive interactions

Science.gov (United States)

Hoffman, M. D.; Loheac, A. C.; Porter, W. J.; Drut, J. E.

2017-03-01

Motivated by advances in the manipulation and detection of ultracold atoms with multiple internal degrees of freedom, we present a finite-temperature lattice Monte Carlo calculation of the density and pressure equations of state, as well as Tan's contact, of attractively interacting SU(4)- and SU(6)-symmetric fermion systems in one spatial dimension. We also furnish a nonperturbative proof of a universal relation whereby quantities computable in the SU(2) case completely determine the virial coefficients of the SU(Nf) case. These one-dimensional systems are appealing because they can be experimentally realized in highly constrained traps and because of the dominant role played by correlations. The latter are typically nonperturbative and are crucial for understanding ground states and quantum phase transitions. While quantum fluctuations are typically overpowered by thermal ones in one and two dimensions at any finite temperature, we find that quantum effects do leave their imprint in thermodynamic quantities. Our calculations show that the additional degrees of freedom, relative to the SU(2) case, provide a dramatic enhancement of the density and pressure (in units of their noninteracting counterparts) in a wide region around vanishing β μ , where β is the inverse temperature and μ the chemical potential. As shown recently in experiments, the thermodynamics we explore here can be measured in a controlled and precise fashion in highly constrained traps and optical lattices. Our results are a prediction for such experiments in one dimension with atoms of high nuclear spin.

A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

International Nuclear Information System (INIS)

Su Xiaoxing; Wang Yuesheng

2010-01-01

In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Su Xiaoxing, E-mail: xxsu@bjtu.edu.c [School of Electronic and Information Engineering, Beijing Jiaotong University, Beijing 100044 (China); Wang Yuesheng [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China)

2010-09-01

In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

Classical solutions for the 4-dimensional σ-nonlinear model

International Nuclear Information System (INIS)

Tataru-Mihai, P.

1979-01-01

By interpreting the σ-nonlinear model as describing the Gauss map associated to a certain immersion, several classes of classical solutions for the 4-dimensional model are derived. As by-products one points out i) an intimate connection between the energy-momentum tensor of the solution and the second differential form of the immersion associated to it and ii) a connection between self- (antiself-)duality of the solution and the minimality of the associated immersion. (author)

Multi-dimensional fission-barrier calculations from Se to the SHE; from the proton to the neutron drip lines

International Nuclear Information System (INIS)

Moeller, Peter; Sierk, Arnold J.; Bengtsson, Ragnar; Iwamoto, Akira

2003-01-01

We present fission-barrier-height calculations for nuclei throughout the periodic system based on a realistic theoretical model of the multi-dimensional potential-energy surface of a fissioning nucleus. This surface guides the nuclear shape evolution from the ground state, over inner and outer saddle points, to the final configurations of separated fission fragments. We have previously shown that our macroscopic-microscopic nuclear potential-energy model yields calculated 'outer' fission-barrier heights (E B ) for even-even nuclei throughout the periodic system that agree with experimental data to within about 1.0 MeV. We present final results of this work. Just recently we have enhanced our macroscopic-microscopic nuclear potential-energy model to also allow the consideration of axially asymmetric shapes. This shape degree of freedom has a substantial effect on the calculated height (E A ) of the inner peak of some actinide fission barriers. We present examples of fission-barrier calculations by use of this model with its redetermined constants. Finally we discuss what the model now tells us about fission barriers at the end of the r-process nucleosynthesis path. (author)

Accurate quantum calculations of the reaction rates for H/D+ CH4

NARCIS (Netherlands)

Harrevelt, R. van; Nyman, G.; Manthe, U.

2007-01-01

In previous work [T. Wu, H. J. Werner, and U. Manthe, Science 306, 2227 (2004)], accurate quantum reaction rate calculations of the rate constant for the H+CH4 -> CH3+H-2 reaction have been presented. Both the electronic structure calculations and the nuclear dynamics calculations are converged with

Comparison of calculational methods for EBT reactor nucleonics

International Nuclear Information System (INIS)

Henninger, R.J.; Seed, T.J.; Soran, P.D.; Dudziak, D.J.

1980-01-01

Nucleonic calculations for a preliminary conceptual design of the first wall/blanket/shield/coil assembly for an EBT reactor are described. Two-dimensional Monte Carlo, and one- and two-dimensional discrete-ordinates calculations are compared. Good agreement for the calculated values of tritium breeding and nuclear heating is seen. We find that the three methods are all useful and complementary as a design of this type evolves

Advanced 3-dimensional electron kinetic calculations for the current drive problem in magnetically confined thermonuclear plasmas

International Nuclear Information System (INIS)

Peysson, Y.; Decker, J.; Bers, A.; Ram, A.; Harvey, R.

2004-01-01

Accurate and fast electron kinetic calculations is a challenging issue for realistic simulations of thermonuclear tokamak plasmas. Relativistic corrections and electron trajectory effects must be fully taken into account for high temperature burning plasmas, while codes should also consistently describe wave-particle resonant interactions in presence of locally large gradients close to internal transport barrier. In that case, neoclassical effects may come into play and self-consistent evaluation of both the radio-frequency and bootstrap currents must be performed. In addition, a complex interplay between momentum and radial electron dynamics may take place, in presence of a possible energy dependent radial transport. Besides the physics needs, there are considerable numerical issues to solve, in order to reduce computer time consumption and memory requirements at an acceptable level, so that kinetic calculations may be valuably incorporated in a chain of codes which determines plasma equilibrium and wave propagation. So far, fully implicit 3-dimensional calculations based on a finite difference scheme and an incomplete L and U matrices factorization have been found to be so most effective method to reach this goal. A review of the present status in this active field of physics is presented, with an emphasis on possible future improvements. (authors)

Polarization and sidewall effects in a coal fired MHD channel - three-dimensional calculation

International Nuclear Information System (INIS)

Ishikawa, M.; Scott, M.H.; Wu, Y.C.L.

1981-01-01

The effects of slag polarization of electrodes and the sidewall configuration on generator performance are studied experimentally and analytically. An analysis of the voltage-current characteristics between two generator frames measured during the operation of the TP40-07 experiment is given, along with an examination of nonuniformities of interframe voltage. Experimental data show that the polarization effect reduces about 3% of the overall electrical performance of the 60 deg diagonal conducting channel used in the study. Analytically, the effect of polarization on the local current and potential distributions is examined by solving the three-dimensional electrical potential using a finite element method. A moderate increase in conductivity in the vicinity of the cathode-side frame is found to give a calculated leakage resistance which approximates the value derived experimentally. The polarization effect results in a large change in the potential and current distributions near the frame but has a small effect on the overall electrical performance. Alternate sidewall/electrode configurations are treated analytically

SU-F-207-13: Comparison of Four Dimensional Computed Tomography (4D CT) Versus Breath Hold Images to Determine Pulmonary Nodule Elasticity

Energy Technology Data Exchange (ETDEWEB)

Negahdar, M; Loo, B; Maxim, P [Stanford University School of Medicine, Stanford, CA (United States)

2015-06-15

Purpose: Elasticity may distinguish malignant from benign pulmonary nodules. To compare determining of malignant pulmonary nodule (MPN) elasticity from four dimensional computed tomography (4D CT) images versus inhale/exhale breath-hold CT images. Methods: We analyzed phase 00 and 50 of 4D CT and deep inhale and natural exhale of breath-hold CT images of 30 MPN treated with stereotactic ablative radiotherapy (SABR). The radius of the smallest MPN was 0.3 cm while the biggest one was 2.1 cm. An intensity based deformable image registration (DIR) workflow was applied to the 4D CT and breath-hold images to determine the volumes of the MPNs and a 1 cm ring of surrounding lung tissue (ring) in each state. Next, an elasticity parameter was derived by calculating the ratio of the volume changes of MPN (exhale:inhale or phase50:phase00) to that of a 1 cm ring of lung tissue surrounding the MPN. The proposed formulation of elasticity enables us to compare volume changes of two different MPN in two different locations of lung. Results: The calculated volume ratio of MPNs from 4D CT (phase50:phase00) and breath-hold images (exhale:inhale) was 1.00±0.23 and 0.95±0.11, respectively. It shows the stiffness of MPN and comparably bigger volume changes of MPN in breath-hold images because of the deeper degree of inhalation. The calculated elasticity of MPNs from 4D CT and breath-hold images was 1.12±0.22 and 1.23±0.26, respectively. For five patients who have had two MPN in their lung, calculated elasticity of tumor A and tumor B follows same trend in both 4D CT and breath-hold images. Conclusion: We showed that 4D CT and breath-hold images are comparable in the ability to calculate the elasticity of MPN. This study has been supported by Department of Defense LCRP 2011 #W81XWH-12-1-0286.

Complex reactor cell calculation by means of consecutive use of the one-dimensional algorithms based on the DSsub(n)-method

International Nuclear Information System (INIS)

Kalashnikov, A.G.; Elovskaya, L.F.; Glebov, A.P.; Kuznetsova, L.I.

1981-01-01

The technique for approximate calculation of the water cooled and moderated reactor cell based on using the DSn-method and the TESI-2S program for the BESM-6 computer in which the proposed technique is realized are described. The calculational technique is based on division of the reactor complex cell into simple one-dimensional cylindrical cells. Series of cells obtained that way is calculated beginning from the first one. After each cell calculation the macrocross sections are averaged over the cell vomome using the neutron spatial and energy distribution. The possibility of approximate account for neutron transport between the cells of the same rank by equating neutron fluxes on the cell boundary is supposed. The spatially and energy neutron flux distribution over cells is performed using the conditions of isotropic neutron reflection on the cell boundary. The results of the proposed technique approbation on the example of the ABV-1.5 reactor fuel assembly high accuracy and reliability of the employed algorithm [ru

Calculation of two-dimensional thermal transients by the finite element method

International Nuclear Information System (INIS)

Fontoura Rodrigues, J.L.A. da; Barcellos, C.S. de

1981-01-01

The linear heat conduction through anisotropic and/or heterogeneous matter, in either two-dimensional fields with any kind of geometry or three-dimensional fields with axial symmetry is analysed. It only accepts time-independent boundary conditions and it is possible to have internal heat generation. The solution is obtained by modal analysis employing the finite element method under Galerkin formulation. (Author) [pt

Development and application of the automated Monte Carlo biasing procedure in SAS4

International Nuclear Information System (INIS)

Tang, J.S.; Broadhead, B.L.

1995-01-01

An automated approach for biasing Monte Carlo shielding calculations is described. In particular, adjoint fluxes from a one-dimensional discrete-ordinates calculation are used to generate biasing parameters for a three-dimensional Monte Carlo calculation. The automated procedure consisting of cross-section processing, adjoint flux determination, biasing parameter generation, and the initiation of a MORSE-SGC/S Monte Carlo calculation has been implemented in the SAS4 module of the SCALE computer code system. (author)

Criticality calculation method for mixer-settlers

International Nuclear Information System (INIS)

Gonda, Kozo; Aoyagi, Haruki; Nakano, Ko; Kamikawa, Hiroshi.

1980-01-01

A new criticality calculation code MACPEX has been developed to evaluate and manage the criticality of the process in the extractor of mixer-settler type. MACPEX can perform the combined calculation with the PUREX process calculation code MIXSET, to get the neutron flux and the effective multiplication constant in the mixer-settlers. MACPEX solves one-dimensional diffusion equation by the explicit difference method and the standard source-iteration technique. The characteristics of MACPEX are as follows. 1) Group constants of 4 energy groups for the 239 Pu-H 2 O solution, water, polyethylene and SUS 28 are provided. 2) The group constants of the 239 Pu-H 2 O solution are given by the functional formulae of the plutonium concentration, which is less than 50 g/l. 3) Two boundary conditions of the vacuum condition and the reflective condition are available in this code. 4) The geometrical bucklings can be calculated for a certain energy group and/or region by using the three dimentional neutron flux profiles obtained by CITATION. 5) The buckling correction search can be carried out in order to get a desired k sub(eff). (author)

Non-perturbative background field calculations

International Nuclear Information System (INIS)

Stephens, C.R.; Department of Physics, University of Utah, Salt Lake City, Utah 84112)

1988-01-01

New methods are developed for calculating one loop functional determinants in quantum field theory. Instead of relying on a calculation of all the eigenvalues of the small fluctuation equation, these techniques exploit the ability of the proper time formalism to reformulate an infinite dimensional field theoretic problem into a finite dimensional covariant quantum mechanical analog, thereby allowing powerful tools such as the method of Jacobi fields to be used advantageously in a field theory setting. More generally the methods developed herein should be extremely valuable when calculating quantum processes in non-constant background fields, offering a utilitarian alternative to the two standard methods of calculation: perturbation theory in the background field or taking the background field into account exactly. The formalism developed also allows for the approximate calculation of covariances of partial differential equations from a knowledge of the solutions of a homogeneous ordinary differential equation. copyright 1988 Academic Press, Inc

Chiral anomaly, fermionic determinant and two dimensional models

International Nuclear Information System (INIS)

Rego Monteiro, M.A. do.

1985-01-01

The chiral anomaly in random pair dimension is analysed. This anomaly is perturbatively calculated by dimensional regularization method. A new method for non-perturbative Jacobian calculation of a general chiral transformation, 1.e., finite and non-Abelian, is developed. This method is used for non-perturbative chiral anomaly calculation, as an alternative to bosonization of two-dimensional theories for massless fermions and to study the phenomenum of fermion number fractionalization. The fermionic determinant from two-dimensional quantum chromodynamics is also studied, and calculated, exactly, as in decoupling gauge as with out reference to a particular gauge. (M.C.K.) [pt

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

International Nuclear Information System (INIS)

Lu, X; Tervola, P; Viljanen, M

2005-01-01

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

Electron/Photon Verification Calculations Using MCNP4B

Energy Technology Data Exchange (ETDEWEB)

D. P. Gierga; K. J. Adams

1999-04-01

MCNP4BW was released in February 1997 with significant enhancements to electron/photon transport methods. These enhancements have been verified against a wide range of published electron/photon experiments, spanning high energy bremsstrahlung production to electron transmission and reflection. The impact of several MCNP tally options and physics parameters was explored in detail. The agreement between experiment and simulation was usually within two standard deviations of the experimental and calculational errors. Furthermore, sub-step artifacts for bremsstrahlung production were shown to be mitigated. A detailed suite of electron depth dose calculations in water is also presented. Areas for future code development have also been explored and include the dependence of cell and detector tallies on different bremsstrahlung angular models and alternative variance reduction splitting schemes for bremsstrahlung production.

Two-dimensional analytic weighting functions for limb scattering

Science.gov (United States)

Zawada, D. J.; Bourassa, A. E.; Degenstein, D. A.

2017-10-01

Through the inversion of limb scatter measurements it is possible to obtain vertical profiles of trace species in the atmosphere. Many of these inversion methods require what is often referred to as weighting functions, or derivatives of the radiance with respect to concentrations of trace species in the atmosphere. Several radiative transfer models have implemented analytic methods to calculate weighting functions, alleviating the computational burden of traditional numerical perturbation methods. Here we describe the implementation of analytic two-dimensional weighting functions, where derivatives are calculated relative to atmospheric constituents in a two-dimensional grid of altitude and angle along the line of sight direction, in the SASKTRAN-HR radiative transfer model. Two-dimensional weighting functions are required for two-dimensional inversions of limb scatter measurements. Examples are presented where the analytic two-dimensional weighting functions are calculated with an underlying one-dimensional atmosphere. It is shown that the analytic weighting functions are more accurate than ones calculated with a single scatter approximation, and are orders of magnitude faster than a typical perturbation method. Evidence is presented that weighting functions for stratospheric aerosols calculated under a single scatter approximation may not be suitable for use in retrieval algorithms under solar backscatter conditions.

Three-Dimensional Elasto-Plastic Calculations Using Yield Surfaces with Corner Discontinuities

DEFF Research Database (Denmark)

Clausen, Johan; Andersen, Lars; Damkilde, Lars

2009-01-01

This paper presents a simple and efficient way of dealing with the corners found in many yield surfaces, especially in geotechnical engineering. The efficiency of the method is demonstrated through three-dimensional computational examples.......This paper presents a simple and efficient way of dealing with the corners found in many yield surfaces, especially in geotechnical engineering. The efficiency of the method is demonstrated through three-dimensional computational examples....

Multi-dimensional medical images compressed and filtered with wavelets

International Nuclear Information System (INIS)

Boyen, H.; Reeth, F. van; Flerackers, E.

2002-01-01

Full text: Using the standard wavelet decomposition methods, multi-dimensional medical images can be compressed and filtered by repeating the wavelet-algorithm on 1D-signals in an extra loop per extra dimension. In the non-standard decomposition for multi-dimensional images the areas that must be zero-filled in case of band- or notch-filters are more complex than geometric areas such as rectangles or cubes. Adding an additional dimension in this algorithm until 4D (e.g. a 3D beating heart) increases the geometric complexity of those areas even more. The aim of our study was to calculate the boundaries of the formed complex geometric areas, so we can use the faster non-standard decomposition to compress and filter multi-dimensional medical images. Because a lot of 3D medical images taken by PET- or SPECT-cameras have only a few layers in the Z-dimension and compressing images in a dimension with a few voxels is usually not worthwhile, we provided a solution in which one can choose which dimensions will be compressed or filtered. With the proposal of non-standard decomposition on Daubechies' wavelets D2 to D20 by Steven Gollmer in 1992, 1D data can be compressed and filtered. Each additional level works only on the smoothed data, so the transformation-time halves per extra level. Zero-filling a well-defined area alter the wavelet-transform and then performing the inverse transform will do the filtering. To be capable to compress and filter up to 4D-Images with the faster non-standard wavelet decomposition method, we have investigated a new method for calculating the boundaries of the areas which must be zero-filled in case of filtering. This is especially true for band- and notch filtering. Contrary to the standard decomposition method, the areas are no longer rectangles in 2D or cubes in 3D or a row of cubes in 4D: they are rectangles expanded with a half-sized rectangle in the other direction for 2D, cubes expanded with half cubes in one and quarter cubes in the

Quasirelativistic calculation of 4s24p5, 4s24p44d and 4s4p6 configuration spectroscopic parameters for the W39+ ion

International Nuclear Information System (INIS)

Bogdanovich, P; Karpuškienė, R; Kisielius, R

2015-01-01

The ab initio quasirelativistic Hartree–Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions is used to derive spectral data for the 4s 2 4p 5 , 4s 2 4p 4 4d and 4s4p 6 configurations of the multicharged tungsten ion W 39+ . The relativistic effects are taken into account in the Breit–Pauli approximation for the quasirelativistic Hartree–Fock radial orbitals. The configuration interaction method is applied to include the electron correlation effects. Produced data are compared with existing experimental measurements and theoretical calculations. (paper)

D-dimensional moments of inertia

International Nuclear Information System (INIS)

Bender, C.M.; Mead, L.R.

1995-01-01

We calculate the moments of inertia of D-dimensional spheres and spherical shells, where D is a complex number. We also examine the moments of inertia of fractional-dimensional geometrical objects such as the Cantor set and the Sierpinski carpet and their D-dimensional analogs. copyright 1995 American Association of Physics Teachers

DFT calculations on 1,4-dithiine and S-oxygenated derivatives

Directory of Open Access Journals (Sweden)

E. Vessally

2008-12-01

Full Text Available The molecular structures of 1,4-dithiine and S-oxygenated derivatives are studied using B3LYP/6-311++G** level of theory. These compounds have 8π-electrons in the ring. This led to stabilization of non-planar conformation. DFT calculations show that 1,4-dithiine, C4H4SS, 1,4-dithiine-1-oxide, C4H4SOS, 1,4-dithiine-1,4-dioxide, C4H4SOSO and 1,4-dithiine-1,1,4-trioxide, C4H4SO2SO; have boat conformation. 1,4-dithiine-1,1-dioxide, C4H4SO2S, have a shadow boat conformation. 1,4-dithiine-1,1,4,4-tetraoxide, C4H4SO2SO2, have a planar conformation.

Pure Cs4PbBr6: Highly Luminescent Zero-Dimensional Perovskite Solids

KAUST Repository

Saidaminov, Makhsud I.; Almutlaq, Jawaher; Sarmah, Smritakshi P.; Dursun, Ibrahim; Zhumekenov, Ayan A.; Begum, Raihana; Pan, Jun; Cho, Nam Chul; Mohammed, Omar F.; Bakr, Osman

2016-01-01

more than 2 orders of magnitude lower PLQY. Such a PLQY of Cs4PbBr6 is significantly higher than that of other solid forms of lower-dimensional metal halide perovskite derivatives and perovskite nanocrystals. We attribute this dramatic increase in PL

Analytic calculation of the dynamical aperture for the two dimensional betatron motion in storage rings

International Nuclear Information System (INIS)

Hagel, J.; Moshammer, H.

1988-01-01

In this paper the authors study the on- momentum nonlinear equations of motion for the coupled transverse motion of a single charged particle in a storage ring. The authors seek for the maximum initial linear amplitudes in the two transverse directions x and y which lead to bounded particle motion as t tends to infinity. Although the authors restrict themselves to sextupole fields in this paper, the authors may easily extend the method to any order multipole. The aim of this work is to derive an analytic approximate expression for the dynamical aperture. The authors approach the solutions of x and y by use of a classical secular perturbation theory. Every coefficient of the perturbation series can be expressed as an analytic function of all the lower order coefficients. Although perturbation theory if it is evaluated to certain specific order leads only to an approximation in terms of bounded (trigonometric) functions the authors may derive information about the stability limit by considering the convergency radius of the general perturbation. This is done in the present paper by deriving an approximate analytic expression for the n-th order perturbation contribution of the whole series using only results up to second order. The actual calculations have been performed for the fully two dimensional case but for simplicity the authors shall explain only the one dimensional case of the pure horizontal motion

Magnetic field calculation of the Na-4 muon spectrometer

International Nuclear Information System (INIS)

Cvach, J.; Il'yushchenko, V.I.; Savin, I.A.; Vorozhtsov, S.B.

1980-01-01

A NA-4 muon spectrometer is described. Preliminary results of calculating a magnetic field in a toroidal magnetic detector are given. The spectrometer includes 10 similar supermodules each of which consists of 32 iron discs with 275 cm outer diameter magnetized up to saturation. Each module is an independent detector. The POISSON program is used for calculating magnetic field distribution in a toroidal spectrometer magnet. The results obtained show that a magnetic field of iron is a toroidal one and drops approximately according to the logarithmic law from 21.1 kGs on an inner magnet rig to 17.7 kGs on an outer. Magnet support gives approximately 2 % error

Neutron spectra calculation in material in order to compute irradiation damage

International Nuclear Information System (INIS)

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

1982-01-01

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

TP1 - A computer program for the calculation of reactivity and kinetic parameters by one-dimensional neutron transport perturbation theory

International Nuclear Information System (INIS)

Kobayashi, K.

1979-03-01

TP1, a FORTRAN-IV program based on transport theory, has been developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry. Direct and adjoint angular dependent neutron fluxes are read from an interface file prepared by using the one-dimensional Ssub(n)-code DTK which provides options for slab, cylindrical and spherical geometry. Multigroup cross sections which are equivalent to those of the DTK-calculations are supplied in the SIGM-block which is also read from an interface file. This block which is usually produced by the code GRUCAL should contain the necessary delayed neutron data, which can be added to the original SIGMN-block by using the code SIGMUT. Two perturbation options are included in TP1: a) the usual first oder perturbation theory can be applied to determine probe reactivities, b) assuming that there are available direct fluxes for the unperturbed reactor system and adjoint fluxes for the perturbed system, the exact reactivity effect induced by the perturbation can be determined by an exact perturbation calculation. According to the input specifications, the output lists the reactivity contributions for each neutron reaction process in the desired detailed spatial and energy group resolution. (orig./RW) [de

Three-dimensional space charge calculation method

International Nuclear Information System (INIS)

Lysenko, W.P.; Wadlinger, E.A.

