Calculation of the dispersion-dipole coefficients for interactions between H, He, and H2

International Nuclear Information System (INIS)

Bishop, D.M.; Pipin, J.

1993-01-01

Collisions between atoms and molecules create an induced dipole moment which, at long range separations, stems, in part, from the van der Waals interactions between the colliding species. This contribution is known as the dispersion dipole moment and is of the order R -7 , where R is the separation between particles. Although there have been several approximate calculations of the dispersion-dipole coefficients which govern this contribution, and are the counterparts to the van der Waals dispersion-energy coefficients, there have been few ab initio calculations. In this article we present highly accurate results, based on explicitly electron-correlated wave functions, for the dispersion-dipole coefficients pertaining to interactions between pairs chosen from H, He, and H 2 . We also obtain values with some of the currently used approximate formulas. A comparison shows that these values differ, in general, by a significant amount (∼20--∼40 %) from the accurate ones. We also tabulate values of the dipole--dipole-quadrupole polarizability tensor (B) for imaginary frequency (iω) for a range of frequencies appropriate to a 64-point Gauss--Legendre quadrature for H, He, and H 2 . These values were used in certain numerical integrations we made to verify our original results which had been obtained by analytic integration---they may, however, be useful in other contexts. For H--H 2 and H 2 --H 2 , these are the only ab initio calculations of the dispersion-dipole coefficients of which we are aware

Calculated temperature dependence of elastic constants and phonon dispersion of hcp and bcc beryllium

Science.gov (United States)

Hahn, Steven; Arapan, Sergiu; Harmon, Bruce; Eriksson, Olle

2011-03-01

Conventional first principle methods for calculating lattice dynamics are unable to calculate high temperature thermophysical properties of materials containing modes that are entropically stabilized. In this presentation we use a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD) to study the hcp to bcc transition (1530 K) in beryllium. The SCAILD method goes beyond the harmonic approximation to include phonon-phonon interactions and produces a temperature-dependent phonon dispersion. In the high temperature bcc structure, phonon-phonon interactions dynamically stabilize the N-point phonon. Fits to the calculated phonon dispersion were used to determine the temperature dependence of the elastic constants in the hcp and bcc phases. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

Channel Capacity Calculation at Large SNR and Small Dispersion within Path-Integral Approach

Science.gov (United States)

Reznichenko, A. V.; Terekhov, I. S.

2018-04-01

We consider the optical fiber channel modelled by the nonlinear Shrödinger equation with additive white Gaussian noise. Using Feynman path-integral approach for the model with small dispersion we find the first nonzero corrections to the conditional probability density function and the channel capacity estimations at large signal-to-noise ratio. We demonstrate that the correction to the channel capacity in small dimensionless dispersion parameter is quadratic and positive therefore increasing the earlier calculated capacity for a nondispersive nonlinear optical fiber channel in the intermediate power region. Also for small dispersion case we find the analytical expressions for simple correlators of the output signals in our noisy channel.

Dispersion calculation method based on S-transform and coordinate rotation for Love channel waves with two components

Science.gov (United States)

Feng, Lei; Zhang, Yugui

2017-08-01

Dispersion analysis is an important part of in-seam seismic data processing, and the calculation accuracy of the dispersion curve directly influences pickup errors of channel wave travel time. To extract an accurate channel wave dispersion curve from in-seam seismic two-component signals, we proposed a time-frequency analysis method based on single-trace signal processing; in addition, we formulated a dispersion calculation equation, based on S-transform, with a freely adjusted filter window width. To unify the azimuth of seismic wave propagation received by a two-component geophone, the original in-seam seismic data undergoes coordinate rotation. The rotation angle can be calculated based on P-wave characteristics, with high energy in the wave propagation direction and weak energy in the vertical direction. With this angle acquisition, a two-component signal can be converted to horizontal and vertical directions. Because Love channel waves have a particle vibration track perpendicular to the wave propagation direction, the signal in the horizontal and vertical directions is mainly Love channel waves. More accurate dispersion characters of Love channel waves can be extracted after the coordinate rotation of two-component signals.

ERUPTION TO DOSE: COUPLING A TEPHRA DISPERSAL MODEL WITHIN A PERFORMANCE ASSESSMENT FRAMEWORK

International Nuclear Information System (INIS)

G. N. Keating, J. Pelletier

2005-01-01

The tephra dispersal model used by the Yucca Mountain Project (YMP) to evaluate the potential consequences of a volcanic eruption through the waste repository must incorporate simplifications in order to function within a large Monte-Carlo style performance assessment framework. That is, the explicit physics of the conduit, vent, and eruption column processes are abstracted to a 2-D, steady-state advection-dispersion model (ASHPLUME) that can be run quickly over thousands of realizations of the overall system model. Given the continuous development of tephra dispersal modeling techniques in the last few years, we evaluated the adequacy of this simplified model for its intended purpose within the YMP total system performance assessment (TSPA) model. We evaluated uncertainties inherent in model simplifications including (1) instantaneous, steady-state vs. unsteady eruption, which affects column height, (2) constant wind conditions, and (3) power-law distribution of the tephra blanket; comparisons were made to other models and published ash distributions. Spatial statistics are useful for evaluating differences in these model output vs. results using more complex wind, column height, and tephra deposition patterns. However, in order to assess the adequacy of the model for its intended use in TSPA, we evaluated the propagation of these uncertainties through FAR, the YMP ash redistribution model, which utilizes ASHPLUME tephra deposition results to calculate the concentration of nuclear waste-contaminated tephra at a dose-receptor population as a result of sedimentary transport and mixing processes on the landscape. Questions we sought to answer include: (1) what conditions of unsteadiness, wind variability, or departure from simplified tephra distribution result in significant effects on waste concentration (related to dose calculated for the receptor population)? (2) What criteria can be established for the adequacy of a tephra dispersal model within the TSPA

Integral method for the calculation of Hawking radiation in dispersive media. I. Symmetric asymptotics

Science.gov (United States)

Robertson, Scott; Leonhardt, Ulf

2014-11-01

Hawking radiation has become experimentally testable thanks to the many analog systems which mimic the effects of the event horizon on wave propagation. These systems are typically dominated by dispersion and give rise to a numerically soluble and stable ordinary differential equation only if the rest-frame dispersion relation Ω2(k ) is a polynomial of relatively low degree. Here we present a new method for the calculation of wave scattering in a one-dimensional medium of arbitrary dispersion. It views the wave equation as an integral equation in Fourier space, which can be solved using standard and efficient numerical techniques.

Comparison of Dorris-Gray and Schultz methods for the calculation of surface dispersive free energy by inverse gas chromatography.

Science.gov (United States)

Shi, Baoli; Wang, Yue; Jia, Lina

2011-02-11

Inverse gas chromatography (IGC) is an important technique for the characterization of surface properties of solid materials. A standard method of surface characterization is that the surface dispersive free energy of the solid stationary phase is firstly determined by using a series of linear alkane liquids as molecular probes, and then the acid-base parameters are calculated from the dispersive parameters. However, for the calculation of surface dispersive free energy, generally, two different methods are used, which are Dorris-Gray method and Schultz method. In this paper, the results calculated from Dorris-Gray method and Schultz method are compared through calculating their ratio with their basic equations and parameters. It can be concluded that the dispersive parameters calculated with Dorris-Gray method will always be larger than the data calculated with Schultz method. When the measuring temperature increases, the ratio increases large. Compared with the parameters in solvents handbook, it seems that the traditional surface free energy parameters of n-alkanes listed in the papers using Schultz method