1981-01-01

A method is presented for calculating space-charge forces suitable for use in a particle tracing code. Poisson's equation is solved in three dimensions with boundary conditions specified on an arbitrary surface by using a weighted residual method. Using a discrete particle distribution as our source input, examples are shown of off-axis, bunched beams of noncircular crosssection in radio-frequency quadrupole (RFQ) and drift-tube linac geometries

Benchmark calculations on nuclear characteristics of JRR-4 HEU core by SRAC code system

International Nuclear Information System (INIS)

Arigane, Kenji

1987-04-01

The reduced enrichment program for the JRR-4 has been progressing based on JAERI's RERTR (Reduced Enrichment Research and Test Reactor) program. The SRAC (JAERI Thermal Reactor Standard Code System for Reactor Design and Analysis) is used for the neutronic design of the JRR-4 LEU Core. This report describes the benchmark calculations on the neutronic characteristics of the JRR-4 HEU Core in order to validate the calculation method. The benchmark calculations were performed on the various kind of neutronic characteristics such as excess reactivity, criticality, control rod worth, thermal neutron flux distribution, void coefficient, temperature coefficient, mass coefficient, kinetic parameters and poisoning effect by Xe-135 build up. As the result, it was confirmed that these calculated values are in satisfactory agreement with the measured values. Therefore, the calculational method by the SRAC was validated. (author)

Observations and calculations of two-dimensional angular optical scattering (TAOS) patterns of a single levitated cluster of two and four microspheres

International Nuclear Information System (INIS)

Krieger, U.K.; Meier, P.

2011-01-01

We use single bi-sphere particles levitated in an electrodynamic balance to record two-dimensional angular scattering patterns at different angles of the coordinate system of the aggregate relative to the incident laser beam. Due to Brownian motion the particle covers the whole set of possible angles with time and allows to select patterns with high symmetry for analysis. These are qualitatively compared to numerical calculations. A small cluster of four spheres shows complex scattering patterns, comparison with computations suggest a low compactness for these clusters. An experimental procedure is proposed for studying restructuring effects occurring in mixed particles upon evaporation. - Research highlights: → Single levitated bi-sphere particle. → Two-dimensional angular scattering pattern. → Comparison experiment with computations.

Non-perturbative background field calculations

Science.gov (United States)

Stephens, C. R.

1988-01-01

New methods are developed for calculating one loop functional determinants in quantum field theory. Instead of relying on a calculation of all the eigenvalues of the small fluctuation equation, these techniques exploit the ability of the proper time formalism to reformulate an infinite dimensional field theoretic problem into a finite dimensional covariant quantum mechanical analog, thereby allowing powerful tools such as the method of Jacobi fields to be used advantageously in a field theory setting. More generally the methods developed herein should be extremely valuable when calculating quantum processes in non-constant background fields, offering a utilitarian alternative to the two standard methods of calculation—perturbation theory in the background field or taking the background field into account exactly. The formalism developed also allows for the approximate calculation of covariances of partial differential equations from a knowledge of the solutions of a homogeneous ordinary differential equation.

Vectorization of nuclear codes for atmospheric transport and exposure calculation of radioactive materials

International Nuclear Information System (INIS)

Asai, Kiyoshi; Shinozawa, Naohisa; Ishikawa, Hirohiko; Chino, Masamichi; Hayashi, Takashi

1983-02-01

Three computer codes MATHEW, ADPIC of LLNL and GAMPUL of JAERI for prediction of wind field, concentration and external exposure rate of airborne radioactive materials are vectorized and the results are presented. Using the continuous equation of incompressible flow as a constraint, the MATHEW calculates the three dimensional wind field by a variational method. Using the particle-in -cell method, the ADPIC calculates the advection and diffusion of radioactive materials in three dimensional wind field and terrain, and gives the concentration of the materials in each cell of the domain. The GAMPUL calculates the external exposure rate assuming Gaussian plume type distribution of concentration. The vectorized code MATHEW attained 7.8 times speedup by a vector processor FACOM230-75 APU. The ADPIC and GAMPUL are estimated to attain 1.5 and 4 times speedup respectively on CRAY-1 type vector processor. (author)

Quantitative one-dimensional thermal-wave cavity measurements of fluid thermophysical properties through equivalence studies with three-dimensional geometries

International Nuclear Information System (INIS)

Matvienko, Anna; Mandelis, Andreas

2006-01-01

The thermal-wave field in a photopyroelectric thermal-wave cavity was calculated with two theoretical approaches: a computationally straightforward, conventional, one-dimensional approach and a three-dimensional experimentally more realistic approach. The calculations show that the dimensionality of the thermal-wave field in the cavity depends on the lateral heat transfer boundary conditions and the relation between the beam size of the laser impinging on the thermal-wave generating metallic film and the diameter of the film itself. The theoretical calculations and the experimental data on the photopyroelectric signal in the cavity were compared. The study resulted in identifying ranges of heat transfer rates, beam sizes, and cavity radii for which accurate quantitative measurements of the thermal diffusivity of intracavity fluids can be made within the far simpler, but only approximate, one-dimensional approach conventionally adopted by users of thermal-wave cavities. It was shown that the major parameters affecting the dimensionality of thermal-wave cavities are the laser beam spot size and the Biot number of the medium comprising the sidewalls of the (cylindrical) cavity

Lowest vibrational states of 4He3He+: Non-Born-Oppenheimer calculations

International Nuclear Information System (INIS)

Stanke, Monika; Bubin, Sergiy; Kedziera, Dariusz; Molski, Marcin; Adamowicz, Ludwik

2007-01-01

Very accurate quantum mechanical calculations of the first five vibrational states of the 4 He 3 He + molecular ion are reported. The calculations have been performed explicitly including the coupling of the electronic and nuclear motions [i.e., without assuming the Born-Oppenheimer (BO) approximation]. The nonrelativistic non-BO wave functions were used to calculate the α 2 relativistic mass velocity, Darwin, and spin-spin interaction corrections. For the lowest vibrational transition, whose experimental energy is established with high precision, the calculated and the experimental results differ by only 0.16 cm -1

One-Dimensional Convective Thermal Evolution Calculation Using a Modified Mixing Length Theory: Application to Saturnian Icy Satellites

Science.gov (United States)

Kamata, Shunichi

2018-01-01

Solid-state thermal convection plays a major role in the thermal evolution of solid planetary bodies. Solving the equation system for thermal evolution considering convection requires 2-D or 3-D modeling, resulting in large calculation costs. A 1-D calculation scheme based on mixing length theory (MLT) requires a much lower calculation cost and is suitable for parameter studies. A major concern for the MLT scheme is its accuracy due to a lack of detailed comparisons with higher dimensional schemes. In this study, I quantify its accuracy via comparisons of thermal profiles obtained by 1-D MLT and 3-D numerical schemes. To improve the accuracy, I propose a new definition of the mixing length (l), which is a parameter controlling the efficiency of heat transportation due to convection, for a bottom-heated convective layer. Adopting this new definition of l, I investigate the thermal evolution of Saturnian icy satellites, Dione and Enceladus, under a wide variety of parameter conditions. Calculation results indicate that each satellite requires several tens of GW of heat to possess a thick global subsurface ocean suggested from geophysical analyses. Dynamical tides may be able to account for such an amount of heat, though the reference viscosity of Dione's ice and the ammonia content of Dione's ocean need to be very high. Otherwise, a thick global ocean in Dione cannot be maintained, implying that its shell is not in a minimum stress state.

Application of WIMSD-4 for ''MARIA'' reactor lattice calculations

International Nuclear Information System (INIS)

Andrzejewski, K.; Kulikowska, T.

1993-12-01

A general description of the WIMSD-4 lattice code is given with the emphasis on available geometrical models. The difficulties encountered while modelling reactor lattices with the tubular type fuel elements are explained. Then the analysis of code options allowing to overcome these difficulties is carried out. Eventually, recommendations of options and input parameters for calculations of MARIA reactor lattice with satisfactory accuracy are given. During the work a set of modifications had to be introduced leading to a new code version called WIMS-S. Another version, under the name WIMS-T has been developed to allow for burnup calculations of the MARIA reactor lattice with improved resonance approach. (author). 14 refs, 6 figs, 10 tabs

Two-dimensional impurity transport calculations for a high recycling divertor

International Nuclear Information System (INIS)

Brooks, J.N.

1986-04-01

Two dimensional analysis of impurity transport in a high recycling divertor shows asymmetric particle fluxes to the divertor plate, low helium pumping efficiency, and high scrapeoff zone shielding for sputtered impurities

Scattering amplitudes in four- and six-dimensional gauge theories

International Nuclear Information System (INIS)

Schuster, Theodor

2014-01-01

We study scattering amplitudes in quantum chromodynamics (QCD), N=4 super Yang-Mills (SYM) theory and the six-dimensional N=(1,1) SYM theory, focusing on the symmetries of and relations between the tree-level scattering amplitudes in these three gauge theories. We derive the tree level and one-loop color decomposition of an arbitrary QCD amplitude into primitive amplitudes. Furthermore, we derive identities spanning the null space among the primitive amplitudes. We prove that every color ordered tree amplitude of massless QCD can be obtained from gluon-gluino amplitudes of N=4 SYM theory. Furthermore, we derive analytical formulae for all gluon-gluino amplitudes relevant for QCD. We compare the numerical efficiency and accuracy of evaluating these closed analytic formulae for color ordered QCD tree amplitudes to a numerically efficient implementation of the Berends-Giele recursion. We derive the symmetries of massive tree amplitudes on the coulomb branch of N=4 SYM theory, which in turn can be obtained from N=(1,1) SYM theory by dimensional reduction. Furthermore, we investigate the tree amplitudes of N=(1, 1) SYM theory and explain how analytical formulae can be obtained from a numerical implementation of the supersymmetric BCFW recursion relation and investigate a potential uplift of the massless tree amplitudes of N=4 SYM theory. Finally we study an alternative to dimensional regularization of N=4 SYM theory. The infrared divergences are regulated by masses obtained from a Higgs mechanism. The corresponding string theory set-up suggests that the amplitudes have an exact dual conformal symmetry. We confirm this expectation and illustrate the calculational advantages of the massive regulator by explicit calculations.

First-principle calculations on the structural and electronic properties of hard C11N4

International Nuclear Information System (INIS)

Li, Dongxu; Shi, Jiancheng; Lai, Mengling; Li, Rongkai; Yu, Dongli

2014-01-01

A graphite-like C 11 N 4 model was built by stacking graphene and a C 3 N 4 triazine layer and simulated by first principle calculations, which transfers to a diamond-like structure under high pressure. The structural, mechanical, and electronic properties of both materials were calculated. The elastic constants of both materials satisfy the Born-criterion. Furthermore, no imaginary frequencies were observed in phonon calculations. The diamond-like C 11 N 4 is semiconducting and consists of polyhedral and hollow C–N cages. The Vickers hardness of diamond-like C 11 N 4 was calculated to be 58 GPa. The phase transformation from graphite-like to diamond-like C 11 N 4 is proposed to occur at approximately 27.2 GPa based on the pressure-dependent enthalpy

Development of three-dimensional nuclear design program for large fast breeder reactor

International Nuclear Information System (INIS)

Inoue, Kohtaro

1987-01-01

The report describes a calculation program for core design, called HICOM, and its calculation accuracy. HICOM is designed for three-dimensional neutron diffusion calculation and combustion calculation for large fast breeder reactors to be conducted according to a control rod plan and fuel replacement plan. The improved coarse mesh technique is applied to neutron diffusion calculation. It is demostrated that HICOM permits rapid and accurate operation. For the evaluation of the applicability of HICOM, three-dimensional six-group neutron diffusion calculation is conducted for a 1,000 MWe axial heterogeneous FBR core. Results demonstrate that the program can perform numerical calculation in a time period shorter than 1-40 that for calculation by CITATION (triangle mesh method). This is achieved by using the improved coarse mesh method and carrying out the operation by a vectorial procedure. For the evaluation of the nuclear calculation accuracy of HICOM, analysis is made of reactivity, output distribution and B 4 C control rod worth emasured in an FCA criticality experiment carried out by the Japan Atomic Energy Research Institute. Calculations are found to agree with measurements within a permissible error. The same level of calculation accuracy is obtained for homogneous core, axial heterogeneous core and cores with internal blankets with different forms. (Nogami, K.)

Mass spectrum of the two dimensional lambdaphi4-1/4phi2-μphi quantum field model

International Nuclear Information System (INIS)

Imbrie, J.Z.

1980-01-01

It is shown that r-particle irreducible kernels in the two-dimensional lambdaphi 4 -1/4phi 2 -μphi quantum field theory have (r+1)-particle decay for vertical stroke μ vertical stroke 2 << 1. As a consequence there is an upper mass gap and, in the subspace of two-particle states, a bound state. The proof extends Spencer's expansion to handle fluctuations between the two wells of the classical potential. A new method for resumming the low temperature cluster expansion is introduced. (orig.)

Comparison of inverse dynamics calculated by two- and three-dimensional models during walking

DEFF Research Database (Denmark)

Alkjaer, T; Simonsen, E B; Dyhre-Poulsen, P

2001-01-01

recorded the subjects as they walked across two force plates. The subjects were invited to approach a walking speed of 4.5 km/h. The ankle, knee and hip joint moments in the sagittal plane were calculated by 2D and 3D inverse dynamics analysis and compared. Despite the uniform walking speed (4.53 km....../h) and similar footwear, relatively large inter-individual variations were found in the joint moment patterns during the stance phase. The differences between individuals were present in both the 2D and 3D analysis. For the entire sample of subjects the overall time course pattern of the ankle, knee and hip...... the magnitude of the joint moments calculated by 2D and 3D inverse dynamics but the inter-individual variation was not affected by the different models. The simpler 2D model seems therefore appropriate for human gait analysis. However, comparisons of gait data from different studies are problematic...

Finite-dimensional effects and critical indices of one-dimensional quantum models

International Nuclear Information System (INIS)

Bogolyubov, N.M.; Izergin, A.G.; Reshetikhin, N.Yu.

1986-01-01

Critical indices, depending on continuous parameters in Bose-gas quantum models and Heisenberg 1/2 spin antiferromagnetic in two-dimensional space-time at zero temperature, have been calculated by means of finite-dimensional effects. In this case the long-wave asymptotics of the correlation functions is of a power character. Derivation of man asymptotics terms is reduced to the determination of a central charge in the appropriate Virassoro algebra representation and the anomalous dimension-operator spectrum in this representation. The finite-dimensional effects allow to find these values

The Albedo method for tri-dimensional calculations of fast reactors, with application to PEC

International Nuclear Information System (INIS)

Bianchini, G.; Loizzo, P.

1983-01-01

The Pec core simulator computer code, being now defined at Enea, is a relatively simple and inexpensive calculational model used by the reactor operator to derive the core life and the single subassemblies power and sodium flow. The diffusion module of this code will be based on the neutronic design code Citation. Here are outlined the theoretical foundations and the procedures to reduce the tri-dimensional diffusion computer time by the use of the following approximations: 1) the reactor zones far from the core are substituted by boundary conditions (albedo method); suitable flux logarithmic derivates are defined; 2) the fuel elements are represented by exagonal meshes; appropriate normalization factors are defined. With respect to the standard design procedures the computer cpu time is reduced from 90 minutes to 2 minutes (Ibm 4341/2). The errors amount to a few mk on the multiplication factor and to a few percent on the power distribution. The approximations (1) and (2) are equally important with respect to the time reduction

Calculation of neutron fluence to dose equivalent conversion coefficients using GEANT4

International Nuclear Information System (INIS)

Ribeiro, Rosane M.; Santos, Denison de S.; Queiroz Filho, Pedro P. de; Mauricio, CLaudia L.P.; Silva, Livia K. da; Pessanha, Paula R.

2014-01-01

Fluence to dose equivalent conversion coefficients provide the basis for the calculation of area and personal monitors. Recently, the ICRP has started a revision of these coefficients, including new Monte Carlo codes for benchmarking. So far, little information is available about neutron transport below 10 MeV in tissue-equivalent (TE) material performed with Monte Carlo GEANT4 code. The objective of this work is to calculate neutron fluence to personal dose equivalent conversion coefficients, H p (10)/Φ, with GEANT4 code. The incidence of monoenergetic neutrons was simulated as an expanded and aligned field, with energies ranging between thermal neutrons to 10 MeV on the ICRU slab of dimension 30 x 30 x 15 cm 3 , composed of 76.2% of oxygen, 10.1% of hydrogen, 11.1% of carbon and 2.6% of nitrogen. For all incident energy, a cylindrical sensitive volume is placed at a depth of 10 mm, in the largest surface of the slab (30 x 30 cm 2 ). Physic process are included for neutrons, photons and charged particles, and calculations are made for neutrons and secondary particles which reach the sensitive volume. Results obtained are thus compared with values published in ICRP 74. Neutron fluence in the sensitive volume was calculated for benchmarking. The Monte Carlo GEANT4 code was found to be appropriate to calculate neutron doses at energies below 10 MeV correctly. (author)

An anomalous subauroral red arc on 4 August, 1972: comparison of ISIS-2 satellite data with numerical calculations

Directory of Open Access Journals (Sweden)

V. V. Lobzin

1999-11-01

Full Text Available This study compares the Isis II satellite measurements of the electron density and temperature, the integral airglow intensity and volume emission rate at 630 nm in the SAR arc region, observed at dusk on 4 August, 1972, in the Southern Hemisphere, during the main phase of the geomagnetic storm. The model results were obtained using the time dependent one-dimensional mathematical model of the Earth's ionosphere and plasmasphere (the IZMIRAN model. The major enhancement to the IZMIRAN model developed in this study to explain the two component 630 nm emission observed is the analytical yield spectrum approach to calculate the fluxes of precipitating electrons and the additional production rates of N+2, O+2, O+(4S, O+(2D, O–(2P, and O+(2P ions, and O(1D in the SAR arc regions in the Northern and Southern Hemispheres. In order to bring the measured and modelled electron temperatures into agreement, the additional heating electron rate of 1.05 eV cm–3 s–1 was added in the energy balance equation of electrons at altitudes above 5000 km during the main phase of the geomagnetic storm. This additional heating electron rate determines the thermally excited 630 nm emission observed. The IZMIRAN model calculates a 630 nm integral intensity above 350 km of 4.1 kR and a total 630 nm integral intensity of 8.1 kR, values which are slightly lower compared to the observed 4.7 kR and 10.6 kR. We conclude that the 630 nm emission observed can be explained considering both the soft energy electron excited component and the thermally excited component. It is found that the inclusion of N2(v > 0 and O2(v > 0 in the calculations of the O+(4S loss rate improves the agreement between the calculated Ne and the data on 4 August, 1972. The  N2(v > 0 and O2(v > 0 effects are enough to explain the electron density depression in the SAR arc F-region and above F2 peak altitude. Our calculations show that the increase in the O++N2 rate factor due to the vibrationally

A two-dimensional bilayered Cd(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1,2-bis(pyridin-4-yl)ethene and 2,2'-(diazenediyl)dibenzoic acid.

Science.gov (United States)

Liu, Lei-Lei; Zhou, Yan; Li, Ping; Tian, Jiang-Ya

2014-02-01

In poly[[μ2-1,2-bis(pyridin-4-yl)ethene-κ(2)N:N'][μ2-2,2'-(diazenediyl)dibenzoato-κ(3)O,O':O'']cadmium(II)], [Cd(C14H8N2O4)(C12H10N2)]n, the asymmetric unit contains one Cd(II) cation, one 2,2'-(diazenediyl)dibenzoate anion (denoted L(2-)) and one 1,2-bis(pyridin-4-yl)ethene ligand (denoted bpe). Each Cd(II) centre is six-coordinated by four O atoms of bridging/chelating carboxylate groups from three L(2-) ligands and by two N atoms from two bpe ligands, forming a distorted octahedron. The Cd(II) cations are bridged by L(2-) and bpe ligands to give a two-dimensional (4,4) layer. The layers are interlinked through bridging carboxylate O atoms from L(2-) ligands, generating a two-dimensional bilayered structure with a 3(6)4(13)6(2) topology. The bilayered structures are further extended to form a three-dimensional supramolecular architecture via a combination of hydrogen-bonding and aromatic stacking interactions.

Three-dimensional plasma equilibrium near a separatrix

International Nuclear Information System (INIS)

Reiman, A.H.; Pomphrey, N.; Boozer, A.H.

1988-08-01

The limiting behavior of a general three-dimensional MHD equilibrium near a separatrix is calculated explicitly. No expansions in β or assumptions about island widths are made. Implications of the results for the numerical calculation of such equilibria, are discussed, as well as for issues concerning the existence of three-dimensional MHD equilibria. 16 refs., 2 figs

Cone-Beam Computed Tomography Internal Motion Tracking Should Be Used to Validate 4-Dimensional Computed Tomography for Abdominal Radiation Therapy Patients

Energy Technology Data Exchange (ETDEWEB)

Rankine, Leith; Wan, Hanlin; Parikh, Parag; Maughan, Nichole [Department of Radiation Oncology, Washington University School of Medicine, St. Louis, Missouri (United States); Poulsen, Per [Department of Oncology, Aarhus University Hospital, Aarhus (Denmark); DeWees, Todd; Klein, Eric [Department of Radiation Oncology, Washington University School of Medicine, St. Louis, Missouri (United States); Santanam, Lakshmi, E-mail: lsantanam@radonc.wustl.edu [Department of Radiation Oncology, Washington University School of Medicine, St. Louis, Missouri (United States)

2016-06-01

Purpose: To demonstrate that fiducial tracking during pretreatment Cone-Beam CT (CBCT) can accurately measure tumor motion and that this method should be used to validate 4-dimensional CT (4DCT) margins before each treatment fraction. Methods and Materials: For 31 patients with abdominal tumors and implanted fiducial markers, tumor motion was measured daily with CBCT and fluoroscopy for 202 treatment fractions. Fiducial tracking and maximum-likelihood algorithms extracted 3-dimensional fiducial trajectories from CBCT projections. The daily internal margin (IM) (ie, range of fiducial motion) was calculated for CBCT and fluoroscopy as the 5th-95th percentiles of displacement in each cardinal direction. The planning IM from simulation 4DCT (IM{sub 4DCT}) was considered adequate when within ±1.2 mm (anterior–posterior, left–right) and ±3 mm (superior–inferior) of the daily measured IM. We validated CBCT fiducial tracking as an accurate predictive measure of intrafraction motion by comparing the daily measured IM{sub CBCT} with the daily IM measured by pretreatment fluoroscopy (IM{sub pre-fluoro}); these were compared with pre- and posttreatment fluoroscopy (IM{sub fluoro}) to identify those patients who could benefit from imaging during treatment. Results: Four-dimensional CT could not accurately predict intrafractional tumor motion for ≥80% of fractions in 94% (IM{sub CBCT}), 97% (IM{sub pre-fluoro}), and 100% (IM{sub fluoro}) of patients. The IM{sub CBCT} was significantly closer to IM{sub pre-fluoro} than IM{sub 4DCT} (P<.01). For patients with median treatment time t < 7.5 minutes, IM{sub CBCT} was in agreement with IM{sub fluoro} for 93% of fractions (superior–inferior), compared with 63% for the t > 7.5 minutes group, demonstrating the need for patient-specific intratreatment imaging. Conclusions: Tumor motion determined from 4DCT simulation does not accurately predict the daily motion observed on CBCT or fluoroscopy. Cone-beam CT could

Comparison of EGS4 and MCNP Monte Carlo codes when calculating radiotherapy depth doses.

Science.gov (United States)

Love, P A; Lewis, D G; Al-Affan, I A; Smith, C W

1998-05-01

The Monte Carlo codes EGS4 and MCNP have been compared when calculating radiotherapy depth doses in water. The aims of the work were to study (i) the differences between calculated depth doses in water for a range of monoenergetic photon energies and (ii) the relative efficiency of the two codes for different electron transport energy cut-offs. The depth doses from the two codes agree with each other within the statistical uncertainties of the calculations (1-2%). The relative depth doses also agree with data tabulated in the British Journal of Radiology Supplement 25. A discrepancy in the dose build-up region may by attributed to the different electron transport algorithims used by EGS4 and MCNP. This discrepancy is considerably reduced when the improved electron transport routines are used in the latest (4B) version of MCNP. Timing calculations show that EGS4 is at least 50% faster than MCNP for the geometries used in the simulations.

An off-shell superspace reformulation of D = 4, N = 4 super-Yang-Mills theory

Energy Technology Data Exchange (ETDEWEB)

Cederwall, Martin [Division for Theoretical Physics, Department of Physics, Chalmers University of Technology, Gothenburg (Sweden)

2018-01-15

D = 4, N = 4 super-Yang-Mills theory has an off-shell superspace formulation in terms of pure spinor superfields, which is directly inherited from the D = 10 theory. That superspace, in particular the choice of pure spinor variables, is less suitable for dealing with fields that are inherently 4-dimensional, such as the superfields based on the scalars, which are gauge-covariant, and traces of powers of scalars, which are gauge-invariant. We give a reformulation of D = 4, N = 4 super-Yang-Mills theory in N = 4 superspace, using inherently 4-dimensional pure spinors. All local degrees of freedom reside in a superfield based on the physical scalars. The formalism should be suited for calculations of correlators of traces of scalar superfields. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Coupling reducing k-points for supercell models of defects in three-dimensional photonic crystals

DEFF Research Database (Denmark)

Lægsgaard, Jesper; Bjarklev, Anders Overgaard

2004-01-01

The optimum choice of k-point for supercell calculations of defect states in a three-dimensional photonic crystal is investigated for the case of a supercell with a simple cubic (SC) structure. By using the k-point (1/4,1/4,1/4) it is possible to eliminate the symmetric part of the repeated...

Criticality Analysis Of TCA Critical Lattices With MNCP-4C Monte Carlo Calculation

International Nuclear Information System (INIS)

Zuhair

2002-01-01

The use of uranium-plutonium mixed oxide (MOX) fuel in electric generation light water reactor (PWR, BWR) is being planned in Japan. Therefore, the accuracy evaluations of neutronic analysis code for MOX cores have been employed by many scientists and reactor physicists. Benchmark evaluations for TCA was done using various calculation methods. The Monte Carlo become the most reliable method to predict criticality of various reactor types. In this analysis, the MCNP-4C code was chosen because various superiorities the code has. All in all, the MCNP-4C calculation for TCA core with 38 MOX critical lattice configurations gave the results with high accuracy. The JENDL-3.2 library showed significantly closer results to the ENDF/B-V. The k eff values calculated with the ENDF/B-VI library gave underestimated results. The ENDF/B-V library gave the best estimation. It can be concluded that MCNP-4C calculation, especially with ENDF/B-V and JENDL-3.2 libraries, for MOX fuel utilized NPP design in reactor core is the best choice

Effect of TIPS placement on portal and splanchnic arterial blood flow in 4-dimensional flow MRI

Energy Technology Data Exchange (ETDEWEB)

Stankovic, Zoran [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); University Medical Center Freiburg, Department of Diagnostic Radiology and Medical Physics, Freiburg (Germany); Roessle, Martin; Schultheiss, Michael [University Medical Center Freiburg, Department of Gastroenterology, Freiburg (Germany); Euringer, Wulf; Langer, Mathias [University Medical Center Freiburg, Department of Diagnostic Radiology and Medical Physics, Freiburg (Germany); Salem, Riad; Barker, Alex; Carr, James; Collins, Jeremy D. [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); Markl, Michael [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); Northwestern University, Department of Biomedical Engineering, McCormick School of Engineering, Chicago, IL (United States)

2015-09-15

To assess changes in portal and splanchnic arterial haemodynamics in patients undergoing transjugular intrahepatic portosystemic shunt (TIPS) using four-dimensional (4D) flow MRI, a non-invasive, non-contrast imaging technique. Eleven patients undergoing TIPS implantation were enrolled. K-t GRAPPA accelerated non-contrast 4D flow MRI of the liver vasculature was applied with acceleration factor R = 5 at 3Tesla. Flow analysis included three-dimensional (3D) blood flow visualization using time-resolved 3D particle traces and semi-quantitative flow pattern grading. Quantitative evaluation entailed peak velocities and net flows throughout the arterial and portal venous (PV) systems. MRI measurements were taken within 24 h before and 4 weeks after TIPS placement. Three-dimensional flow visualization with 4D flow MRI revealed good image quality with minor limitations in PV flow. Quantitative analysis revealed a significant increase in PV flow (562 ± 373 ml/min before vs. 1831 ± 965 ml/min after TIPS), in the hepatic artery (176 ± 132 ml/min vs. 354 ± 140 ml/min) and combined flow in splenic and superior mesenteric arteries (770 ml/min vs. 1064 ml/min). Shunt-flow assessment demonstrated stenoses in two patients confirmed and treated at TIPS revision. Four-dimensional flow MRI might have the potential to give new information about the effect of TIPS placement on hepatic perfusion. It may explain some unexpected findings in clinical observation studies. (orig.)

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.

Science.gov (United States)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Molecular behavior of zero-dimensional perovskites

KAUST Repository

Yin, Jun

2017-12-16

Low-dimensional perovskites offer a rare opportunity to investigate lattice dynamics and charge carrier behavior in bulk quantum-confined solids, in addition to them being the leading materials in optoelectronic applications. In particular, zero-dimensional (0D) inorganic perovskites of the Cs4PbX6 (X = Cl, Br, or I) kind have crystal structures with isolated lead halide octahedra [PbX6]4− surrounded by Cs+ cations, allowing the 0D crystals to exhibit the intrinsic properties of an individual octahedron. Using both experimental and theoretical approaches, we studied the electronic and optical properties of the prototypical 0D perovskite Cs4PbBr6. Our results underline that this 0D perovskite behaves akin to a molecule, demonstrating low electrical conductivity and mobility as well as large polaron binding energy. Density functional theory calculations and transient absorption measurements of Cs4PbBr6 perovskite films reveal the polaron band absorption and strong polaron localization features of the material. A short polaron lifetime of ~2 ps is observed in femtosecond transient absorption experiments, which can be attributed to the fast lattice relaxation of the octahedra and the weak interactions among them.

Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxyacetic acid and (4-chloro-2-methylphenoxyacetic acid

Directory of Open Access Journals (Sweden)

Graham Smith

2014-12-01

Full Text Available The structures of the ammonium salts of phenoxyacetic acid, NH4+·C8H6O3−, (I, (4-fluorophenoxyacetic acid, NH4+·C8H5FO3−, (II, and the herbicidally active (4-chloro-2-methylphenoxyacetic acid (MCPA, NH4+·C9H8ClO3−·0.5H2O, (III have been determined. All have two-dimensional layered structures based on inter-species ammonium N—H...O hydrogen-bonding associations, which give core substructures consisting primarily of conjoined cyclic motifs. The crystals of (I and (II are isomorphous with the core comprising R12(5, R12(4 and centrosymmetric R42(8 ring motifs, giving two-dimensional layers lying parallel to (100. In (III, the water molecule of solvation lies on a crystallographic twofold rotation axis and bridges two carboxyl O atoms in an R44(12 hydrogen-bonded motif, creating two R43(10 rings, which together with a conjoined centrosymmetric R42(8 ring incorporating both ammonium cations, generate two-dimensional layers lying parallel to (100. No π–π ring associations are present in any of the structures.

Calculations of flow oscillations during reflood using RELAP4/MOD6

International Nuclear Information System (INIS)

Chen, Y.S.; Fischer, S.R.; Sullivan, L.H.

1979-01-01

RELAP4/MOD6 is an analytical computer code which can be used for best-estimate analysis of LWR reactor system blowdown and reflood response to a postulated LOCA. In this study, flow oscillations in the PKL reflood test K5A were investigated using RELAP4/MOD6. Both calculated and measured oscillations exhibited transient characteristics of density-wave and pressure-drop oscillations. The calculated average core mixture level rising rate agrees closely with the test data. Several mechanisms which appear to be responsible for initiation and continuation of calculated or experimental reflood flow oscillations are (a) the coupling between the vapor generation in the core channel and the U-tube geometrical arrangement of a downcomer and a heated core; (b) the inherent low core inlet resistance and the high system outlet resistance; (c) the dependence of heat transfer rate on mass flow rate especially in the dispersed flow ially in the dispersed flow regime; (d) the amount of the liquid entrainment fraction of the heated core channel

Yb5Ni4Sn10 and Yb7Ni4Sn13: New polar intermetallics with 3D framework structures

International Nuclear Information System (INIS)

Lei Xiaowu; Sun Zhongming; Li Longhua; Zhong Guohua; Hu Chunli; Mao Jianggao

2010-01-01

The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction studies. Yb 5 Ni 4 Sn 10 adopts the Sc 5 Co 4 Si 10 structure type and crystallizes in the tetragonal space group P4/mbm (No. 127) with cell parameters of a=13.785(4) A, c=4.492 (2) A, V=853.7(5) A 3 , and Z=2. Yb 7 Ni 4 Sn 13 is isostructural with Yb 7 Co 4 InGe 12 and crystallizes in the tetragonal space group P4/m (No. 83) with cell parameters of a=11.1429(6) A, c=4.5318(4) A, V=562.69(7) A 3 , and Z=1. Both structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are occupied by the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic. These results are in agreement with those from temperature-dependent resistivity and magnetic susceptibility measurements. - Graphical abstract: Two new ytterbium nickel stannides, namely, Yb 5 Ni 4 Sn 10 and Yb 7 Ni 4 Sn 13 , have been synthesized and structurally characterized by single-crystal X-ray diffraction studies. Both their structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are situated by all the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic, which are in accordance with the results from temperature-dependent resistivity and magnetic susceptibility measurements.

Two-dimensional benchmark calculations for PNL-30 through PNL-35

International Nuclear Information System (INIS)

Mosteller, R.D.

1997-01-01

Interest in critical experiments with lattices of mixed-oxide (MOX) fuel pins has been revived by the possibility that light water reactors will be used for disposition of weapons-grade plutonium. A series of six experiments with MOX lattices, designated PNL-30 through PNL-35, was performed at Pacific Northwest Laboratories in 1975 and 1976, and a set of benchmark specifications for these experiments subsequently was adopted by the Cross Section Evaluation Working Group (CSEWG). Although there appear to be some problems with these experiments, they remain the only CSEWG benchmarks for MOX lattices. The number of fuel pins in these experiments is relatively low, corresponding to fewer than 4 typical pressurized-water-reactor fuel assemblies. Accordingly, they are more appropriate as benchmarks for lattice-physics codes than for reactor-core simulator codes. Unfortunately, the CSEWG specifications retain the full three-dimensional (3D) detail of the experiments, while lattice-physics codes almost universally are limited to two dimensions (2D). This paper proposes an extension of the benchmark specifications to include a 2D model, and it justifies that extension by comparing results from the MCNP Monte Carlo code for the 2D and 3D specifications

The D4-D8 Brane System and Five Dimensional Fixed Points

OpenAIRE

Brandhuber, A; Oz, Y

1999-01-01

We construct dual Type I' string descriptions to five dimensional supersymmetric fixed points with $E_{N_f+1}$ global symmetry. The background is obtained as the near horizon geometry of the D4-D8 brane system in massive Type IIA supergravity. We use the dual description to deduce some properties of the fixed points.

A three-dimensional transient calculation for the reactor model RAMONA using the COMMIX-2(V) code

International Nuclear Information System (INIS)

Weinberg, D.; Frey, H.H.; Tschoeke, H.

1993-01-01

The safety graded decay heat removal system of the European Fast Reactor needs a high availability. This system operates entirely under natural convection. To guarantee a proper design, experiments are carried out to verify thermal-hydraulic computer codes able to predict precisely local temperature loadings of the components and the reactor tank in the transition region from nominal operation under forced convection to the decay heat removal operation. - With the COMMIX-2 (V) code three-dimensional transient calculations have been performed to simulate experiments in the 360 deg. reactor model RAMONA, scaled 1:20 to the reality with water as simulant fluid for sodium. The computed average and local temperatures as well as the velocity distributions show a good agreement with the experimental results. Further efforts are necessary to reduce the computation time. (orig.)

The Learning Impact of a 4-Dimensional Digital Construction Learning Environment

OpenAIRE

Chris Landorf; Stephen Ward

2017-01-01

This paper addresses a virtual environment approach to work integrated learning for students in construction-related disciplines. The virtual approach provides a safe and pedagogically rigorous environment where students can apply theoretical knowledge in a simulated real-world context. The paper describes the development of a 4-dimensional digital construction environment and associated learning activities funded by the Australian Office for Learning and Teaching. The environment was trialle...

Exact and variational calculations of eigenmodes for three-dimensional free electron laser interaction with a warm electron beam

Energy Technology Data Exchange (ETDEWEB)

Xie, M. [Lawrence Berkeley Lab., CA (United States)

1995-12-31

I present an exact calculation of free-electron-laser (FEL) eigenmodes (fundamental as well as higher order modes) in the exponential-gain regime. These eigenmodes specify transverse profiles and exponential growth rates of the laser field, and they are self-consistent solutions of the coupled Maxwell-Vlasov equations describing the FEL interaction taking into account the effects due to energy spread, emittance and betatron oscillations of the electron beam, and diffraction and guiding of the laser field. The unperturbed electron distribution is assumed to be of Gaussian shape in four dimensional transverse phase space and in the energy variable, but uniform in longitudinal coordinate. The focusing of the electron beam is assumed to be matched to the natural wiggler focusing in both transverse planes. With these assumptions the eigenvalue problem can be reduced to a numerically manageable integral equation and solved exactly with a kernel iteration method. An approximate, but more efficient solution of the integral equation is also obtained for the fundamental mode by a variational technique, which is shown to agree well with the exact results. Furthermore, I present a handy formula, obtained from interpolating the numerical results, for a quick calculation of FEL exponential growth rate. Comparisons with simulation code TDA will also be presented. Application of these solutions to the design and multi-dimensional parameter space optimization for an X-ray free electron laser driven by SLAC linac will be demonstrated. In addition, a rigorous analysis of transverse mode degeneracy and hence the transverse coherence of the X-ray FEL will be presented based on the exact solutions of the higher order guided modes.

Magnetic moment, vorticity-spin coupling and parity-odd conductivity of chiral fermions in 4-dimensional Wigner functions

Energy Technology Data Exchange (ETDEWEB)

Gao, Jian-hua [Shandong Provincial Key Laboratory of Optical Astronomy and Solar-Terrestrial Environment, Institute of Space Sciences, Shandong University, Weihai, Shandong 264209 (China); Wang, Qun, E-mail: qunwang@ustc.edu.cn [Interdisciplinary Center for Theoretical Study and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Physics Department, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States)

2015-10-07

We demonstrate the emergence of the magnetic moment and spin-vorticity coupling of chiral fermions in 4-dimensional Wigner functions. In linear response theory with space–time varying electromagnetic fields, the parity-odd part of the electric conductivity can also be derived which reproduces results of the one-loop and the hard-thermal or hard-dense loop. All these properties show that the 4-dimensional Wigner functions capture comprehensive aspects of physics for chiral fermions in electromagnetic fields.

Two-dimensional shielding benchmarks for iron at YAYOI, (1)

International Nuclear Information System (INIS)

Oka, Yoshiaki; An, Shigehiro; Kasai, Shigeru; Miyasaka, Shun-ichi; Koyama, Kinji.

The aim of this work is to assess the collapsed neutron and gamma multigroup cross sections for two dimensional discrete ordinate transport code. Two dimensional distributions of neutron flux and gamma ray dose through a 70cm thick and 94cm square iron shield were measured at the fast neutron source reactor ''YAYOI''. The iron shield was placed over the lead reflector in the vertical experimental column surrounded by heavy concrete wall. The detectors used in this experiment were threshold detectors In, Ni, Al, Mg, Fe and Zn, sandwitch resonance detectors Au, W and Co, activation foils Au for neutrons and thermoluminescence detectors for gamma ray dose. The experimental results were compared with the calculated ones by the discrete ordinate transport code ANISN and TWOTRAN. The region-wise, coupled neutron-gamma multigroup cross-sections (100n+20gamma, EURLIB structure) were generated from ENDF/B-IV library for neutrons and POPOP4 library for gamma-ray production cross-sections by using the code system RADHEAT. The effective microscopic neutron cross sections were obtained from the infinite dilution values applying ABBN type self-shielding factors. The gamma ray production multigroup cross-sections were calculated from these effective microscopic neutron cross-sections. For two-dimensional calculations the group constants were collapsed into 10 neutron groups and 3 gamma groups by using ANISN. (auth.)

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

International Nuclear Information System (INIS)

Yu Mingrui; Han Weishi; Wang Ge

2014-01-01

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

MOSRA-Light; high speed three-dimensional nodal diffusion code for vector computers

Energy Technology Data Exchange (ETDEWEB)

Okumura, Keisuke [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1998-10-01

MOSRA-Light is a three-dimensional neutron diffusion calculation code for X-Y-Z geometry. It is based on the 4th order polynomial nodal expansion method (NEM). As the 4th order NEM is not sensitive to mesh sizes, accurate calculation is possible by the use of coarse meshes of about 20 cm. The drastic decrease of number of unknowns in a 3-dimensional problem results in very fast computation. Furthermore, it employs newly developed computation algorithm `boundary separated checkerboard sweep method` appropriate to vector computers. This method is very efficient because the speedup factor by vectorization increases, as a scale of problem becomes larger. Speed-up factor compared to the scalar calculation is from 20 to 40 in the case of PWR core calculation. Considering the both effects by the vectorization and the coarse mesh method, total speedup factor is more than 1000 as compared with conventional scalar code with the finite difference method. MOSRA-Light can be available on most of vector or scalar computers with the UNIX or it`s similar operating systems (e.g. freeware like Linux). Users can easily install it by the help of the conversation style installer. This report contains the general theory of NEM, the fast computation algorithm, benchmark calculation results and detailed information for usage of this code including input data instructions and sample input data. (author)

MOSRA-Light; high speed three-dimensional nodal diffusion code for vector computers

International Nuclear Information System (INIS)

Okumura, Keisuke

1998-10-01

MOSRA-Light is a three-dimensional neutron diffusion calculation code for X-Y-Z geometry. It is based on the 4th order polynomial nodal expansion method (NEM). As the 4th order NEM is not sensitive to mesh sizes, accurate calculation is possible by the use of coarse meshes of about 20 cm. The drastic decrease of number of unknowns in a 3-dimensional problem results in very fast computation. Furthermore, it employs newly developed computation algorithm 'boundary separated checkerboard sweep method' appropriate to vector computers. This method is very efficient because the speedup factor by vectorization increases, as a scale of problem becomes larger. Speed-up factor compared to the scalar calculation is from 20 to 40 in the case of PWR core calculation. Considering the both effects by the vectorization and the coarse mesh method, total speedup factor is more than 1000 as compared with conventional scalar code with the finite difference method. MOSRA-Light can be available on most of vector or scalar computers with the UNIX or it's similar operating systems (e.g. freeware like Linux). Users can easily install it by the help of the conversation style installer. This report contains the general theory of NEM, the fast computation algorithm, benchmark calculation results and detailed information for usage of this code including input data instructions and sample input data. (author)

Supplementary neutron flux calculations for the ORNL pool critical assembly pressure vessel facility

Energy Technology Data Exchange (ETDEWEB)

Maerker, R.E.; Maudlin, P.J.

1981-02-01

A three-dimensional Monte Carlo calculation was performed to estimate the neutron flux in the 8/7 configuration of the ORNL Pool Critical Assembly Pressure Vessel Facility. The calculational tool was the multigroup transport code MORSE operated in the adjoint mode. The MORSE flux results compared well with those using a previously adopted procedure for constructing a three-dimensional flux from one- and two-dimensional discrete ordinates calculations using the DOT-IV code. This study concluded that use of these discrete ordinates constructions in previous calculations is sufficiently accurate and does not account for the existing discrepancies between calculation and experiment.

Supplementary neutron flux calculations for the ORNL pool critical assembly pressure vessel facility

International Nuclear Information System (INIS)

Maerker, R.E.; Maudlin, P.J.

1981-02-01

A three-dimensional Monte Carlo calculation was performed to estimate the neutron flux in the 8/7 configuration of the ORNL Pool Critical Assembly Pressure Vessel Facility. The calculational tool was the multigroup transport code MORSE operated in the adjoint mode. The MORSE flux results compared well with those using a previously adopted procedure for constructing a three-dimensional flux from one- and two-dimensional discrete ordinates calculations using the DOT-IV code. This study concluded that use of these discrete ordinates constructions in previous calculations is sufficiently accurate and does not account for the existing discrepancies between calculation and experiment

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

International Nuclear Information System (INIS)

Chen, Y.; Fischer, U.

2005-01-01

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

Two dimensional (4,0) supergravity in harmonic superspace. The action and the matter couplings

International Nuclear Information System (INIS)

Lhallabi, T.; Saidi, E.H.

1988-08-01

The superfield formulation of the two dimensional (4,0) supergravity is developed using the harmonic superspace techniques. The different sets of constraints are given and their solutions are expressed in terms of a SU(2) self dual torsion superfield and harmonic prepotentials. The pure auxiliary (4,0) Einstein action generalizing the (2,0) one is written down and the most general (4,0) matter couplings are given. (author). 24 refs

Three-dimensional viewing and dosimetric calculations of Au-198 implants of the prostate

International Nuclear Information System (INIS)

Avizonis, V.N.; Anderson, K.M.; Jani, S.K.; Hussey, D.H.

1991-01-01

Dose gradients for brachytherapy vary considerably in three dimensions, which complicates conventional two-dimensional dosimetry. Recent developments in computer graphics technology have enabled visualization of anatomy and radiation doses in three dimensions. The objective of this paper is to develop a three-dimensional viewing and dosimetry program for brachytherapy and to test this system in phantoms and in patients undergoing Au-198 implants in the prostate. Three-dimensional computer algorithms for the author's Silicon Graphics supercomputing workstation were developed, tested, and modified on the basis of studies in phantoms and patients. Studies were performed on phantoms of known dimensions and gold seeds in known locations to assess the accuracy of volume reconstruction, seed placement, and isodose distribution. Isodose curves generated with the three-dimensional system were compared with those generated by a Theratronics Treatment Planning Computer using conventional methods. Twenty patients with permanent Au-198 interstitial implants in the prostate were similarly studied

Magnetic moment, vorticity-spin coupling and parity-odd conductivity of chiral fermions in 4-dimensional Wigner functions

Directory of Open Access Journals (Sweden)

Jian-hua Gao

2015-10-01

Full Text Available We demonstrate the emergence of the magnetic moment and spin-vorticity coupling of chiral fermions in 4-dimensional Wigner functions. In linear response theory with space–time varying electromagnetic fields, the parity-odd part of the electric conductivity can also be derived which reproduces results of the one-loop and the hard-thermal or hard-dense loop. All these properties show that the 4-dimensional Wigner functions capture comprehensive aspects of physics for chiral fermions in electromagnetic fields.

Determination of Scaled Wind Turbine Rotor Characteristics from Three Dimensional RANS Calculations

International Nuclear Information System (INIS)

Burmester, S; Gueydon, S; Make, M

2016-01-01

Previous studies have shown the importance of 3D effects when calculating the performance characteristics of a scaled down turbine rotor [1-4]. In this paper the results of 3D RANS (Reynolds-Averaged Navier-Stokes) computations by Make and Vaz [1] are taken to calculate 2D lift and drag coefficients. These coefficients are assigned to FAST (Blade Element Momentum Theory (BEMT) tool from NREL) as input parameters. Then, the rotor characteristics (power and thrust coefficients) are calculated using BEMT. This coupling of RANS and BEMT was previously applied by other parties and is termed here the RANS-BEMT coupled approach. Here the approach is compared to measurements carried out in a wave basin at MARIN applying Froude scaled wind, and the direct 3D RANS computation. The data of both a model and full scale wind turbine are used for the validation and verification. The flow around a turbine blade at full scale has a more 2D character than the flow properties around a turbine blade at model scale (Make and Vaz [1]). Since BEMT assumes 2D flow behaviour, the results of the RANS-BEMT coupled approach agree better with the results of the CFD (Computational Fluid Dynamics) simulation at full- than at model-scale. (paper)

RGM calculation of scattering in 4He + 6Li system at Eα ≤ 30 MeV

International Nuclear Information System (INIS)

Kozyr', Yu.E.

2005-01-01

One carried out the resonating-group method based calculations using the shell model results of the structural basis of two-particle channels with 2≤A≤8 clusters making possible to describe the experimental data on 6 Li(αα') inelastic scattering at E α = 29.4 MeV. The results within inelastic channels are formed almost without regard to d + 8 Be channels included in the calculation. The calculation overvalues significantly the elastic scattering cross sections, as well as the calculation grounded on the basis A ≤ 4 clusters. 6 Li → 2 H + 4 He direct break-down in the Coulomb field of 4 He incident nucleus may serve as a probable reason of divergences [ru

DFT and two-dimensional correlation analysis methods for evaluating the Pu3+–Pu4+ electronic transition of plutonium-doped zircon

International Nuclear Information System (INIS)

Bian, Liang; Dong, Fa-qin; Song, Mian-xin; Dong, Hai-liang; Li, Wei-Min; Duan, Tao; Xu, Jin-bao; Zhang, Xiao-yan

2015-01-01

Highlights: • Effect of Pu f-shell electron on the electronic property of zircon is calculated via DFT and 2D-CA techniques. • Reasons of Pu f-shell electron influencing on electronic properties are systematically discussed. • Phase transitions are found at two point 2.8 mol% and 7.5 mol%. - Abstract: Understanding how plutonium (Pu) doping affects the crystalline zircon structure is very important for risk management. However, so far, there have been only a very limited number of reports of the quantitative simulation of the effects of the Pu charge and concentration on the phase transition. In this study, we used density functional theory (DFT), virtual crystal approximation (VCA), and two-dimensional correlation analysis (2D-CA) techniques to calculate the origins of the structural and electronic transitions of Zr 1−c Pu c SiO 4 over a wide range of Pu doping concentrations (c = 0–10 mol%). The calculations indicated that the low-angular-momentum Pu-f xy -shell electron excites an inner-shell O-2s 2 orbital to create an oxygen defect (V O-s ) below c = 2.8 mol%. This oxygen defect then captures a low-angular-momentum Zr-5p 6 5s 2 electron to form an sp hybrid orbital, which exhibits a stable phase structure. When c > 2.8 mol%, each accumulated V O-p defect captures a high-angular-momentum Zr-4d z electron and two Si-p z electrons to create delocalized Si 4+ → Si 2+ charge disproportionation. Therefore, we suggest that the optimal amount of Pu cannot exceed 7.5 mol% because of the formation of a mixture of ZrO 8 polyhedral and SiO 4 tetrahedral phases with the orientation (10-1). This study offers new perspective on the development of highly stable zircon-based solid solution materials

Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices.

Science.gov (United States)

Leclerc, Arnaud; Carrington, Tucker

2014-05-07

We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.

Monte Carlo calculations of triton and 4He nuclei with the Reid potential

International Nuclear Information System (INIS)

Lomnitz-Adler, J.; Pandharipande, V.R.; Smith, R.A.

1981-01-01

A Monte Carlo method is developed to calculate the binding energy and density distribution of the 3 H and 4 H nuclei for a variational wave function written as a symmetrized product of correlation operators. The upper bounds obtained with the Reid potential are -6.86 +- 0.08 and -22.9 +- 0.5 MeV respectively. The Coulomb interaction in 4 H is ignored. The calculated density distributions have reasonable radii, but they do not show any dip at the center. (orig.)

Effect of Core Configurations on Burn-Up Calculations For MTR Type Reactors

International Nuclear Information System (INIS)

Hussein, H.M.; Sakr, A.M.; Amin, E.H.

2011-01-01

Three-dimensional burn-up calculations of MTR-type research reactor were performed using different patterns of control rods , to examine their effect on power density and neutron flux distributions throughout the entire core and on the local burn-up distribution. Calculations were performed using the computer codes' package M TR P C system , using the cell calculation transport code WIMS-D4 and the core calculation diffusion code CITVAP. A depletion study was done and the effects on the reactor fuel were studied, then an empirical formula was generated for every fuel element type, to correlate irradiation to burn-up percentage. Keywords: Neutronic Calculations, Burn-Up, MTR-Type Research Reactors, MTR P C Package, Empirical Formula For Fuel Burn-Up.

Efficiency of a bismuth-germanate scintillator: comparison of Monte Carlo calculations with measurements

International Nuclear Information System (INIS)

Hsu, H.H.; Dowdy, E.J.; Estes, G.P.; Lucas, M.C.; Mack, J.M.; Moss, C.E.; Hamm, M.E.

1983-01-01

Monte Carlo calculations of a bismuth-germanate scintillator's efficiency agree closely with experimental measurements. For this comparison, we studied the absolute gamma-ray photopeak efficiency of a scintillator (7.62 cm long by 7.62 cm in diameter) at several gamma-ray energies from 166 to 2615 keV at distances from 0.5 to 152.4 cm. Computer calculations were done in a two-dimensional cylindrical geometry with the Monte Carlo coupled photon-electron code CYLTRAN. For the experiment we measured 11 sources with simple spectra and precisely known strengths. The average deviation between the calculations and the measurements is 3%. Our calculated results also closely agree with recently published calculated results

Validation of SCALE4.4a for Calculation of Xe-Sm Transients After a Scram of the BR2 Reactor

International Nuclear Information System (INIS)

Kalcheva, S.; Ponsard, B.; Koonen, E.

2007-01-01

The aim of this report is to validate the computational modules system SCALE4.4a for evaluation of reactivity changes, macroscopic absorption cross sections and calculations of the positions of the Control Rods during their motion in Xe-Sm transient after a scram of the BR-2 reactor. The rapid shutting down of the reactor by inserting of negative reactivity by the Control Rods is known as a reactor scram. Following reactor scram, a large xenon and samarium buildup occur in the reactor, which may appreciably affect the multiplication factor of the core due to enormous neutron absorption. The validation of the calculations of Xe-Sm transients by SCALE4.4a has been performed on the measurements of the positions of the Control Rods during their motion in Xe-Sm transients of the BR-2 reactor and on comparison with the calculations by the standard procedure XESM, developed at the BR-2 reactor. A final conclusion is made that the SCALE4.4a modules system can be used for evaluation of Xe-Sm transients of the BR-2 reactor. The utilization of the code is simple, the computational time takes from few seconds.

Calculation of Rates of 4p–4d Transitions in Ar II

Directory of Open Access Journals (Sweden)

Alan Hibbert

2017-02-01

Full Text Available Recent experimental work by Belmonte et al. (2014 has given rates for some 4p–4d transitions that are significantly at variance with the previous experimental work of Rudko and Tang (1967 recommended in the NIST tabulations. To date, there are no theoretical rates with which to compare. In this work, we provide such theoretical data. We have undertaken a substantial and systematic configuration interaction calculation, with an extrapolation process applied to ab initio mixing coefficients, which gives energy differences in agreement with experiment. The length and velocity forms give values that are within 10%–15% of each other. Our results are in sufficiently close agreement with those of Belmonte et al. that we can confidently recommend that their results are much more accurate than the early results of Rudko and Tang, and should be adopted in place of the latter.

Double ionization in Helium. Ab initio calculations beyond the one dimensional approximation

International Nuclear Information System (INIS)

Camilo Ruiz; Luis Plaja; Luis Roso; Andreas Becker

2006-01-01

Complete test of publication follows. We present ab-initio computations of the ionization of two-electron atoms by short pulses of coherent radiation beyond the one-dimensional approximation. In the model the electron correlation is included in its full dimensionality, while the center-of-mass motion is restricted along the polarization axis. We show some result for Non Sequential Double Ionization (NSDI) as well as for SDI for high intensity low IR frequency. Some recent applications for this correlated system is also presented.

Calculation of two-dimensional thermal transients by the method of finite elements

International Nuclear Information System (INIS)

Fontoura Rodrigues, J.L.A. da.

1980-08-01

The unsteady linear heat conduction analysis throught anisotropic and/or heterogeneous matter, in either two-dimensional fields with any kind of geometry or three-dimensional fields with axial symmetry is presented. The boundary conditions and the internal heat generation are supposed time - independent. The solution is obtained by modal analysis employing the finite element method under Galerkin formulation. Optionally, it can be used with a reduced resolution method called Stoker Economizing Method wich allows a decrease on the program processing costs. (Author) [pt

Term structure of 4d-electron configurations and calculated spectrum in Sn-isonuclear sequence

International Nuclear Information System (INIS)

Al-Rabban, Moza M.

2006-01-01

Theoretical calculations of term structure are carried out for the ground configurations 4d w , of atomic ions in the Sn isonuclear sequence. Atomic computations are performed to give a detailed account of the transitions in Sn +6 to Sn +13 ions. The spectrum is calculated for the most important excited configurations 4p 5 4d n+1 , 4d n-1 4f 1 , and 4d n-1 5p 1 with respect to the ground configuration 4d n , with n=8-1, respectively. The importance of 4p-4d, 4d-4f, and 4d-5p transitions is stressed, as well as the need for the configuration-interaction CI treatment of the Δn=0 transitions. In the region of importance for extreme ultraviolet (EUV) lithography around 13.4nm, the strongest lines were expected to be 4d n -4p 5 4d n+1 and 4d n -4d n-1 4f 1

Shielding calculations for NET

International Nuclear Information System (INIS)

Verschuur, K.A.; Hogenbirk, A.

1991-05-01

In the European Fusion Technology Programme there is only a small activity on research and development for fusion neutronics. Never-the-less, looking further than blanket design now, as ECN is getting involved in design of radiation shields for the coils and biological shields, it becomes apparent that fusion neutronics as a whole still needs substantial development. Existing exact codes for calculation of complex geometries like MCNP and DORT/TORT are put over the limits of their numerical capabilities, whilst approximate codes for complex geometries like FURNACE and MERCURE4 are put over the limits of their modelling capabilities. The main objective of this study is just to find out how far we can get with existing codes in obtaining reliable values for the radiation levels inside and outside the cryostat/shield during operation and after shut-down. Starting with a 1D torus model for preliminary parametric studies, more dimensional approximation of the torus or parts of it including the main heterogeneities should follow. Regular contacts with the NET-Team are kept, to be aware of main changes in NET design that might affect our calculation models. Work on the contract started 1 July 1990. The technical description of the contract is given. (author). 14 refs.; 4 figs.; 1 tab

Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of MoS2, h-BN, and phosphorene

DEFF Research Database (Denmark)

Rasmussen, Filip Anselm; Schmidt, Per Simmendefeldt; Winther, Kirsten Trøstrup

2016-01-01

Calculating the quasiparticle (QP) band structure of two-dimensional (2D) materials within the GW self-energy approximation has proven to be a rather demanding computational task. The main reason is the strong q dependence of the 2D dielectric function around q = 0 that calls for a much denser...

Dimensionality and R4P: A Health Equity Framework for Research Planning and Evaluation in African American Populations.

Science.gov (United States)

Hogan, Vijaya; Rowley, Diane L; White, Stephanie Baker; Faustin, Yanica

2018-02-01

Introduction Existing health disparities frameworks do not adequately incorporate unique interacting contributing factors leading to health inequities among African Americans, resulting in public health stakeholders' inability to translate these frameworks into practice. Methods We developed dimensionality and R4P to integrate multiple theoretical perspectives into a framework of action to eliminate health inequities experienced by African Americans. Results The dimensional framework incorporates Critical Race Theory and intersectionality, and includes dimensions of time-past, present and future. Dimensionality captures the complex linear and non-linear array of influences that cause health inequities, but these pathways do not lend themselves to approaches to developing empirically derived programs, policies and interventions to promote health equity. R4P provides a framework for addressing the scope of actions needed. The five components of R4P are (1) Remove, (2) Repair, (3) Remediate, (4) Restructure and (5) Provide. Conclusion R4P is designed to translate complex causality into a public health equity planning, assessment, evaluation and research tool.

Quasiparticle GW calculations for solids, molecules, and two-dimensional materials

DEFF Research Database (Denmark)

Hüser, Falco; Olsen, Thomas; Thygesen, Kristian Sommer

2013-01-01

band gap is around 1eV too low. Similar relative deviations are found for the ionization potentials of a test set of 32 small molecules. The importance of substrate screening for a correct description of quasiparticle energies and Fermi velocities in supported two-dimensional (2D) materials...... of quasiparticle states....

Two-dimensional versus three-dimensional treatment planning of tangential breast irradiation

International Nuclear Information System (INIS)

Damen, E.M.F.; Bruinvis, I.A.D.; Mijnheer, B.J.

1995-01-01

Purpose: Full three-dimensional (3-D) treatment planning requires 3-D patient contours and density information, derived either from CT scanning or from other 3-D contouring methods. These contouring techniques are time consuming, and are often not available or cannot be used. Two-dimensional (2-D) treatment planning can be performed using only a few patient contours, made with much simpler techniques, in combination with simulator images for estimating the lung position. In order to investigate the need for full 3-D planning, we compared the performance of both a 2-D and a 3-D planning system in calculating absolute dose values and relative dose distributions in tangential breast irradiation. Methods: Two breast-shaped phantoms were used in this study. The first phantom consists of a polyethylene mould, filled with water and cork to mimic the lung. An ionization chamber can be inserted in the phantom at fixed positions. The second phantom is made of 25 transverse slices of polystyrene and cork, made with a computerized milling machine from CT information. In this phantom, films can be inserted in three sagittal planes. Both phantoms have been irradiated with two tangential 8 MV photon beams. The measured dose distribution has been compared with the dose distribution predicted by the two planning systems. Results: In the central plane, the 3-D planning system predicts the absolute dose with an accuracy of 0.5 - 4%. The dose at the isocentre of the beams agrees within 0.5% with the measured dose. The 2-D system predicts the dose with an accuracy of 0.9 - 3%. The dose calculated at the isocentre is 2.6% higher than the measured dose, because missing lateral scatter is not taken into account in this planning system. In off-axis planes, the calculated absolute dose agrees with the measured dose within 4% for the 2-D system and within 6% for the 3-D system. However, the relative dose distribution is predicted better by the 3-D planning system. Conclusions: This study

On the Synthesis and Optical Characterization of Zero-Dimensional-Networked Perovskites

KAUST Repository

Almutlaq, Jawaher

2017-04-26

The three-dimensional perovskites are known for their wide range of interesting properties including spectral tunability, charge carrier mobility, solution-based synthesis and many others. Such properties make them good candidates for photovoltaics and photodetectors. Low-dimensional perovskites, on the other hand, are good as light emitters due to the quantum confinement originating from their nanoparticle size. Another class of low-dimensional perovskites, also called low-dimensional-networked perovskites (L-DN), is recently reemerging. Those interesting materials combine the advantages of the nanocrystals and the stability of the bulk. For example, zero-dimensional-networked perovskite (0-DN), a special class of perovskites and the focus of this work, consists of building blocks of isolated lead-halide octahedra that could be synthesized into mm-size single crystal without losing their confinement. This thesis focuses on the synthesis and investigation of the optical properties of the 0-DN perovskites through experimental, theoretical and computational tools. The recent discovery of the retrograde solubility of the perovskites family (ABX3), the basis of the inverse temperature crystallization (ITC), inspired the reinvestigation of the low-dimensional-networked perovskites. The results of the optical characterization showed that the absorption and the corresponding PL spectra were successfully tuned to cover the visible spectrum from 410 nm for Cs4PbCl6, to 520 nm and 700 m for Cs4PbBr6 and Cs4PbI6, respectively. Interestingly, the exciton binding energies (Eb) of the 0-DNs were found to be in the order of few hundred meV(s), at least five times larger than their three-dimensional counterpart. Such high Eb is coupled with a few nanoseconds lifetime and ultimately yielded a high photoluminesce quantum yield (PLQY). In fact, the PLQY of Cs4PbBr6 powder showed a record of 45%, setting a new benchmark for solid-state luminescent perovskites. Computational methods

GTHTR 300 economic calculation with Mini G4ECONS as a basis for generation cost of GTHTR 10 MWe calculation

International Nuclear Information System (INIS)

Mochamad Nasrullah; Nurlaila

2014-01-01

The government plan to build Experimental Power Reactor (EPR) requires measurable economic assessment. The purpose of the study was to recalculate Gas Turbine High Temperature Reactor of 300 MWe (GTHTR 300) and compare the results with reference data. Then calculate generation cost of GTHTR 3, 5 and 10 MWe using the scale factor calculation. The methodology used is covered the generation cost calculation using the Mini G4Econs spread sheet models published by IAEA. Result of the verification calculation showed that a relatively similar, which means that the calculation model could be used to calculate for same other cases. Afterward, using scale factor, smaller scale reactor could be calculated. The calculation result show that electricity generation cost of SMR-HTR type with load factor 90% and discount rate 10% for power capacity 3, 5 and 10 MWe are 29.5, 22.68 and 16.17 cents$/kWh respectively. However, because the EPR is planning to be built as a non-commercial power reactors, then 5 % and 3 % of discount rate could be chosen, each of those discount rate will result electricity generation cost of 10.37 cents$/kWh and 8.56 cents$/kWh respectively. These result could be considered by the government for developing SMR type of HTR. (author)

Stabilizing and Organizing Bi3 Cu4 and Bi7 Cu12 Nanoclusters in Two-Dimensional Metal-Organic Networks.

Science.gov (United States)

Yan, Linghao; Xia, Bowen; Zhang, Qiushi; Kuang, Guowen; Xu, Hu; Liu, Jun; Liu, Pei Nian; Lin, Nian

2018-04-16

Multinuclear heterometallic nanoclusters with controllable stoichiometry and structure are anticipated to possess promising catalytic, magnetic, and optical properties. Heterometallic nanoclusters with precise stoichiometry of Bi 3 Cu 4 and Bi 7 Cu 12 can be stabilized in the scaffold of two-dimensional metal-organic networks on a Cu(111) surface through on-surface metallosupramolecular self-assembly processes. The atomic structures of the nanoclusters were resolved using scanning tunneling microscopy and density functional theory calculations. The nanoclusters feature highly symmetric planar hexagonal shapes and core-shell charge modulation. The clusters are arranged as triangular lattices with a periodicity that can be tuned by choosing molecules of different size. This work shows that on-surface metallosupramolecular self-assembly creates unique possibilities for the design and synthesis of multinuclear heterometallic nanoclusters. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ferromagnetism in the two-dimensional periodic Anderson model

International Nuclear Information System (INIS)

Batista, C. D.; Bonca, J.; Gubernatis, J. E.

2001-01-01

Using the constrained-path Monte Carlo method, we studied the magnetic properties of the two-dimensional periodic Anderson model for electron fillings between 1/4 and 1/2. We also derived two effective low-energy theories to assist in interpreting the numerical results. For 1/4 filling, we found that the system can be a Mott or a charge-transfer insulator, depending on the relative values of the Coulomb interaction and the charge-transfer gap between the two noninteracting bands. The insulator may be a paramagnet or antiferromagnet. We concentrated on the effect of electron doping on these insulating phases. Upon doping we obtained a partially saturated ferromagnetic phase for low concentrations of conduction electrons. If the system were a charge-transfer insulator, we would find that the ferromagnetism is induced by the well-known Ruderman-Kittel-Kasuya-Yosida interaction. However, we found a novel correlated hopping mechanism inducing the ferromagnetism in the region where the nondoped system is a Mott insulator. Our regions of ferromagnetism spanned a much smaller doping range than suggested by recent slave boson and dynamical mean-field theory calculations, but they were consistent with that obtained by density-matrix renormalization group calculations of the one-dimensional periodic Anderson model

Spectral dimensionality of random superconducting networks

International Nuclear Information System (INIS)

Day, A.R.; Xia, W.; Thorpe, M.F.

1988-01-01

We compute the spectral dimensionality d of random superconducting-normal networks by directly examining the low-frequency density of states at the percolation threshold. We find that d = 4.1 +- 0.2 and 5.8 +- 0.3 in two and three dimensions, respectively, which confirms the scaling relation d = 2d/(2-s/ν), where s is the superconducting exponent and ν the correlation-length exponent for percolation. We also consider the one-dimensional problem where scaling arguments predict, and our numerical simulations confirm, that d = 0. A simple argument provides an expression for the density of states of the localized high-frequency modes in this special case. We comment on the connection between our calculations and the ''termite'' problem of a random walker on a random superconducting-normal network and point out difficulties in inferring d from simulations of the termite problem

Supplementary neutron-flux calculations for the ORNL Pool Critical Assembly Pressure Vessel Facility

International Nuclear Information System (INIS)

Maudlin, P.J.; Maerker, R.E.

1982-01-01

A three-dimensional Monte Carlo calculation using the MORSE code was performed to validate a procedure previously adopted in the ORNL discrete ordinate analysis of measurements made in the ORNL Pool Critical Assembly Pressure Vessel Facility. The results of these flux calculations agree, within statistical undertainties of about 5%, with those obtained from a discrete ordinate analysis employing the same procedure. This study therefore concludes that the procedure for combining several one- and two-dimensional discrete ordinate calculations into a three-dimensional flux is sufficiently accurate that it does not account for the existing discrepancies observed between calculations and measurements in this facility

Supplementary neutron-flux calculations for the ORNL Pool Critical Assembly Pressure Vessel Facility

Energy Technology Data Exchange (ETDEWEB)

Maudlin, P.J.; Maerker, R.E.

1982-01-01

A three-dimensional Monte Carlo calculation using the MORSE code was performed to validate a procedure previously adopted in the ORNL discrete ordinate analysis of measurements made in the ORNL Pool Critical Assembly Pressure Vessel Facility. The results of these flux calculations agree, within statistical undertainties of about 5%, with those obtained from a discrete ordinate analysis employing the same procedure. This study therefore concludes that the procedure for combining several one- and two-dimensional discrete ordinate calculations into a three-dimensional flux is sufficiently accurate that it does not account for the existing discrepancies observed between calculations and measurements in this facility.

SNAP-3D: a three-dimensional neutron diffusion code

International Nuclear Information System (INIS)

McCallien, C.W.J.

1975-10-01

A preliminary report is presented describing the data requirements of a one- two- or three-dimensional multi-group diffusion code, SNAP-3D. This code is primarily intended for neutron diffusion calculations but it can also carry out gamma calculations if the diffuse approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. It is assumed the reader is familiar with the older, two-dimensional code SNAP and can refer to the report [TRG-Report-1990], describing it. The present report concentrates on the enhancements to SNAP that have been made to produce the three-dimensional version, SNAP-3D, and is intended to act a a guide on data preparation until a single, comprehensive report can be published. (author)

A group of neutronics calculations in the MNSR using the MCNP-4C code

International Nuclear Information System (INIS)

Khattab, K.; Sulieman, I.

2009-11-01

The MCNP-4C code was used to model the 3-D core configuration for the Syrian Miniature Neutron Source Reactor (MNSR). The continuous energy neutron cross sections were evaluated from ENDF/B-VI library to calculate the thermal and fast neutron fluxes in the MNSR inner and outer irradiation sites. The thermal fluxes in the MNSR inner irradiation sites were measured for the first time using the multiple foil activation method. Good agreements were noticed between the calculated and measured results. This model is used as well to calculate neutron flux spectrum in the reactor inner and outer irradiation sites and the reactor thermal power. Three 3-D neutronic models for the Syrian MNSR reactor using the MCNP-4C code were developed also to assess the possibility of fuel conversion from 89.87 % HEU fuel (UAl 4 -Al) to 19.75 % LEU fuel (UO 2 ). This model is used in this paper to calculate the following reactor core physics parameters: clean cold core excess reactivity, calibration of the control rod worth and calculation its shut down margin, calibration of the top beryllium shim plate reflector, axial neutron flux distributions in the inner and outer irradiation sites and the kinetics parameters ( ι p l and β e ff). (authors)

A validation study of the Four-Dimensional Symptom Questionnaire (4DSQ) in insurance medicine

NARCIS (Netherlands)

Langerak, W.; Langeland, W.; van Balkom, A.J.L.M.; Draisma, S.; Terluin, B.; Draijer, P.J.

2012-01-01

Objective: This study aimed to evaluate the criterion validity and the diagnostic accuracy of the Four-Dimensional Symptom Questionnaire (4DSQ) regarding the identification of depressive and anxiety disorders in an insurance medicine setting. Participants: Our sample consisted of 230 individuals who

Development of whole core thermal-hydraulic analysis program ACT. 4. Incorporation of three-dimensional upper plenum model

International Nuclear Information System (INIS)

Ohshima, Hiroyuki

2003-03-01

The thermal-hydraulic analysis computer program ACT is under development for the evaluation of detailed flow and temperature fields in a core region of fast breeder reactors under various operation conditions. The purpose of this program development is to contribute not only to clarifying thermal hydraulic characteristics that cannot be revealed by experiments due to measurement difficulty but also to performing rational safety design and assessment. This report describes the incorporation of a three-dimensional upper plenum model to ACT and its verification study as part of the program development. To treat the influence of three-dimensional thermal-hydraulic behavior in a upper plenum on the in-core temperature field, the multi-dimensional general purpose thermal-hydraulic analysis program AQUA, which was developed and validated at JNC, was applied as the base of the upper plenum analysis module of ACT. AQUA enables to model the upper plenum configuration including immersed heat exchangers of the direct reactor auxiliary cooling system (DRACS). In coupling core analysis module that consists of the fuel-assembly and the inter-wrapper gap calculation parts with the upper plenum module, different types of computation mesh systems were jointed using the staggered quarter assembly mesh scheme. A coupling algorithm among core, upper plenum and heat transport system modules, which can keep mass, momentum and energy conservation, was developed and optimized in consideration of parallel computing. ACT was applied to analyzing a sodium experiment (PLANDTL-DHX) performed at JNC, which simulated the natural circulation decay heat removal under DRACS operation conditions for the program verification. From the calculation result, the validity of the improved program was confirmed. (author)

Synthesis of One Dimensional Li2MoO4 Nanostructures and Their Electrochemical Performance as Anode Materials for Lithium-ion Batteries

International Nuclear Information System (INIS)

Liu, Xudong; Zhao, Yanming; Dong, Youzhong; Fan, Qinghua; Kuang, Quan; Liang, Zhiyong; Lin, Xinghao; Han, Wei; Li, Qidong; Wen, Mingming

2015-01-01

Highlights: • One dimensional Li 2 MoO 4 nanostructures including nanorods and nanotubes have been successfully fabricated via a simple sol-gel method firstly. • Possible crystal formation mechanisms are proposed for these one dimensional Li 2 MoO 4 nanostructures. • These one dimensional Li 2 MoO 4 nanostructure electrode materials present outstanding rate abilities and cycle capabilities in electrochemical performance compared to the carbon-free powder sample when evaluated as anode materials for Lithium-ion batteries. • The carbon-coated Li 2 MoO 4 nanotube electrode improves the charging/discharging capacities of graphite even after applying 60 cycles at very high current density. - Abstract: One dimensional Li 2 MoO 4 nanostructures including nanorods and nanotubes have been successfully fabricated via a simple sol-gel method adding Li 2 CO 3 and MoO 3 powders into distilled water with citric acid as an assistant agent and carbon source. Our experimental results show that the formation of the one dimensional nanostructure morphology is evaporation and crystallization process with self-adjusting into a rod-like hexagonal cross-section structure, while the citric acid played an important role during the formation of Li 2 MoO 4 nanotubes under the acidic environment by capping, stabilizing the {1010} facet of Li 2 MoO 4 structure and controlling the concentration of H + (pH value) of the aqueous solution. Finally, basic electrochemical performance of these one dimensional Li 2 MoO 4 nanostructures including nanorods and nanotubes evaluated as anode materials for lithium-ion batteries (LIBs) are discussed, for comparison, the properties of carbon-free powder sample synthesized by solid-state reaction are also displayed. Experimental results show that different morphology and carbon-coating on the surface have an important influence on electrochemical performance

Qualities of Wigner function and its applications to one-dimensional infinite potential and one-dimensional harmonic oscillator

International Nuclear Information System (INIS)

Xu Hao; Shi Tianjun

2011-01-01

In this article,the qualities of Wigner function and the corresponding stationary perturbation theory are introduced and applied to one-dimensional infinite potential well and one-dimensional harmonic oscillator, and then the particular Wigner function of one-dimensional infinite potential well is specified and a special constriction effect in its pure state Wigner function is discovered, to which,simultaneously, a detailed and reasonable explanation is elaborated from the perspective of uncertainty principle. Ultimately, the amendment of Wigner function and energy of one-dimensional infinite potential well and one-dimensional harmonic oscillator under perturbation are calculated according to stationary phase space perturbation theory. (authors)

Hindered rotational energy barriers of BH4- tetrahedra in β-Mg(BH4)2 from quasielastic neutron scattering and DFT calculations

DEFF Research Database (Denmark)

Blanchard, Didier; Maronsson, Jon Bergmann; Riktor, M.D.

2012-01-01

, around the 2-fold (C2) and 3-fold (C3) axes were observed at temperatures from 120 to 440 K. The experimentally obtained activation energies (EaC2 = 39 and 76 meV and EaC3 = 214 meV) and mean residence times between reorientational jumps are comparable with the energy barriers obtained from DFT......In this work, hindered rotations of the BH4- tetrahedra in Mg(BH4)2 were studied by quasielastic neutron scattering, using two instruments with different energy resolution, in combination with density functional theory (DFT) calculations. Two thermally activated reorientations of the BH4- units...... calculations. A linear dependency of the energy barriers for rotations around the C2 axis parallel to the Mg-Mg axis with the distance between these two axes was revealed by the DFT calculations. At the lowest temperature (120 K) only 15% of the BH4- units undergo rotational motion and from comparison with DFT...

Hydrothermal synthesis and characterization of a two-dimensional piperazinium cobalt–zinc phosphate via a metastable one-dimensional phase

International Nuclear Information System (INIS)

Torre-Fernández, Laura; Khainakova, Olena A.; Espina, Aránzazu; Amghouz, Zakariae; Khainakov, Sergei A.; Alfonso, Belén F.; Blanco, Jesús A.; García, José R.; García-Granda, Santiago

2015-01-01

A two-dimensional piperazinium cobalt–zinc phosphate, formulated as (C 4 N 2 H 12 ) 1.5 (Co 0.6 Zn 0.4 ) 2 (HPO 4 ) 2 (PO 4 )·H 2 O (2D), was synthesized under hydrothermal conditions. The crystal structure was determined using single-crystal X-ray diffraction data (monoclinic P2 1 /c, a=8.1165(3) Å, b=26.2301(10) Å, c=8.3595(4) Å, and β=110.930(5)°) and the hydrogen atom positions were optimized by DFT calculations. A single-crystal corresponding to one-dimensional metastable phase, (C 4 N 2 H 12 )Co 0.3 Zn 0.7 (HPO 4 ) 2 ·H 2 O (1D), was also isolated and the crystal structure was determined (monoclinic P2 1 /c, a=8.9120(6) Å, b=14.0290(1) Å, c=12.2494(5) Å, and β=130.884(6)°). The bulk was characterized by chemical (C–H–N) analysis, powder X-ray diffraction (PXRD), powder X-ray thermodiffractometry (HT-XRD), transmission electron microscopy (STEM(DF)-EDX and EFTEM), and thermal analysis (TG/SDTA-MS), including activation energy data of its thermal decomposition. The magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Graphical abstract: Hydrothermal synthesis and structural characterization of a two-dimensional piperazinium cobalt–zinc phosphate, (C 4 N 2 H 12 ) 1.5 (Co 0.6 Zn 0.4 ) 2 (HPO 4 ) 2 (PO 4 )·H 2 O (2D), have been reported. The crystal structure of a one-dimensional piperazinium cobalt–zinc phosphate, (C 4 N 2 H 12 )Co 0.3 Zn 0.7 (HPO 4 ) 2 ·H 2 O (1D) a metastable phase during the hydrothermal synthesis, was also determined. The thermal behavior of 2D compound is strongly dependent on the selected heating rate and the magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Highlights: • A 2D piperazinium cobalt–zinc phosphate has been synthesized and characterized. • Crystal structure of 1D metastable phase was also determined. • Thermal behavior of 2D compound is strongly dependent on the selected heating rate. • Magnetic

Calculations in the Wheeler-Feynman absorber theory of radiation

International Nuclear Information System (INIS)

Balaji, K.S.

1986-01-01

One dimensional computer aided calculations were done to find the self consistent solutions for various absorber configurations in the context of the Wheeler-Feynman absorber theory, wherein every accelerating charge is assumed to produce a time symmetric combination of advanced and retarded fields. These calculations picked out the so called outerface solution for incomplete absorbers and showed that advanced as well as retarded signals interact with matter in the same manner as in the full retarded theory. Based on these calculations, the Partridge experiment and the Schmidt-Newman experiment were ruled out as tests of the absorber theory. An experiment designed to produce and detect advanced effects is proposed, based on more one-dimensional calculations

TRIGA fuel element burnup determination by measurement and calculation

International Nuclear Information System (INIS)

Zagar, T.; Ravnik, M.; Persic, A.; Jeraj, R.

2000-01-01

To estimate the accuracy of the fuel element burnup calculation different factors influencing the calculation were studied. To cover different aspects of burnup calculations, two in-house developed computer codes were used in calculations. The first (TRIGAP) is based on a one-dimensional two-group diffusion approximation, and the second (TRIGLAV) is based on a two-dimensional four-group diffusion equation. Both codes use WIMSD program with different libraries forunit-cell cross section data calculation. The burnup accumulated during the operating history of the TRIGA reactor at Josef Stefan Institute was calculated for all fuel elements. Elements used in the core during this period were standard SS 8.5% fuel elements, standard SS 12% fuel elements and highly enriched FLIP fuel elements. During the considerable period of operational history, FLIP and standard fuel elements were used simultaneously in mixed cores. (authors)

3-D flux distribution and criticality calculation of TRIGA Mark-II

International Nuclear Information System (INIS)

Can, B.

1982-01-01

In this work, the static calculation of the (I.T.U. TRIGA Mark-II) flux distribution has been made. The three dimensional, r-θ-z, representation of the core has been used. In this representation, for different configuration, the flux distribution has been calculated depending on two group theory. The thermal-hydraulics, the poisoning effects have been ignored. The calculations have been made by using the three dimensional and multigroup code CAN. (author)

Interrelated Dimensional Chains in Predicting Accuracy of Turbine Wheel Assembly Parameters

Science.gov (United States)

Yanyukina, M. V.; Bolotov, M. A.; Ruzanov, N. V.

2018-03-01

The working capacity of any device primarily depends on the assembly accuracy which, in its turn, is determined by the quality of each part manufactured, i.e., the degree of conformity between final geometrical parameters and the set ones. However, the assembly accuracy depends not only on a qualitative manufacturing process but also on the assembly process correctness. In this connection, there were preliminary calculations of assembly stages in terms of conformity to real geometrical parameters with their permissible values. This task is performed by means of the calculation of dimensional chains. The calculation of interrelated dimensional chains in the aircraft industry requires particular attention. The article considers the issues of dimensional chain calculation modelling by the example of the turbine wheel assembly process. The authors described the solution algorithm in terms of mathematical statistics implemented in Matlab. The paper demonstrated the results of a dimensional chain calculation for a turbine wheel in relation to the draw of turbine blades to the shroud ring diameter. Besides, the article provides the information on the influence of a geometrical parameter tolerance for the dimensional chain link elements on a closing one.

Molecular dynamics and quantum chemical calculation studies on 4,4-dimethyl-3-thiosemicarbazide as corrosion inhibitor in 2.5 M H{sub 2}SO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Musa, Ahmed Y., E-mail: ahmed.musa@ymail.com [Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangor (Malaysia); Kadhum, Abdul Amir H.; Mohamad, Abu Bakar; Takriff, Mohd Sobri [Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangor (Malaysia)

2011-09-15

Highlights: {yields} This work deals with a study of chemical additives for corrosion inhibition of mild steel in acidic conditions. {yields} The effects of the additive 4,4-dimethyl-3-thiosemicarbazide (DTS) on mild steel were studied by means of electrochemical techniques. {yields} Quantum chemical calculations and molecular dynamic model were performed to characterize the inhibition mechanism. {yields} The calculations provided information that helps in the analysis/interpretation of the experimental work. - Abstract: The inhibition of mild steel corrosion in a 2.5 M H{sub 2}SO{sub 4} solution by 4,4-dimethyl-3-thiosemicarbazide (DTS) was studied at 30 deg. C using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). Quantum chemical parameters were calculated for DTS using PM3-SCF method. The molecular dynamic method was performed to simulate the adsorption of the DTS molecules on Fe surface. Results showed that DTS performed excellent as inhibitor for mild steel corrosion in a 2.5 M H{sub 2}SO{sub 4} solution and indicated that the inhibition efficiencies increase with the concentration of inhibitor. Theoretical results indicated that DTS could adsorb on the mild steel surface firmly through heteroatoms.

Project W-320, 241-C-106 sluicing: Piping calculations. Volume 4

International Nuclear Information System (INIS)

Bailey, J.W.

1998-01-01

This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The objective of this calculation is to perform the structural analysis of the Pipe Supports designed for Slurry and Supernate transfer pipe lines in order to meet the requirements of applicable ASME codes. The pipe support design loads are obtained from the piping stress calculations W320-27-I-4 and W320-27-I-5. These loads are the total summation of the gravity, pressure, thermal and seismic loads. Since standard typical designs are used for each type of pipe support such as Y-Stop, Guide and Anchors, each type of support is evaluated for the maximum loads to which this type of supports are subjected. These loads are obtained from the AutoPipe analysis and used to check the structural adequacy of these supports

Project W-320, 241-C-106 sluicing: Piping calculations. Volume 4

Energy Technology Data Exchange (ETDEWEB)

Bailey, J.W.

1998-07-24

This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The objective of this calculation is to perform the structural analysis of the Pipe Supports designed for Slurry and Supernate transfer pipe lines in order to meet the requirements of applicable ASME codes. The pipe support design loads are obtained from the piping stress calculations W320-27-I-4 and W320-27-I-5. These loads are the total summation of the gravity, pressure, thermal and seismic loads. Since standard typical designs are used for each type of pipe support such as Y-Stop, Guide and Anchors, each type of support is evaluated for the maximum loads to which this type of supports are subjected. These loads are obtained from the AutoPipe analysis and used to check the structural adequacy of these supports.

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

Pulsating strings from two-dimensional CFT on (T4N/S(N

Directory of Open Access Journals (Sweden)

Carlos Cardona

2015-04-01

Full Text Available We propose a state from the two-dimensional conformal field theory on the orbifold (T4N/S(N as a dual description for a pulsating string moving in AdS3. We show that, up to first order in the deforming parameter, the energy in both descriptions has the same dependence on the mode number, but with a non-trivial function of the coupling.

WIMSD4 calculations of the Westinghouse 'EDASA' lattices with plutonium dioxide fuel

International Nuclear Information System (INIS)

Halsall, M.J.

1977-03-01

A series of Westinghouse critical PuO 2 /UO 2 pin-cell assemblies is analysed using the lattice code WIMSD4. The results are presented in terms of computed k-effective values, with comment on the choice of method for calculating high leakage systems and on the adequacy of WIMSD4 for evaluating plutonium enriched lattices. (author)

Preliminary results of the seventh three-dimensional AER dynamic benchmark problem calculation. Solution with DYN3D and RELAP5-3D codes

International Nuclear Information System (INIS)

Bencik, M.; Hadek, J.

2011-01-01

The paper gives a brief survey of the seventh three-dimensional AER dynamic benchmark calculation results received with the codes DYN3D and RELAP5-3D at Nuclear Research Institute Rez. This benchmark was defined at the twentieth AER Symposium in Hanassari (Finland). It is focused on investigation of transient behaviour in a WWER-440 nuclear power plant. Its initiating event is opening of the main isolation valve and re-connection of the loop with its main circulation pump in operation. The WWER-440 plant is at the end of the first fuel cycle and in hot full power conditions. Stationary and burnup calculations were performed with the code DYN3D. Transient calculation was made with the system code RELAP5-3D. The two-group homogenized cross sections library HELGD05 created by HELIOS code was used for the generation of reactor core neutronic parameters. The detailed six loops model of NPP Dukovany was adopted for the seventh AER dynamic benchmark purposes. The RELAP5-3D full core neutronic model was coupled with 49 core thermal-hydraulic channels and 8 reflector channels connected with the three-dimensional model of the reactor vessel. The detailed nodalization of reactor downcomer, lower and upper plenum was used. Mixing in lower and upper plenum was simulated. The first part of paper contains a brief characteristic of RELAP5-3D system code and a short description of NPP input deck and reactor core model. The second part shows the time dependencies of important global and local parameters. (Authors)

The N=4 supersymmetric E8 gauge theory and coset space dimensional reduction

International Nuclear Information System (INIS)

Olive, D.; West, P.

1983-01-01

Reasons are given to suggest that the N=4 supersymmetric E 8 gauge theory be considered as a serious candidate for a physical theory. The symmetries of this theory are broken by a scheme based on coset space dimensional reduction. The resulting theory possesses four conventional generations of low-mass fermions together with their mirror particles. (orig.)

Thermohydraulic calculations of PWR primary circuits

International Nuclear Information System (INIS)

Botelho, D.A.

1984-01-01

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

On the control parameters of the quasi-one dimensional superconductivity in Sc{sub 3}CoC{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Eickerling, Georg; Hauf, Christoph; Scheidt, Ernst-Wilhelm; Reichardt, Lena; Schneider, Christian; Scherer, Wolfgang [Institut fuer Physik, Universitaet Augsburg, Universitaetstrasse 1, 86179 Augsburg (Germany); Munoz, Alfonso [Departamento de Fisica Fundamental II, Instituto de Materiales y Nanotecnologia, Universidad de La Laguna, Tenerife (Spain); Lopez-Moreno, Sinhue [Escuela Superior Cd. Sahagun, Universidad Autonoma del Estado de Hidalgo, Carretera Cd. Sahagun-Otumba s/n. 43990, Hidalgo (Mexico); Humberto Romero, Aldo [Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315 (United States); Max Planck Institut fuer Mikrostruktur Physik, Weinberg 2, 06120 Halle (Germany); Porcher, Florence; Andre, Gilles [Laboratoire Leon Brillouin, UMR12 CEA-CNRS, Bat 563 CEA Saclay, 91191 Gif sur Yvette Cedex (France); Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster, Corrensstrasse 30, 48149 Muenster (Germany)

2013-09-15

Within the series of ternary rare-earth transition metal carbides Sc{sub 3}TC{sub 4} (T = Fe, Co, Ni) only the Co congener displays a structural phase transition at 72 K and an onset of bulk superconductivity at 4.5 K. In this paper we present the results of a detailed analysis of the structural, electronic, and vibrational properties of the low-temperature phase of Sc{sub 3}CoC{sub 4} that represents one of the few well-documented examples of a quasi one-dimensional (1D) superconductor. Variable temperature neutron powder diffraction and low temperature X-ray diffraction experiments were performed in order to confirm the subtle structural distortions during the phase transition. The results of periodic electronic structure calculations indicate, that the structural transition can clearly be identified as a Peierls-type distortion and by a comparison with the isostructural carbide Sc{sub 3}FeC{sub 4} we are able to identify the chemical, electronic, and the vibrational control parameters of the transition. Topological analyses of the electron density distribution and of the valence shell charge concentrations at the cobalt atom finally allow us to directly correlate the changes in the electronic structure due to the Peierls transition in reciprocal space with the according subtle changes in the real space properties of Sc{sub 3}CoC{sub 4}. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Two-dimensional magnetism in the triangular antiferromagnet NiGa2S4

International Nuclear Information System (INIS)

Nambu, Yusuke

2013-01-01

At sufficiently low temperatures, electron spins in normal magnets generally order into some fashion, for instance, ferromagnetic and antiferromagnetic. Geometrical frustration and/or reduced dimensionality can suppress such conventional orders, and occasionally induce unknown states of matter. This is the case for the two-dimensional (2D) triangular antiferromagnet Ni(Ga 2 S 4 , in which S=1 nickel spins do not order, instead show an exotic magnetism. We found (1) a resonant critical slowing down toward T*=8.5 K followed by a viscous spin liquid behavior, and (2) a spin-size dependent ground state. To elucidate (1), spin dynamics ranging from 10 -13 to 10 0 seconds were quantitatively explored through the experimental techniques such as inelastic neutron scattering, backscattering, neutron spin echo, ac and nonlinear susceptibilities. The finding of (2) is evidenced by impurity effects. Integer spins substituted systems such as zinc and iron ions retain a quadratic temperature dependence of the magnetic specific heat as for the parent compound. However, substitutions of half-odd integer spins, cobalt and manganese ions, eventually induce a distinct behavior, indicating an importance of integer size of spins to stabilize the 2D magnetism realized in NiGa 2 S 4 . The article gives our experimental findings and as well as some relevant theoretical scenarios. (author)

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

DRAGON, Reactor Cell Calculation System with Burnup

International Nuclear Information System (INIS)

2007-01-01

1 - Description of program or function: DRAGON is a collection of models to simulate the neutronic behavior of a unit cell or a fuel assembly in a nuclear reactor. It includes all of the functions that characterize a lattice cell code, namely: interpolation of microscopic cross sections supplied by means of standard libraries; resonance self-shielding calculations in multidimensional geometries; multigroup and multidimensional neutron flux calculations which can take into account neutron leakage; transport-transport or transport-diffusion equivalence calculations as well as editing of condensed and homogenized nuclear properties for reactor calculations; and finally isotopic depletion calculations. The user must supply cross sections. DRAGON can access directly standard microscopic cross-section libraries in the following formats: DRAGON, MATXS (TRANSX-CTR), WIMSD4, WIMS-AECL, and APOLLO. It has the capability of exchanging macroscopic and microscopic cross-section libraries with a code such as PSR-0206/TRANSX-CTR or PSR-0317/TRANSX-2 by the use of the GOXS and ISOTXS format files. Macroscopic cross sections can also be read in DRAGON via the input data stream. 2 - Method of solution: DRAGON contains a multigroup iterator conceived to control a number of different algorithms for the solution of the neutron transport equation. Each of these algorithms is presented in the form of a one-group solution procedure where the contributions from other energy groups are included in a source term. The current version, DRAGON 9 71124 (Release 3.02), which was released in January 1998, contains three such algorithms. The JPM option solves the integral transport equation using the interface current method applied to homogeneous blocks; the SYBIL option solves the integral transport equation using the collision probability method for simple one-dimensional (1-D) or two-dimensional (2-D) geometries and the interface current method for 2-D Cartesian or hexagonal assemblies; and the

First-principle calculations on the structural and electronic properties of hard C{sub 11}N{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Li, Dongxu, E-mail: lidongxu@hqu.edu.cn [College of Materials Science and Engineering, Huaqiao University, Xiamen 361021 (China); Shi, Jiancheng; Lai, Mengling; Li, Rongkai [College of Materials Science and Engineering, Huaqiao University, Xiamen 361021 (China); Yu, Dongli [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

2014-09-15

A graphite-like C{sub 11}N{sub 4} model was built by stacking graphene and a C{sub 3}N{sub 4} triazine layer and simulated by first principle calculations, which transfers to a diamond-like structure under high pressure. The structural, mechanical, and electronic properties of both materials were calculated. The elastic constants of both materials satisfy the Born-criterion. Furthermore, no imaginary frequencies were observed in phonon calculations. The diamond-like C{sub 11}N{sub 4} is semiconducting and consists of polyhedral and hollow C–N cages. The Vickers hardness of diamond-like C{sub 11}N{sub 4} was calculated to be 58 GPa. The phase transformation from graphite-like to diamond-like C{sub 11}N{sub 4} is proposed to occur at approximately 27.2 GPa based on the pressure-dependent enthalpy.

Calculation of phase equilibria in the Na2SO4-K2SO4-Cs2SO4-H2O system at 25 deg C

International Nuclear Information System (INIS)

Filippov, V.K.; Kalinkin, A.M.; Vasin, S.K.

1990-01-01

Calculation results of solubility diagram and water activity in saturated solutions of Na 2 SO 4 -K 2 SO 4 -Cs 2 SO 4 -H 2 O system at 25 deg C are presented. It is shown that for the calculation of quaternary systems one can use the Pitzer equations. Solubility diagram for the system studied is plotted and data on composition and water activity of solutions saturated by two or three solid phases are given. Classification of nonvariant equilibria from the viewpoint of isomorphism of solubility and fusibility diagrams permits to depict the direction of phase processes during isothermal evaporation of water

Improvements in EBR-2 core depletion calculations

International Nuclear Information System (INIS)

Finck, P.J.; Hill, R.N.; Sakamoto, S.

1991-01-01

The need for accurate core depletion calculations in Experimental Breeder Reactor No. 2 (EBR-2) is discussed. Because of the unique physics characteristics of EBR-2, it is difficult to obtain accurate and computationally efficient multigroup flux predictions. This paper describes the effect of various conventional and higher order schemes for group constant generation and for flux computations; results indicate that higher-order methods are required, particularly in the outer regions (i.e. the radial blanket). A methodology based on Nodal Equivalence Theory (N.E.T.) is developed which allows retention of the accuracy of a higher order solution with the computational efficiency of a few group nodal diffusion solution. The application of this methodology to three-dimensional EBR-2 flux predictions is demonstrated; this improved methodology allows accurate core depletion calculations at reasonable cost. 13 refs., 4 figs., 3 tabs

Determination of the burn-up of TRIGA fuel elements by calculation with new TRIGLAV program

International Nuclear Information System (INIS)

Zagar, T.; Ravnik, M.

1996-01-01

The results of fuel element burn-up calculations with new TRIGLAV program are presented. TRIGLAV program uses two dimensional model. Results of calculation are compared to results calculated with program, which uses one dimensional model. The results of fuel element burn-up measurements with reactivity method are presented and compared with the calculated results. (author)

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

DEFF Research Database (Denmark)

Vendrell, Oriol; Gatti, Fabien; Meyer, Hans-Dieter

2007-01-01

The infrared absorption spectrum of the protonated water dimer (H5O2+) is simulated in full dimensionality (15 dimensional) in the spectral range of 0-4000 cm(-1). The calculations are performed using the multiconfiguration time-dependent Hartree (MCTDH) method for propagation of wavepackets. All...

Criticality calculations for homogeneous mixtures of uranium and plutonium

International Nuclear Information System (INIS)

Spiegelberg, R. de S.H.

1981-05-01

Critical parameters were calculated using the one-dimensional multigroup transport theory. Calculations have been performed for water mixture of uranium metal and uranium oxides and plutonium nitrates to determine the dimensions of simple critical geometries (sphere and cylinder). The results of the calculations were plotted showing critical parameters (volume, radius or critical mass). The critical values obtained in Handbuch zur Kritikalitat were used to compare with critical parameters. A sensitivity study for the influences of mesh space size, multigroup structure and order of the S sub(n) approximation on the critical radius was carried out. The GAMTEC-II code was used to generate multigroup cross sections data. Critical radius were calculated using the one-dimensional multigroup transport code DTF-IV. (Author) [pt

Experimental validation of a deforming grid 4D dose calculation for PBS proton therapy

Science.gov (United States)

Krieger, Miriam; Klimpki, Grischa; Fattori, Giovanni; Hrbacek, Jan; Oxley, David; Safai, Sairos; Weber, Damien C.; Lomax, Antony J.; Zhang, Ye

2018-03-01

The aim of this study was to verify the temporal accuracy of the estimated dose distribution by a 4D dose calculation (4DDC) in comparison to measurements. A single-field plan (0.6 Gy), optimised for a liver patient case (CTV volume: 403cc), was delivered to a homogeneous PMMA phantom and measured by a high resolution scintillating-CCD system at two water equivalent depths. Various motion scenarios (no motion and motions with amplitude of 10 mm and two periods: 3.7 s and 4.4 s) were simulated using a 4D Quasar phantom and logged by an optical tracking system in real-time. Three motion mitigation approaches (single delivery, 6× layered and volumetric rescanning) were applied, resulting in 10 individual measurements. 4D dose distributions were retrospectively calculated in water by taking into account the delivery log files (retrospective) containing information on the actually delivered spot positions, fluences, and time stamps. Moreover, in order to evaluate the sensitivity of the 4DDC inputs, the corresponding prospective 4DDCs were performed as a comparison, using the estimated time stamps of the spot delivery and repeated periodical motion patterns. 2D gamma analyses and dose-difference-histograms were used to quantify the agreement between measurements and calculations for all pixels with > 5% of the maximum calculated dose. The results show that a mean gamma score of 99.2% with standard deviation 1.0% can be achieved for 3%/3 mm criteria and all scenarios can reach a score of more than 95%. The average area with more than 5% dose difference was 6.2%. Deviations due to input uncertainties were obvious for single scan deliveries but could be smeared out once rescanning was applied. Thus, the deforming grid 4DDC has been demonstrated to be able to predict the complex patterns of 4D dose distributions for PBS proton therapy with high dosimetric and geometric accuracy, and it can be used as a valid clinical tool for 4D treatment planning, motion mitigation

Reaction matrix calculation of 4He including Δ degrees of freedom

International Nuclear Information System (INIS)

Wakamatsu, Masashi.

1979-06-01

The effects of the Δ(3-3 resonance) components on the binding energy of 4 He are studied within the framework of the reaction matrix theory. In this approach, the Δ configurations in 4 He are introduced in terms of the NΔ transition potential by solving the reaction matrix equation and thus it goes beyond perturbation theory with the NΔ transition potential. Not only the two-body cluster energy but also the three-body cluster energy containing Δ configurations are calculated. (author)

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

International Nuclear Information System (INIS)

Zmijarevic, I.; Petrovic, I.

1985-01-01

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

Three-dimensional tokamak equilibria and stellarators with two-dimensional magnetic symmetry

International Nuclear Information System (INIS)

Garabedian, P.R.

1997-01-01

Three-dimensional computer codes have been developed to simulate equilibrium, stability and transport in tokamaks and stellarators. Bifurcated solutions of the tokamak problem suggest that three-dimensional effects may be more important than has generally been thought. Extensive calculations have led to the discovery of a stellarator configuration with just two field periods and with aspect ratio 3.2 that has a magnetic field spectrum B mn with toroidal symmetry. Numerical studies of equilibrium, stability and transport for this new device, called the Modular Helias-like Heliac 2 (MHH2), will be presented. (author)

Pyridine-induced Dimensionality Change in Hybrid Perovskite Nanocrystals

KAUST Repository

Ahmed, Ghada H.; Yin, Jun; Bose, Riya; Sinatra, Lutfan; Alarousu, Erkki; Yengel, Emre; AlYami, Noktan; Saidaminov, Makhsud I.; Zhang, Yuhai; Hedhili, Mohamed N.; Bakr, Osman; Bredas, Jean-Luc; Mohammed, Omar F.

2017-01-01

of pyridine during the synthesis of methylammonium lead bromide (MAPbBr) perovskite nanocrystals can transform three-dimensional (3D) cubes into two-dimensional (2D) nanostructures. Density functional theory (DFT) calculations show that pyridine preferentially

Experimental investigation of 4-dimensional superspace crystals

International Nuclear Information System (INIS)

Rasing, T.; Janner, A.

1983-09-01

The symmetry of incommensurate crystals can be described by higher dimensional space groups in the so called superspace approach. The basic ideas are explained and used for showing that superspace groups provide an adequate frame for analyzing experimental results on incommensurate crystals

Reply to "Comment on 'Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit' ".

Science.gov (United States)

Gebremedhin, Daniel H; Weatherford, Charles A

2015-02-01

This is a response to the comment we received on our recent paper "Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit." In that paper, we introduced a computational algorithm that is appropriate for solving stiff initial value problems, and which we applied to the one-dimensional time-independent Schrödinger equation with a soft Coulomb potential. We solved for the eigenpairs using a shooting method and hence turned it into an initial value problem. In particular, we examined the behavior of the eigenpairs as the softening parameter approached zero (hard Coulomb limit). The commenters question the existence of the ground state of the hard Coulomb potential, which we inferred by extrapolation of the softening parameter to zero. A key distinction between the commenters' approach and ours is that they consider only the half-line while we considered the entire x axis. Based on mathematical considerations, the commenters consider only a vanishing solution function at the origin, and they question our conclusion that the ground state of the hard Coulomb potential exists. The ground state we inferred resembles a δ(x), and hence it cannot even be addressed based on their argument. For the excited states, there is agreement with the fact that the particle is always excluded from the origin. Our discussion with regard to the symmetry of the excited states is an extrapolation of the soft Coulomb case and is further explained herein.

A two-dimensional ZnII coordination polymer constructed from benzene-1,2,3-tricarboxylic acid and N,N'-bis[(pyridin-4-yl)methylidene]hydrazine.

Science.gov (United States)

Wang, Xiangfei; Yang, Fang; Tang, Meng; Yuan, Limin; Liu, Wenlong

2015-07-01

The hydrothermal synthesis of the novel complex poly[aqua(μ4-benzene-1,2,3-tricarboxylato)[μ2-4,4'-(hydrazine-1,2-diylidenedimethanylylidene)dipyridine](μ3-hydroxido)dizinc(II)], [Zn(C9H3O6)(OH)(C12H10N4)(H2O)]n, is described. The benzene-1,2,3-tricarboxylate ligand connects neighbouring Zn4(OH)2 secondary building units (SBUs) producing an infinite one-dimensional chain. Adjacent one-dimensional chains are connected by the N,N'-bis[(pyridin-4-yl)methylidene]hydrazine ligand, forming a two-dimensional layered structure. Adjacent layers are stacked to generate a three-dimensional supramolecular architecture via O-H...O hydrogen-bond interactions. The thermal stability of this complex is described and the complex also appears to have potential for application as a luminescent material.

Quantitative application of Fermi-Dirac functions of two- and three-dimensional systems

International Nuclear Information System (INIS)

Grimmer, D.P.; Luszczynski, K.; Salibi, N.

1981-01-01

Expressions for the various physical parameters of the ideal Fermi-Dirac gas in two dimensions are derived and compared to the corresponding three-dimensional expressions. These derivations show that the Fermi-Dirac functions most applicable to the two-dimensional problem are F/sub o/(eta), F 1 (eta), and F' 0 (eta). Analogous to the work of McDougall and Stoner in three dimensions, these functions and parameters derived from them are tabulated over the range of the argument, -4 3 He monolayer and bulk liquid 3 He nuclear magnetic susceptibilities, respectively, are considered. Calculational procedures of fitting data to theoretical parameters and criteria for judging the quality of fit of data to both two- and three-dimensional Fermi-Dirac values are discussed

WE-AB-202-03: Quantifying Ventilation Change Due to Radiation Therapy Using 4DCT Jacobian Calculations

International Nuclear Information System (INIS)

Patton, T; Du, K; Bayouth, J; Christensen, G; Reinhardt, J

2016-01-01

Purpose: Four-dimensional computed tomography (4DCT) and image registration can be used to determine regional lung ventilation changes after radiation therapy (RT). This study aimed to determine if lung ventilation change following radiation therapy was affected by the pre-RT ventilation of the lung. Methods: 13 subjects had three 4DCT scans: two repeat scans acquired before RT and one three months after RT. Regional ventilation was computed using Jacobian determinant calculations on the registered 4DCT images. The post-RT ventilation map was divided by the pre-RT ventilation map to get a voxel-by-voxel Jacobian ratio map depicting ventilation change over the course of RT. Jacobian ratio change was compared over the range of delivered doses. The first pre-RT ventilation image was divided by the second to establish a control for Jacobian ratio change without radiation delivered. The functional change between scans was assessed using histograms of the Jacobian ratios. Results: There were significantly (p 10% expansion) showed a greater response (1.2% reduction/10 Gy). Contiguous high function regions > 1 liter occurred in 11 of 13 subjects. Conclusion: There is a significant change in regional ventilation following a course of radiation therapy. The change in Jacobian following RT is dependent both on the delivered dose and the initial ventilation of the lung tissue: high functioning lung has greater ventilation loss for equivalent radiation doses. Substantial regions of high function lung tissue are prevalent. Research support from NIH grants CA166119 and CA166703, a gift from Roger Koch, and a Pilot Grant from University of Iowa Carver College of Medicine

Adsorption of Ti on LiAlH4 surfaces studied by band structure calculations

International Nuclear Information System (INIS)

Loevvik, O.M.

2004-01-01

LiAlH 4 is a potential light-weight hydrogen storage material if hydrogenation can be made reversible. In NaAlH 4 this may be done by adding small amounts of Ti, but the same effect has not yet been observed in LiAlH 4 . To understand these mechanisms, detailed studies of the materials with and without the additive are necessary. In this study, two-dimensional slabs representing the open (0 1 0) and densely packed (1 0 1) surfaces of LiAlH 4 have been used to model adsorption of titanium atoms on those surfaces. The results show that the Ti atom tends to move below the surface towards interstitial sites rather than binding to a Li ion or AlH 4 complex at the surface

Core Follow Calculation for Palo Verde Unit 1 in Cycles 1 through 4 using DeCART2D/MASTER4.0 Code System

International Nuclear Information System (INIS)

Jeong, Hee Jeong; Choi, Yonghee; Kim, Sungmin; Lee, Kyunghoon

2017-01-01

To verify and validate the DeCART2D/MASTER4.0 design system, core follow calculations of Palo Verde Unit 1(PV-1) in cycles 1 through 4 are performed. The calculation results are compared with the measured data and will be used in the generation of bias and uncertainty factors in the DeCART2D/MASTER4.0 design system. The DeCART2D/MASTER codes system has been developed in KAERI for the PWR (Pressurized water reactors) core design including SMRs (Small Modular Reactors). Core follow calculations of Pale Verde Unit 1 in Cycles 1 through 4 have been performed. Reactivities, assembly powers and startup parameters such as EPC, RW, ITC and IBW are compared with the measured data. This work will be used in the generation of bias and uncertainty factors in DeCART2D/MASTER4.0 design system.

Calculation of neutron fluxes in biological shield of the TRIGA Mark II reactor

International Nuclear Information System (INIS)

Bozic, M.; Zagar, T.; Ravnik, M.

2001-01-01

The complete calculation of neutron fluxes in biological shield and verification with experimental results is presented. Calculated results are obtained with TORT code (TORT-Three Dimensional Oak Ridge Discrete Ordinates Neutron/Photon Transport Code). Experimental results used for comparison are available from irradiation experiment with selected type of concrete and other materials in irradiation channel 4 in TRIGA Mark II reactor. These experimental results were used as a benchmark. Homogeneous type of problem (without inserted irradiation channel) and problem with asymmetry (inserted beam port 4, filled with different materials) were of interest for neutron flux calculation. Deviation from material data set up as original parameters is also considered (first of all presence of water in concrete and density of concrete) for type of concrete in biological shield and for selected type of concrete in irradiation channel. BUGLE-96 (47 neutron energy groups) library is used. Excellent agreement between calculated and experimental results for reaction rate is received.(author)

Higher-dimensional puncture initial data

International Nuclear Information System (INIS)

Zilhao, Miguel; Ansorg, Marcus; Cardoso, Vitor; Gualtieri, Leonardo; Herdeiro, Carlos; Sperhake, Ulrich; Witek, Helvi

2011-01-01

We calculate puncture initial data, corresponding to single and binary black holes with linear momenta, which solve the constraint equations of D-dimensional vacuum gravity. The data are generated by a modification of the pseudospectral code presented in [M. Ansorg, B. Bruegmann, and W. Tichy, Phys. Rev. D 70, 064011 (2004).] and made available as the TwoPunctures thorn inside the Cactus computational toolkit. As examples, we exhibit convergence plots, the violation of the Hamiltonian constraint as well as the initial data for D=4,5,6,7. These initial data are the starting point to perform high-energy collisions of black holes in D dimensions.

User manual for version 4.3 of the Tripoli-4 Monte-Carlo method particle transport computer code

International Nuclear Information System (INIS)

Both, J.P.; Mazzolo, A.; Peneliau, Y.; Petit, O.; Roesslinger, B.

2003-01-01

This manual relates to Version 4.3 TRIPOLI-4 code. TRIPOLI-4 is a computer code simulating the transport of neutrons, photons, electrons and positrons. It can be used for radiation shielding calculations (long-distance propagation with flux attenuation in non-multiplying media) and neutronic calculations (fissile medium, criticality or sub-criticality basis). This makes it possible to calculate k eff (for criticality), flux, currents, reaction rates and multi-group cross-sections. TRIPOLI-4 is a three-dimensional code that uses the Monte-Carlo method. It allows for point-wise description in terms of energy of cross-sections and multi-group homogenized cross-sections and features two modes of geometrical representation: surface and combinatorial. The code uses cross-section libraries in ENDF/B format (such as JEF2-2, ENDF/B-VI and JENDL) for point-wise description cross-sections in APOTRIM format (from the APOLLO2 code) or a format specific to TRIPOLI-4 for multi-group description. (authors)

New calculations for critical assemblies using MCNP4B

International Nuclear Information System (INIS)

Adams, A.A.; Frankle, S.C.; Little, R.C.

1997-07-01

A suite of 41 criticality benchmarks has been modeled using MCNP trademark (version 4B). Most of the assembly specifications were obtained from the Cross Section Evaluation Working Group (CSEWG) and the International Criticality Safety Benchmark Evaluation Project (ICSBEP) compendiums of experimental benchmarks. A few assembly specifications were obtained from experimental papers. The suite contains thermal and fast assemblies, bare and reflected assemblies, and emphasizes 233 U, 235 U, 238 U, and 239 Pu. The values of k eff for each assembly in the suite were calculated using MCNP libraries derived primarily from release 2 of ENDF/B-V and release 2 of ENDF/B-VI. The results show that the new ENDF/B-VI.2 evaluations for H, O, N, B, 235 U, 238 U, and 239 Pu can have a significant impact on the values of k eff . In addition to the integral quantity k eff , several additional experimental measurements were performed and documented. These experimental measurements include central fission and reaction-rate ratios for various isotopes, and neutron leakage and flux spectra. They provide more detailed information about the accuracy of the nuclear data than can k eff . Comparison calculations were performed using both ENDF/B-V.2 and ENDF/B-VI.2-based data libraries. The purpose of this paper is to compare the results of these additional calculations with experimental data, and to use these results to assess the quality of the nuclear data

TMAP4 User`s Manual

Energy Technology Data Exchange (ETDEWEB)

Longhurst, G.R.; Holland, D.F.; Jones, J.L.; Merrill, B.J.

1992-06-12

The Tritium Migration Analysis Program, Version 4 (TMAP4) has been developed by the Fusion Safety Program at the Idaho National Engineering Laboratory (INEL) as a safety analysis code, mainly to analyze tritium retention and loss in fusion reactor structures and systems during normal operation and accident conditions. TMAP4 incorporates one-dimensional thermal- and mass-diffusive transport and trapping calculations through structures and zero dimensional fluid transport between enclosures and across the interface between enclosures and structures. A key feature is the ability to input problem definition parameters as constants, interpolation tables, or FORTRAN equations. The code is specifically intended for use under a DOS operating system on PC-type mini-computers, but it has also been run successfully on workstations and mainframe computer systems. Use of the equation-input feature requires access to a FORTRAN-77 compiler and a linker program.

Pressure drop calculation using a one-dimensional mathematical model for two-phase flow through an orifice

DEFF Research Database (Denmark)

Petkov, K.P.; Puton, M; Madsen, Søren Peder

2014-01-01

are accounted for through both friction and acceleration as in a conventional formulation. However, in this analysis the acceleration term is both attributed geometrical effects through the area change and fluid dynamic effects through the expansion of the two-phase flow. The comparison of numerical...... is a one dimensional formulation in space and the equations incorporates the change in tubes and orifice diameter as formulated in (S. Madsen et.al., Dynamic Modeling of Phase Crossings in Two-Phase Flow, Communications in Computational Physics 12 (4), 1129-1147). The pressure changes in the flow...

User manual for version 4.3 of the Tripoli-4 Monte-Carlo method particle transport computer code; Notice d'utilisation du code Tripoli-4, version 4.3: code de transport de particules par la methode de Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Both, J.P.; Mazzolo, A.; Peneliau, Y.; Petit, O.; Roesslinger, B

2003-07-01

This manual relates to Version 4.3 TRIPOLI-4 code. TRIPOLI-4 is a computer code simulating the transport of neutrons, photons, electrons and positrons. It can be used for radiation shielding calculations (long-distance propagation with flux attenuation in non-multiplying media) and neutronic calculations (fissile medium, criticality or sub-criticality basis). This makes it possible to calculate k{sub eff} (for criticality), flux, currents, reaction rates and multi-group cross-sections. TRIPOLI-4 is a three-dimensional code that uses the Monte-Carlo method. It allows for point-wise description in terms of energy of cross-sections and multi-group homogenized cross-sections and features two modes of geometrical representation: surface and combinatorial. The code uses cross-section libraries in ENDF/B format (such as JEF2-2, ENDF/B-VI and JENDL) for point-wise description cross-sections in APOTRIM format (from the APOLLO2 code) or a format specific to TRIPOLI-4 for multi-group description. (authors)

Biomedical applications of two- and three-dimensional deterministic radiation transport methods

International Nuclear Information System (INIS)

Nigg, D.W.

1992-01-01

Multidimensional deterministic radiation transport methods are routinely used in support of the Boron Neutron Capture Therapy (BNCT) Program at the Idaho National Engineering Laboratory (INEL). Typical applications of two-dimensional discrete-ordinates methods include neutron filter design, as well as phantom dosimetry. The epithermal-neutron filter for BNCT that is currently available at the Brookhaven Medical Research Reactor (BMRR) was designed using such methods. Good agreement between calculated and measured neutron fluxes was observed for this filter. Three-dimensional discrete-ordinates calculations are used routinely for dose-distribution calculations in three-dimensional phantoms placed in the BMRR beam, as well as for treatment planning verification for live canine subjects. Again, good agreement between calculated and measured neutron fluxes and dose levels is obtained

Synchrotron 4-dimensional imaging of two-phase flow through porous media.

Science.gov (United States)

Kim, F H; Penumadu, D; Patel, P; Xiao, X; Garboczi, E J; Moylan, S P; Donmez, M A

2016-01-01

Near real-time visualization of complex two-phase flow in a porous medium was demonstrated with dynamic 4-dimensional (4D) (3D + time) imaging at the 2-BM beam line of the Advanced Photon Source (APS) at Argonne National Laboratory. Advancing fluid fronts through tortuous flow paths and their interactions with sand grains were clearly captured, and formations of air bubbles and capillary bridges were visualized. The intense X-ray photon flux of the synchrotron facility made 4D imaging possible, capturing the dynamic evolution of both solid and fluid phases. Computed Tomography (CT) scans were collected every 12 s with a pixel size of 3.25 µm. The experiment was carried out to improve understanding of the physics associated with two-phase flow. The results provide a source of validation data for numerical simulation codes such as Lattice-Boltzmann, which are used to model multi-phase flow through porous media.

Calculation analysis of Wims/D4-Batan-2DIFF neutron spectrum on RSG-GAS with cadmium ratio

International Nuclear Information System (INIS)

Radianti, I.B.; Zuhair; Hamzah, A.

1998-01-01

The calculation analysis of WIMS/D4-BATAN-2DIFF neutron spectrum was performed by comparison the calculation result of cadmium ratio with the experiment result on CIP, IP2, IP3 and IP4 irradiation positions of RSG GAS tenth core. The foils of Au, Mn and Co were used for determination of the measured and calculated cadmium ratios. Spectrum calculation was done in 69 energy group with 541 energy group (till 10 MeV) cross section of foil absorption reaction. The difference values between cadmium ratio calculation and experiment result for all cases were in interval of 11.0%-26.3% which are out of measurement deviation range. From these result, it concluded that the use of WIM /D4 in generating group constant is not sufficient to obtain the neutron spectrum, especially for non-fuel region

Monte Carlo study of the phase diagram for the two-dimensional Z(4) model

International Nuclear Information System (INIS)

Carneiro, G.M.; Pol, M.E.; Zagury, N.

1982-05-01

The phase diagram of the two-dimensional Z(4) model on a square lattice is determined using a Monte Carlo method. The results of this simulation confirm the general features of the phase diagram predicted theoretically for the ferromagnetic case, and show the existence of a new phase with perpendicular order. (Author) [pt

Comparison of 4-Dimensional Computed Tomography Ventilation With Nuclear Medicine Ventilation-Perfusion Imaging: A Clinical Validation Study

International Nuclear Information System (INIS)

Vinogradskiy, Yevgeniy; Koo, Phillip J.; Castillo, Richard; Castillo, Edward; Guerrero, Thomas; Gaspar, Laurie E.; Miften, Moyed; Kavanagh, Brian D.

2014-01-01

Purpose: Four-dimensional computed tomography (4DCT) ventilation imaging provides lung function information for lung cancer patients undergoing radiation therapy. Before 4DCT-ventilation can be implemented clinically it needs to be validated against an established imaging modality. The purpose of this work was to compare 4DCT-ventilation to nuclear medicine ventilation, using clinically relevant global metrics and radiologist observations. Methods and Materials: Fifteen lung cancer patients with 16 sets of 4DCT and nuclear medicine ventilation-perfusion (VQ) images were used for the study. The VQ-ventilation images were acquired in planar mode using Tc-99m-labeled diethylenetriamine-pentaacetic acid aerosol inhalation. 4DCT data, spatial registration, and a density-change-based model were used to compute a 4DCT-based ventilation map for each patient. The percent ventilation was calculated in each lung and each lung third for both the 4DCT and VQ-ventilation scans. A nuclear medicine radiologist assessed the VQ and 4DCT scans for the presence of ventilation defects. The VQ and 4DCT-based images were compared using regional percent ventilation and radiologist clinical observations. Results: Individual patient examples demonstrate good qualitative agreement between the 4DCT and VQ-ventilation scans. The correlation coefficients were 0.68 and 0.45, using the percent ventilation in each individual lung and lung third, respectively. Using radiologist-noted presence of ventilation defects and receiver operating characteristic analysis, the sensitivity, specificity, and accuracy of the 4DCT-ventilation were 90%, 64%, and 81%, respectively. Conclusions: The current work compared 4DCT with VQ-based ventilation using clinically relevant global metrics and radiologist observations. We found good agreement between the radiologist's assessment of the 4DCT and VQ-ventilation images as well as the percent ventilation in each lung. The agreement lessened when the data were

Precision calculations for γγ → 4 fermions and H → WW/ZZ → 4 fermions

International Nuclear Information System (INIS)

Bredenstein, A.

2006-02-01

In this work we provide precision calculations for the processes γγ → 4 fermions and H → WW/ZZ → 4 fermions. At a γγ collider precise theoretical predictions are needed for the γγ → WW → 4f processes because of their large cross section. These processes allow a measurement of the gauge-boson couplings γWW and γγWW. Furthermore, the reaction γγ → H → WW/ZZ → 4f arises through loops of virtual charged, massive particles. Thus, the coupling γγH can be measured and Higgs bosons with a relatively large mass could be produced. For masses M H >or #sim# 135 GeV the Higgs boson predominantly decays into W- or Z-boson pairs and subsequently into four leptons. The kinematical reconstruction of these decays is influenced by quantum corrections, especially real photon radiation. Since off-shell effects of the gauge bosons have to be taken into account below M H ∼ 2M W/Z , the inclusion of the decays of the gauge bosons is important. In addition, the spin and the CP properties of the Higgs boson can be determined by considering angular and energy distributions of the decay fermions. For a comparison of theoretical predictions with experimental data Monte Carlo generators are useful tools. We construct such programs for the processes γγ → WW → 4f and H → WW/ZZ → 4f. On the one hand, they provide the complete predictions at lowest order of perturbation theory. On the other hand, they contain quantum corrections, which ca be classified into real corrections, connected with photons bremsstrahlung, and virtual corrections. Whereas the virtual quantum corrections to γγ → WW → 4f are calculated in the double-pole approximation, i.e. only doubly-resonant contributions are taken into account, we calculate the complete O(α) corrections for the H → WW/ZZ → 4f processes. The infrared (soft and collinear) divergences in the virtual and real corrections are treated either with the dipole-subtraction method or with the phase-space slicing

Ground-state projection multigrid for propagators in 4-dimensional SU(2) gauge fields

International Nuclear Information System (INIS)

Kalkreuter, T.

1991-09-01

The ground-state projection multigrid method is studied for computations of slowly decaying bosonic propagators in 4-dimensional SU(2) lattice gauge theory. The defining eigenvalue equation for the restriction operator is solved exactly. Although the critical exponent z is not reduced in nontrivial gauge fields, multigrid still yields considerable speedup compared with conventional relaxation. Multigrid is also able to outperform the conjugate gradient algorithm. (orig.)

A Three-Dimensional Statistical Average Skull: Application of Biometric Morphing in Generating Missing Anatomy.

Science.gov (United States)

Teshima, Tara Lynn; Patel, Vaibhav; Mainprize, James G; Edwards, Glenn; Antonyshyn, Oleh M

2015-07-01

The utilization of three-dimensional modeling technology in craniomaxillofacial surgery has grown exponentially during the last decade. Future development, however, is hindered by the lack of a normative three-dimensional anatomic dataset and a statistical mean three-dimensional virtual model. The purpose of this study is to develop and validate a protocol to generate a statistical three-dimensional virtual model based on a normative dataset of adult skulls. Two hundred adult skull CT images were reviewed. The average three-dimensional skull was computed by processing each CT image in the series using thin-plate spline geometric morphometric protocol. Our statistical average three-dimensional skull was validated by reconstructing patient-specific topography in cranial defects. The experiment was repeated 4 times. In each case, computer-generated cranioplasties were compared directly to the original intact skull. The errors describing the difference between the prediction and the original were calculated. A normative database of 33 adult human skulls was collected. Using 21 anthropometric landmark points, a protocol for three-dimensional skull landmarking and data reduction was developed and a statistical average three-dimensional skull was generated. Our results show the root mean square error (RMSE) for restoration of a known defect using the native best match skull, our statistical average skull, and worst match skull was 0.58, 0.74, and 4.4  mm, respectively. The ability to statistically average craniofacial surface topography will be a valuable instrument for deriving missing anatomy in complex craniofacial defects and deficiencies as well as in evaluating morphologic results of surgery.

Synthesis, growth, structural and optical studies of a new organic three dimensional framework: 4-(aminocarbonyl)pyridine 4-(aminocarbonyl)pyridinium hydrogen L-malate

Energy Technology Data Exchange (ETDEWEB)

Vijayalakshmi, A. [Department of Chemistry, RMK. Engineering College, Kavaraipettai 601206 (India); Vidyavathy, B., E-mail: vidyavathybalraj@gmail.com [Department of Chemistry,Velammal Engineering College, Chennai 600066 (India); Peramaiyan, G. [Institute of Physics, Academia Sinica, Taipei 11529, Taiwan (China); Vinitha, G. [Department of Physics, VIT University, Chennai 600127 (India)

2017-02-15

4-(aminocarbonyl)pyridine 4-(aminocarbonyl)pyridinium hydrogen L-malate [(4ACP)(4ACP).(LM)] a new organic nonlinear optical (NLO) crystal was grown by the slow evaporation method. Single crystal X-ray diffraction analysis revealed that the [(4ACP)(4ACP).(LM)] crystal belongs to monoclinic crystal system, space group P2{sub 1}/n, with a three dimensional network. Thermogravimetry (TG) and differential thermal (DT) analyses showed that [(4ACP)(4ACP).(LM)] is thermally stable up to 165 °C. The optical transmittance window and the lower cut-off wavelength of [(4ACP)(4ACP).(LM)] were found out by UV–vis–NIR spectral study. The molecular structure of [(4ACP)(4ACP).(LM)] was further confirmed by FTIR spectral studies. The relative dielectric permittivity and dielectric loss were determined as function of frequency and temperature. The third order nonlinear optical property of [(4ACP)(4ACP).(LM)] was studied by the Z-scan technique using a 532 nm diode pumped CW Nd:YAG laser. Nonlinear refractive index, nonlinear absorption coefficient and third order nonlinear susceptibility of the grown crystal were found to be 7.38×10{sup −8} cm{sup 2}/W, 0.08×10{sup −4} cm/W and 5.36×10{sup −6} esu, respectively. The laser damage threshold value is found to be 1.75 GW/cm{sup 2} - Graphical abstract: In the crystal structure of the title complex, the asymmetric unit contains one hydrogen L-malate anion, 4-(aminocarbonyl)pyridinium cation and a neutral isonicotinamide molecule. It is stabilized by intermolecular N-H…O, C-H…O and O-H…O hydrogen bonds which generate a three dimensional network.

Collision probability in two-dimensional lattice by ray-trace method and its applications to cell calculations

International Nuclear Information System (INIS)

Tsuchihashi, Keichiro

1985-03-01

A series of formulations to evaluate collision probability for multi-region cells expressed by either of three one-dimensional coordinate systems (plane, sphere and cylinder) or by the general two-dimensional cylindrical coordinate system is presented. They are expressed in a suitable form to have a common numerical process named ''Ray-Trace'' method. Applications of the collision probability method to two optional treatments for the resonance absorption are presented. One is a modified table-look-up method based on the intermediate resonance approximation, and the other is a rigorous method to calculate the resonance absorption in a multi-region cell in which nearly continuous energy spectra of the resonance neutron range can be solved and interaction effect between different resonance nuclides can be evaluated. Two works on resonance absorption in a doubly heterogeneous system with grain structure are presented. First, the effect of a random distribution of particles embedded in graphite diluent on the resonance integral is studied. Next, the ''Accretion'' method proposed by Leslie and Jonsson to define the collision probability in a doubly heterogeneous system is applied to evaluate the resonance absorption in coated particles dispersed in fuel pellet of the HTGR. Several optional models are proposed to define the collision rates in the medium with the microscopic heterogeneity. By making use of the collision probability method developed by the present study, the JAERI thermal reactor standard nuclear design code system SRAC has been developed. Results of several benchmark tests for the SRAC are presented. The analyses of critical experiments of the SHE, DCA, and FNR show good agreement of critical masses with their experimental values. (J.P.N.)

Nuclear data preparation and discrete ordinates calculation

International Nuclear Information System (INIS)

Carmignani, B.

1980-01-01

These lectures deal with the use of the GAM-GATHER and GAM-THERMOS chains for the calculation of lattice cross sections and within use of the discrete ordinates one dimensional ANISN code for the calculation of criticality and flux distribution of the cell and of the whole reactor. As an example the codes are applied to the calculation of a PWR. Results of different approximations are compared. (author)

Hydrothermal synthesis and characterization of a two-dimensional piperazinium cobalt–zinc phosphate via a metastable one-dimensional phase

Energy Technology Data Exchange (ETDEWEB)

Torre-Fernández, Laura; Khainakova, Olena A. [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, 33006 Oviedo (Spain); Espina, Aránzazu [Servicios Científico Técnicos, Universidad de Oviedo, 33006 Oviedo (Spain); Amghouz, Zakariae, E-mail: amghouz.uo@uniovi.es [Servicios Científico Técnicos, Universidad de Oviedo, 33006 Oviedo (Spain); Khainakov, Sergei A. [Servicios Científico Técnicos, Universidad de Oviedo, 33006 Oviedo (Spain); Alfonso, Belén F.; Blanco, Jesús A. [Departamento de Física, Universidad de Oviedo, 33007 Oviedo (Spain); García, José R.; García-Granda, Santiago [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, 33006 Oviedo (Spain)

2015-05-15

A two-dimensional piperazinium cobalt–zinc phosphate, formulated as (C{sub 4}N{sub 2}H{sub 12}){sub 1.5}(Co{sub 0.6}Zn{sub 0.4}){sub 2}(HPO{sub 4}){sub 2}(PO{sub 4})·H{sub 2}O (2D), was synthesized under hydrothermal conditions. The crystal structure was determined using single-crystal X-ray diffraction data (monoclinic P2{sub 1}/c, a=8.1165(3) Å, b=26.2301(10) Å, c=8.3595(4) Å, and β=110.930(5)°) and the hydrogen atom positions were optimized by DFT calculations. A single-crystal corresponding to one-dimensional metastable phase, (C{sub 4}N{sub 2}H{sub 12})Co{sub 0.3}Zn{sub 0.7}(HPO{sub 4}){sub 2}·H{sub 2}O (1D), was also isolated and the crystal structure was determined (monoclinic P2{sub 1}/c, a=8.9120(6) Å, b=14.0290(1) Å, c=12.2494(5) Å, and β=130.884(6)°). The bulk was characterized by chemical (C–H–N) analysis, powder X-ray diffraction (PXRD), powder X-ray thermodiffractometry (HT-XRD), transmission electron microscopy (STEM(DF)-EDX and EFTEM), and thermal analysis (TG/SDTA-MS), including activation energy data of its thermal decomposition. The magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Graphical abstract: Hydrothermal synthesis and structural characterization of a two-dimensional piperazinium cobalt–zinc phosphate, (C{sub 4}N{sub 2}H{sub 12}){sub 1.5}(Co{sub 0.6}Zn{sub 0.4}){sub 2}(HPO{sub 4}){sub 2}(PO{sub 4})·H{sub 2}O (2D), have been reported. The crystal structure of a one-dimensional piperazinium cobalt–zinc phosphate, (C{sub 4}N{sub 2}H{sub 12})Co{sub 0.3}Zn{sub 0.7}(HPO{sub 4}){sub 2}·H{sub 2}O (1D) a metastable phase during the hydrothermal synthesis, was also determined. The thermal behavior of 2D compound is strongly dependent on the selected heating rate and the magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Highlights: • A 2D piperazinium cobalt–zinc phosphate has been synthesized and characterized. • Crystal

Uncertainty Quantification of Calculated Temperatures for the AGR 3/4 Experiment

International Nuclear Information System (INIS)

Pham, Binh Thi-Cam

2015-01-01

A series of Advanced Gas Reactor (AGR) irradiation experiments are being conducted within the Advanced Reactor Technology (ART) Fuel Development and Qualification Program. The main objectives of the fuel experimental campaign are to provide the necessary data on fuel performance to support fuel process development, qualify a fuel design and fabrication process for normal operation and accident conditions, and support development and validation of fuel performance and fission product transport models and codes (PLN 3636, 'Technical Program Plan for INL Advanced Reactor Technologies Technology Development Office/Advanced Gas Reactor Fuel Development and Qualification Program'). The AGR 3/4 test was inserted in the Northeast Flux Trap position in the Advanced Test Reactor (ATR) core at Idaho National Laboratory (INL) in December 2011 and successfully completed irradiation in mid-April 2014, resulting in irradiation of the tristructural isotropic (TRISO) fuel for 369.1 effective full-power days (EFPDs) during approximately 2.4 calendar years. The AGR 3/4 data, including the irradiation data and calculated results, were qualified and stored in the Nuclear Data Management and Analysis System (NDMAS). To support the U.S. TRISO fuel performance assessment and to provide data for validation of fuel performance and fission product transport models and codes, the daily as run thermal analysis has been performed separately on each of twelve AGR 3/4 capsules for the entire irradiation as discussed in ECAR-2807, 'AGR 3/4 Daily As Run Thermal Analyses'. The ABAQUS code's finite element-based thermal model predicts the daily average volume average (VA) fuel temperature (FT), peak FT, and graphite matrix, sleeve, and sink temperature in each capsule. The JMOCUP simulation codes were also created to perform depletion calculations for the AGR 3/4 experiment (ECAR-2753, 'JMOCUP As-Run Daily Physics Depletion Calculation for the AGR 3/4 TRISO Particle

Uncertainty Quantification of Calculated Temperatures for the AGR 3/4 Experiment

Energy Technology Data Exchange (ETDEWEB)

Pham, Binh Thi-Cam [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2015-09-01

A series of Advanced Gas Reactor (AGR) irradiation experiments are being conducted within the Advanced Reactor Technology (ART) Fuel Development and Qualification Program. The main objectives of the fuel experimental campaign are to provide the necessary data on fuel performance to support fuel process development, qualify a fuel design and fabrication process for normal operation and accident conditions, and support development and validation of fuel performance and fission product transport models and codes (PLN 3636, “Technical Program Plan for INL Advanced Reactor Technologies Technology Development Office/Advanced Gas Reactor Fuel Development and Qualification Program”). The AGR 3/4 test was inserted in the Northeast Flux Trap position in the Advanced Test Reactor (ATR) core at Idaho National Laboratory (INL) in December 2011 and successfully completed irradiation in mid-April 2014, resulting in irradiation of the tristructural isotropic (TRISO) fuel for 369.1 effective full-power days (EFPDs) during approximately 2.4 calendar years. The AGR 3/4 data, including the irradiation data and calculated results, were qualified and stored in the Nuclear Data Management and Analysis System (NDMAS). To support the U.S. TRISO fuel performance assessment and to provide data for validation of fuel performance and fission product transport models and codes, the daily as run thermal analysis has been performed separately on each of twelve AGR 3/4 capsules for the entire irradiation as discussed in ECAR-2807, “AGR 3/4 Daily As Run Thermal Analyses”. The ABAQUS code’s finite element-based thermal model predicts the daily average volume average (VA) fuel temperature (FT), peak FT, and graphite matrix, sleeve, and sink temperature in each capsule. The JMOCUP simulation codes were also created to perform depletion calculations for the AGR 3/4 experiment (ECAR-2753, “JMOCUP As-Run Daily Physics Depletion Calculation for the AGR 3/4 TRISO Particle Experiment in ATR

Microscopic theory of the superconducting gap in the quasi-one-dimensional organic conductor (TMTSF) 2ClO4 : Model derivation and two-particle self-consistent analysis

Science.gov (United States)

Aizawa, Hirohito; Kuroki, Kazuhiko

2018-03-01

We present a first-principles band calculation for the quasi-one-dimensional (Q1D) organic superconductor (TMTSF) 2ClO4 . An effective tight-binding model with the TMTSF molecule to be regarded as the site is derived from a calculation based on maximally localized Wannier orbitals. We apply a two-particle self-consistent (TPSC) analysis by using a four-site Hubbard model, which is composed of the tight-binding model and an onsite (intramolecular) repulsive interaction, which serves as a variable parameter. We assume that the pairing mechanism is mediated by the spin fluctuation, and the sign of the superconducting gap changes between the inner and outer Fermi surfaces, which correspond to a d -wave gap function in a simplified Q1D model. With the parameters we adopt, the critical temperature for superconductivity estimated by the TPSC approach is approximately 1 K, which is consistent with experiment.

Ab initio calculation of the electronic structure and spectroscopic properties of spinel γ-Sn3N4

International Nuclear Information System (INIS)

Ching, W. Y.; Rulis, Paul

2006-01-01

The electronic structure and physical properties of γ-Sn 3 N 4 in the spinel structure are investigated by first-principles calculations. The calculated band structure, electronic bonding, and optical properties are compared with two well-studied spinel nitrides γ-Si 3 N 4 and γ-Ge 3 N 4 . γ-Sn 3 N 4 is a semiconductor with a direct band gap of 1.40 eV and an attractive small electron effective mass of 0.17. Its optical properties are different from that of γ-Si 3 N 4 and γ-Ge 3 N 4 because of the difference in the conduction band minimum. The Sn K, Sn L 3 , Sn M 5 , and N K edges of the x-ray-absorption near-edge structure spectra in γ-Sn 3 N 4 are calculated using a supercell approach and are found to be rich in structures. These spectra are discussed in the context of the electronic structure of the unoccupied conduction band in the presence of the electron core-hole interaction. These calculated spectra can be used for the characterization of this novel compound

False vacuum decay in quantum mechanics and four dimensional scalar field theory

Science.gov (United States)

Bezuglov, Maxim

2018-04-01

When the Higgs boson was discovered in 2012 it was realized that electroweak vacuum may suffer a possible metastability on the Planck scale and can eventually decay. To understand this problem it is important to have reliable predictions for the vacuum decay rate within the framework of quantum field theory. For now, it can only be done at one loop level, which is apparently is not enough. The aim of this work is to develop a technique for the calculation of two and higher order radiative corrections to the false vacuum decay rate in the framework of four dimensional scalar quantum field theory and then apply it to the case of the Standard Model. To achieve this goal, we first start from the case of d=1 dimensional QFT i.e. quantum mechanics. We show that for some potentials two and three loop corrections can be very important and must be taken into account. Next, we use quantum mechanical example as a template for the general d=4 dimensional theory. In it we are concentrating on the calculations of bounce solution and corresponding Green function in so called thin wall approximation. The obtained Green function is then used as a main ingredient for the calculation of two loop radiative corrections to the false vacuum decay rate.

CT-based dose calculations and in vivo dosimetry for lung cancer treatment

International Nuclear Information System (INIS)

Essers, M.; Lanson, J.H.; Leunens, G.; Schnabel, T.; Mijnheer, B.J.

1995-01-01

Reliable CT-based dose calculations and dosimetric quality control are essential for the introduction of new conformal techniques for the treatment of lung cancer. The first aim of this study was therefore to check the accuracy of dose calculations based on CT-densities, using a simple inhomogeneity correction model, for lung cancer patients irradiated with an AP-PA treatment technique. Second, the use of diodes for absolute exit dose measurements and an Electronic Portal Imaging Device (EPID) for relative transmission dose verification was investigated for 22 and 12 patients, respectively. The measured dose values were compared with calculations performed using our 3-dimensional treatment planning system, using CT-densities or assuming the patient to be water-equivalent. Using water-equivalent calculations, the actual exit dose value under lung was, on average, underestimated by 30%, with an overall spread of 10% (1 SD). Using inhomogeneity corrections, the exit dose was, on average, overestimated by 4%, with an overall spread of 6% (1 SD). Only 2% of the average deviation was due to the inhomogeneity correction model. An uncertainty in exit dose calculation of 2.5% (1 SD) could be explained by organ motion, resulting from the ventilatory or cardiac cycle. The most important reason for the large overall spread was, however, the uncertainty involved in performing point measurements: about 4% (1 SD). This difference resulted from the systematic and random deviation in patient set-up and therefore in diode position with respect to patient anatomy. Transmission and exit dose values agreed with an average difference of 1.1%. Transmission dose profiles also showed good agreement with calculated exit dose profiles. Our study shows that, for this treatment technique, the dose in the thorax region is quite accurately predicted using CT-based dose calculations, even if a simple inhomogeneity correction model is used. Point detectors such as diodes are not suitable for exit

Two-dimensional thermofield bosonization

International Nuclear Information System (INIS)

Amaral, R.L.P.G.; Belvedere, L.V.; Rothe, K.D.

2005-01-01

The main objective of this paper was to obtain an operator realization for the bosonization of fermions in 1 + 1 dimensions, at finite, non-zero temperature T. This is achieved in the framework of the real-time formalism of Thermofield Dynamics. Formally, the results parallel those of the T = 0 case. The well-known two-dimensional Fermion-Boson correspondences at zero temperature are shown to hold also at finite temperature. To emphasize the usefulness of the operator realization for handling a large class of two-dimensional quantum field-theoretic problems, we contrast this global approach with the cumbersome calculation of the fermion-current two-point function in the imaginary-time formalism and real-time formalisms. The calculations also illustrate the very different ways in which the transmutation from Fermi-Dirac to Bose-Einstein statistics is realized

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

Microdosimetry calculations for monoenergetic electrons using Geant4-DNA combined with a weighted track sampling algorithm.

Science.gov (United States)

Famulari, Gabriel; Pater, Piotr; Enger, Shirin A

2017-07-07

The aim of this study was to calculate microdosimetric distributions for low energy electrons simulated using the Monte Carlo track structure code Geant4-DNA. Tracks for monoenergetic electrons with kinetic energies ranging from 100 eV to 1 MeV were simulated in an infinite spherical water phantom using the Geant4-DNA extension included in Geant4 toolkit version 10.2 (patch 02). The microdosimetric distributions were obtained through random sampling of transfer points and overlaying scoring volumes within the associated volume of the tracks. Relative frequency distributions of energy deposition f(>E)/f(>0) and dose mean lineal energy ([Formula: see text]) values were calculated in nanometer-sized spherical and cylindrical targets. The effects of scoring volume and scoring techniques were examined. The results were compared with published data generated using MOCA8B and KURBUC. Geant4-DNA produces a lower frequency of higher energy deposits than MOCA8B. The [Formula: see text] values calculated with Geant4-DNA are smaller than those calculated using MOCA8B and KURBUC. The differences are mainly due to the lower ionization and excitation cross sections of Geant4-DNA for low energy electrons. To a lesser extent, discrepancies can also be attributed to the implementation in this study of a new and fast scoring technique that differs from that used in previous studies. For the same mean chord length ([Formula: see text]), the [Formula: see text] calculated in cylindrical volumes are larger than those calculated in spherical volumes. The discrepancies due to cross sections and scoring geometries increase with decreasing scoring site dimensions. A new set of [Formula: see text] values has been presented for monoenergetic electrons using a fast track sampling algorithm and the most recent physics models implemented in Geant4-DNA. This dataset can be combined with primary electron spectra to predict the radiation quality of photon and electron beams.

Towards 4-loop NSPT result for a 3-dimensional condensate-contribution to hot QCD pressure

CERN Document Server

Torrero, C.; Schroder, Y.; Di Renzo, F.; Miccio, V.

2007-01-01

Thanks to dimensional reduction, the contributions to the hot QCD pressure coming from so-called soft modes can be studied via an effective three-dimensional theory named Electrostatic QCD (spatial Yang-Mills fields plus an adjoint Higgs scalar). The poor convergence of the perturbative series within EQCD suggests to perform lattice measurements of some of the associated gluon condensates. These turn out, however, to be plagued by large discretization artifacts. We discuss how Numerical Stochastic Perturbation Theory can be exploited to determine the full lattice spacing dependence of one of these condensates up to 4-loop order, and sharpen our tools on a concrete 2-loop example.

Two-dimensional analytical solution for nodal calculation of nuclear reactors

International Nuclear Information System (INIS)

Silva, Adilson C.; Pessoa, Paulo O.; Silva, Fernando C.; Martinez, Aquilino S.

2017-01-01

Highlights: • A proposal for a coarse mesh nodal method is presented. • The proposal uses the analytical solution of the two-dimensional neutrons diffusion equation. • The solution is performed homogeneous nodes with dimensions of the fuel assembly. • The solution uses four average fluxes on the node surfaces as boundary conditions. • The results show good accuracy and efficiency. - Abstract: In this paper, the two-dimensional (2D) neutron diffusion equation is analytically solved for two energy groups (2G). The spatial domain of reactor core is divided into a set of nodes with uniform nuclear parameters. To determine iteratively the multiplication factor and the neutron flux in the reactor we combine the analytical solution of the neutron diffusion equation with an iterative method known as power method. The analytical solution for different types of regions that compose the reactor is obtained, such as fuel and reflector regions. Four average fluxes in the node surfaces are used as boundary conditions for analytical solution. Discontinuity factors on the node surfaces derived from the homogenization process are applied to maintain averages reaction rates and the net current in the fuel assembly (FA). To validate the results obtained by the analytical solution a relative power density distribution in the FAs is determined from the neutron flux distribution and compared with the reference values. The results show good accuracy and efficiency.

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

International Nuclear Information System (INIS)

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

1999-01-01

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

AUS diffusion module POW checkout - 1- and 2-dimensional kinetics calculations

International Nuclear Information System (INIS)

Pollard, J.P.

1977-01-01

POW is the diffusion module 'workhorse' of the AUS reactor neutronics modular code system; its steady state calculations have been checked out against other diffusion codes (particularly CRAM and GOG). Checkout of kinetic aspects, however, is difficult as kinetic codes are not freely available. In this report POW has been checked against three benchmark calculations as well as a calculation on the 100 KW Argonaut reactor Moata. (author)

Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. III. Representations and calculations.

Science.gov (United States)

Poirier, Bill; Salam, A

2004-07-22

In a previous paper [J. Theo. Comput. Chem. 2, 65 (2003)], one of the authors (B.P.) presented a method for solving the multidimensional Schrodinger equation, using modified Wilson-Daubechies wavelets, and a simple phase space truncation scheme. Unprecedented numerical efficiency was achieved, enabling a ten-dimensional calculation of nearly 600 eigenvalues to be performed using direct matrix diagonalization techniques. In a second paper [J. Chem. Phys. 121, 1690 (2004)], and in this paper, we extend and elaborate upon the previous work in several important ways. The second paper focuses on construction and optimization of the wavelength functions, from theoretical and numerical viewpoints, and also examines their localization. This paper deals with their use in representations and eigenproblem calculations, which are extended to 15-dimensional systems. Even higher dimensionalities are possible using more sophisticated linear algebra techniques. This approach is ideally suited to rovibrational spectroscopy applications, but can be used in any context where differential equations are involved.

The 2-dimensional O(4) symmetric Heisenberg ferromagnet in terms of rotation invariant variables

International Nuclear Information System (INIS)

Holtkamp, A.

1981-09-01

After introduction of rotation invariant auxiliary variables, the integration over all rotation variant variables (spins) in the 0(4) symmetric two-dimensional Heisenberg ferromagnet can be performed. The resulting new Hamiltonian involves a sum over closed loops. It is complex and invariant under U(1) gauge transformations. Ruehl's boson representation is used to derive the result. (orig.)

Uncertainty Evaluation with Multi-Dimensional Model of LBLOCA in OPR1000 Plant

Energy Technology Data Exchange (ETDEWEB)

Kim, Jieun; Oh, Deog Yeon; Seul, Kwang-Won; Lee, Jin Ho [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

2016-10-15

KINS has used KINS-REM (KINS-Realistic Evaluation Methodology) which developed for Best- Estimate (BE) calculation and uncertainty quantification for regulatory audit. This methodology has been improved continuously by numerous studies, such as uncertainty parameters and uncertainty ranges. In this study, to evaluate the applicability of improved KINS-REM for OPR1000 plant, uncertainty evaluation with multi-dimensional model for confirming multi-dimensional phenomena was conducted with MARS-KS code. In this study, the uncertainty evaluation with multi- dimensional model of OPR1000 plant was conducted for confirming the applicability of improved KINS- REM The reactor vessel modeled using MULTID component of MARS-KS code, and total 29 uncertainty parameters were considered by 124 sampled calculations. Through 124 calculations using Mosaique program with MARS-KS code, peak cladding temperature was calculated and final PCT was determined by the 3rd order Wilks' formula. The uncertainty parameters which has strong influence were investigated by Pearson coefficient analysis. They were mostly related with plant operation and fuel material properties. Evaluation results through the 124 calculations and sensitivity analysis show that improved KINS-REM could be reasonably applicable for uncertainty evaluation with multi-dimensional model calculations of OPR1000 plants.

Analysis of kyoto university reactor physics critical experiments using NCNSRC calculation methodology

International Nuclear Information System (INIS)

Amin, E.; Hathout, A.M.; Shouman, S.

1997-01-01

The kyoto university reactor physics experiments on the university critical assembly is used to benchmark validate the NCNSRC calculations methodology. This methodology has two lines, diffusion and Monte Carlo. The diffusion line includes the codes WIMSD4 for cell calculations and the two dimensional diffusion code DIXY2 for core calculations. The transport line uses the MULTIKENO-Code vax Version. Analysis is performed for the criticality, and the temperature coefficients of reactivity (TCR) for the light water moderated and reflected cores, of the different cores utilized in the experiments. The results of both Eigen value and TCR approximately reproduced the experimental and theoretical Kyoto results. However, some conclusions are drawn about the adequacy of the standard wimsd4 library. This paper is an extension of the NCNSRC efforts to assess and validate computer tools and methods for both Et-R R-1 and Et-MMpr-2 research reactors. 7 figs., 1 tab

Three-dimensional power Doppler sonography: imaging and quantifying blood flow and vascularization.

Science.gov (United States)

Pairleitner, H; Steiner, H; Hasenoehrl, G; Staudach, A

1999-08-01

To assess the feasibility of imaging low-velocity blood flow in adnexal masses by transvaginal three-dimensional power Doppler sonography, to analyze three-dimensional power Doppler sonography data sets with a new computer-assisted method and to test the reproducibility of the technique. A commercially available 5-MHz Combison 530 ultrasound system was used to perform three-dimensional power Doppler sonography transvaginally. A cube (= volume of interest) was defined enclosing the vessels of the cyst and the Cartesian characteristics were stored on a hard disk. This cube was analyzed using specially designed software. Five indices representing vascularization (the vascularization index (VI) or blood flow (the flow index (FI)) or both (the vascularization-flow index (VFI)) were calculated. The intraobserver repeatability of cube definition and scan repetition was assessed using Hartley's test for homogeneous variances. Interobserver agreement was assessed by the Pearson correlation coefficient. Imaging of vessels with low-velocity blood flow by three-dimensional power Doppler sonography and cube definition was possible in all adnexal massed studied. In some cases even induced non-vascular flow related to endometriosis was detected. The calculated F value with intraobserver repeated Cartesian file-saving ranged from 0 to 18.8, with intraobserver scan repetition from 4.74 to 24.8 for VI, FI 1, FI 2 and VFI 1; for VFI 2 the calculated F value was 64. The interobserver correlation coefficient ranged between 0.83 and 0.92 for VI, FI 1, FI 2 and VFI 1; for VFI 2 the correlation coefficient was less than 0.75. Vessels with low-velocity blood flow can be imaged using three-dimensional power Doppler sonography. Induced non-vascular flow was detected in endometriotic cyst fluid. Three-dimensional power Doppler sonography combined with the cube method gave reproducible information for all indices except VFI 2. These indices might prove to be a new predictor in all fields of

Hydrogen-bonded Three-Dimensional Networks Encapsulating One-dimensional Covalent Chains: [Cu(3-ampy)(H2O)4](SO4)·(H2O) (3-ampy = 3-Aminopyridine)

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

A three-dimensional complex [Cu(3-ampy)(H2O)4](SO4)·(H2O) (3-ampy = 3-aminopyridine) has been synthesized. Crystallographic data: C5H16CuN2O9S, Mr = 343.80, triclinic, space group P, a = 7.675(2), b = 8.225(3), c = 10.845(3) (A), α= 86.996(4), β = 76.292(4),γ = 68.890(4)°, V = 620.0(3) (A)3, Z = 2, Dc = 1.841 g/cm3, F(000) = 354 and μ = 1.971 mm-1. The structure was refined to R = 0.0269 and wR = 0.0659 for 1838 observed reflections (I ＞ 2σ(Ⅰ)). The structure consists of [Cu(3-ampy)(H2O)4]2+ cations, SO42- anions and lattice water molecules. 3-Ampy acting as a bidentate bridging ligand generates a 1D covalent chain. A supramolecular 2D framework is formed through π-π stacking of pyridine rings. The lattice water molecules and SO42- anions are located between the adjacent 2D frameworks. The hydrogen bonding interactions from lattice water molecules and SO42- anions to coordinate water extend the 2D framework into a 3D network.

Bandgap calculation of two-dimensional mixed solid-fluid phononic crystals by Dirichlet-to-Neumann maps

International Nuclear Information System (INIS)

Li Fenglian; Wang Yuesheng; Zhang Chuanzeng

2011-01-01

A numerical method based on the Dirichlet-to-Neumann (DtN) map is presented to compute the bandgaps of two-dimensional phononic crystals, which are composed of square or triangular lattices of circular solid cylinders in a fluid matrix. The DtN map is constructed using the cylindrical wave expansion in a unit cell. A linear eigenvalue problem, which depends on the Bloch wave vector and involves relatively small matrices, is formulated. Numerical calculations are performed for typical systems with various acoustic impedance ratios of the solid inclusions and the fluid matrix. The results indicate that the DtN-map based method can provide accurate results for various systems efficiently. In particular it takes into account the fluid-solid interface conditions and the transverse wave mode in the solid component, which has been proven to be significant when the acoustic impedance of the solid inclusions is close to or smaller than that of the fluid matrix. For systems with an acoustic impedance of the inclusion much less than that of the matrix, physical flat bands appear in the band structures, which will be missed if the transverse wave mode in the solid inclusions is neglected.

Estimated Visualization of Dose Calculation with GEANT4 in Medical Linac

International Nuclear Information System (INIS)

Kim, Jhin Kee; Kim, Bu Gil; Lee, Jeong Ok; Kang, Jeong Ku; Oh, Young Kee; Jeong, Dong Hyeok; Kim, Jeong Kee

2011-01-01

Geant4 is a toolkit used to simulate the pass age of particles through matter. Recently, it has been used in many medical physics applications. In radiotherapy, positron emission tomography, and magnetic resonance tomography, Geant4 has been applied to accurately simulate the propagation of particles and the interaction of particles, not only with medical devices, but also with patient's phantoms.1,2 Many researchers try to use patient's image data to calculate the dose. The use of DICOM images files to simulate is desired. We construct detector with parameterized volume for Geant4 simulations, which can be applied to simulations using DICOM data as the input.We try to apply this code to the patient's DICOM images to simulate the propagation and interaction of the particles. So we can calculate the absorbed dose of the patient. In this study, the used visualization tool is called gMocren. The purpose of the present paper is to verify a volume visualization tool that simultaneously displays both the complex patient data and the simulated dose distribution with real patient's DICOM data. We applied a volume visualization tool for GEANT4 simulation. We developed to create the each voxel's dose tables of the every slices and review the distribution with DICOM file, gMocren is very convenience tool but provide only qualitative analysis. We need more enhanced functions to display contour like RTP and utility program to create dose table in every points.

Carbon-ion scanning lung treatment planning with respiratory-gated phase-controlled rescanning: simulation study using 4-dimensional CT data.

Science.gov (United States)

Takahashi, Wataru; Mori, Shinichiro; Nakajima, Mio; Yamamoto, Naoyoshi; Inaniwa, Taku; Furukawa, Takuji; Shirai, Toshiyuki; Noda, Koji; Nakagawa, Keiichi; Kamada, Tadashi

2014-11-11

To moving lung tumors, we applied a respiratory-gated strategy to carbon-ion pencil beam scanning with multiple phase-controlled rescanning (PCR). In this simulation study, we quantitatively evaluated dose distributions based on 4-dimensional CT (4DCT) treatment planning. Volumetric 4DCTs were acquired for 14 patients with lung tumors. Gross tumor volume, clinical target volume (CTV) and organs at risk (OARs) were delineated. Field-specific target volumes (FTVs) were calculated, and 48Gy(RBE) in a single fraction was prescribed to the FTVs delivered from four beam angles. The dose assessment metrics were quantified by changing the number of PCR and the results for the ungated and gated scenarios were then compared. For the ungated strategy, the mean dose delivered to 95% of the volume of the CTV (CTV-D95) was in average 45.3 ± 0.9 Gy(RBE) even with a single rescanning (1 × PCR). Using 4 × PCR or more achieved adequate target coverage (CTV-D95 = 46.6 ± 0.3 Gy(RBE) for ungated 4 × PCR) and excellent dose homogeneity (homogeneity index =1.0 ± 0.2% for ungated 4 × PCR). Applying respiratory gating, percentage of lung receiving at least 20 Gy(RBE) (lung-V20) and heart maximal dose, averaged over all patients, significantly decreased by 12% (p lung tumors without gating. The use of a respiratory-gated strategy in combination with PCR reduced excessive doses to OARs.

Comment on "Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit".

Science.gov (United States)

Carrillo-Bernal, M A; Núñez-Yépez, H N; Salas-Brito, A L; Solis, Didier A

2015-02-01

In the referred paper, the authors use a numerical method for solving ordinary differential equations and a softened Coulomb potential -1/√[x(2)+β(2)] to study the one-dimensional Coulomb problem by approaching the parameter β to zero. We note that even though their numerical findings in the soft potential scenario are correct, their conclusions do not extend to the one-dimensional Coulomb problem (β=0). Their claims regarding the possible existence of an even ground state with energy -∞ with a Dirac-δ eigenfunction and of well-defined parity eigenfunctions in the one-dimensional hydrogen atom are questioned.

Low dimensionality semiconductors: modelling of excitons via a fractional-dimensional space

Science.gov (United States)

Christol, P.; Lefebvre, P.; Mathieu, H.

1993-09-01

An interaction space with a fractionnal dimension is used to calculate in a simple way the binding energies of excitons confined in quantum wells, superlattices and quantum well wires. A very simple formulation provides this energy versus the non-integer dimensionality of the physical environment of the electron-hole pair. The problem then comes to determining the dimensionality α. We show that the latter can be expressed from the characteristics of the microstructure. α continuously varies from 3 (bulk material) to 2 for quantum wells and superlattices, and from 3 to 1 for quantum well wires. Quite a fair agreement is obtained with other theoretical calculations and experimental data, and this model coherently describes both three-dimensional limiting cases for quantum wells (L_wrightarrow 0 and L_wrightarrow infty) and the whole range of periods of the superlattice. Such a simple model presents a great interest for spectroscopists though it does not aim to compete with accurate but often tedious variational calculations. Nous utilisons un espace des interactions doté d'une dimension fractionnaire pour calculer simplement l'énergie de liaison des excitons confinés dans les puits quantiques, superréseaux et fils quantiques. Une formulation très simple donne cette énergie en fonction de la dimensionalité non-entière de l'environnement physique de la paire électron-trou. Le problème revient alors à déterminer cette dimensionalité α, dont nous montrons qu'une expression peut être déduite des caractéristiques de la microstructure. α varie continûment de 3 (matériau massif) à 2 pour un puits quantique ou un superréseau, et de 3 à 1 pour un fil quantique, selon le confinement du mouvement des porteurs. Les comparaisons avec d'autres calculs théoriques et données expérimentales sont toujours très convenables, et cette théorie décrit d'une façon cohérente les limites tridimensionnelles du puits quantique (L_wrightarrow 0 et L

Efficient voxel navigation for proton therapy dose calculation in TOPAS and Geant4

Science.gov (United States)

Schümann, J.; Paganetti, H.; Shin, J.; Faddegon, B.; Perl, J.

2012-06-01

A key task within all Monte Carlo particle transport codes is ‘navigation’, the calculation to determine at each particle step what volume the particle may be leaving and what volume the particle may be entering. Navigation should be optimized to the specific geometry at hand. For patient dose calculation, this geometry generally involves voxelized computed tomography (CT) data. We investigated the efficiency of navigation algorithms on currently available voxel geometry parameterizations in the Monte Carlo simulation package Geant4: G4VPVParameterisation, G4VNestedParameterisation and G4PhantomParameterisation, the last with and without boundary skipping, a method where neighboring voxels with the same Hounsfield unit are combined into one larger voxel. A fourth parameterization approach (MGHParameterization), developed in-house before the latter two parameterizations became available in Geant4, was also included in this study. All simulations were performed using TOPAS, a tool for particle simulations layered on top of Geant4. Runtime comparisons were made on three distinct patient CT data sets: a head and neck, a liver and a prostate patient. We included an additional version of these three patients where all voxels, including the air voxels outside of the patient, were uniformly set to water in the runtime study. The G4VPVParameterisation offers two optimization options. One option has a 60-150 times slower simulation speed. The other is compatible in speed but requires 15-19 times more memory compared to the other parameterizations. We found the average CPU time used for the simulation relative to G4VNestedParameterisation to be 1.014 for G4PhantomParameterisation without boundary skipping and 1.015 for MGHParameterization. The average runtime ratio for G4PhantomParameterisation with and without boundary skipping for our heterogeneous data was equal to 0.97: 1. The calculated dose distributions agreed with the reference distribution for all but the G4

Shielding calculations for neutron calibration bunker using Monte Carlo code MCNP-4C

International Nuclear Information System (INIS)

Suman, H.; Kharita, M. H.; Yousef, S.

2008-02-01

In this work, the dose arising from an Am-Be source of 10 8 neutron/sec strength located inside the newly constructed neutron calibration bunker in the National Radiation Metrology Laboratories, was calculated using MCNP-4C code. It was found that the shielding of the neutron calibration bunker is sufficient. As the calculated dose is not expected to exceed in inhabited areas 0.183 μSv/hr, which is 10 times smaller than the regulatory dose constraints. Hence, it can be concluded that the calibration bunker can house - from the external exposure point of view - an Am-Be neutron source of 10 9 neutron/sec strength. It turned out that the neutron dose from the source is few times greater than the photon dose. The sky shine was found to contribute significantly to the total dose. This contribution was estimated to be 60% of the neutron dose and 10% of the photon dose. The systematic uncertainties due to various factors have been assessed and was found to be between 4 and 10% due to concrete density variations; 15% due to the dose estimation method; 4 -10% due to weather variations (temperature and moisture). The calculated dose was highly sensitive to the changes in source spectra. The uncertainty due to the use of two different neutron spectra is about 70%.(author)

Chemical potential of one-dimensional simple harmonic oscillators

International Nuclear Information System (INIS)

Mungan, Carl E

2009-01-01

Expressions for the chemical potential of an Einstein solid, and of ideal Fermi and Bose gases in an external one-dimensional oscillatory trap, are calculated by two different methods and are all found to share the same functional form. These derivations are easier than traditional textbook calculations for an ideal gas in an infinite three-dimensional square well. Furthermore, the results indicate some important features of chemical potential that could promote student learning in an introductory course in statistical mechanics at the undergraduate level.

The fifth AER dynamic benchmark calculation with hextran-smabre

International Nuclear Information System (INIS)

Haemaelaeinen, A.; Kyrki-Rajamaeki, R.

1998-01-01

The first AER benchmark for coupling of the thermohydraulic codes and three-dimensional reactordynamic core models is discussed. HEXTRAN 2.7 is used for the core dynamics and SMABRE 4.6 as a thermohydraulic model for the primary and secondary loops. The plant model for SMABRE is based mainly on two input models, the Loviisa model and standard VVER-440/213 plant model. The primary circuit includes six separate loops, totally 505 nodes and 652 junctions. The reactor pressure vessel is divided into six parallel channels. In HEXTRAN calculation 1/6 symmetry is used in the core. In the calculations nuclear data is based on the ENDF/B-IV library and it has been evaluated with the CASMO-HEX code. The importance of the nuclear data was illustrated by repeating the benchmark calculation with using three different data sets. Optimal extensive data valid from hot to cold conditions were not available for all types of fuel enrichments needed in this benchmark. (author)

Method of dimensionality reduction in contact mechanics and friction

CERN Document Server

Popov, Valentin L

2015-01-01

This book describes for the first time a simulation method for the fast calculation of contact properties and friction between rough surfaces in a complete form. In contrast to existing simulation methods, the method of dimensionality reduction (MDR) is based on the exact mapping of various types of three-dimensional contact problems onto contacts of one-dimensional foundations. Within the confines of MDR, not only are three dimensional systems reduced to one-dimensional, but also the resulting degrees of freedom are independent from another. Therefore, MDR results in an enormous reduction of the development time for the numerical implementation of contact problems as well as the direct computation time and can ultimately assume a similar role in tribology as FEM has in structure mechanics or CFD methods, in hydrodynamics. Furthermore, it substantially simplifies analytical calculation and presents a sort of “pocket book edition” of the entirety contact mechanics. Measurements of the rheology of bodies in...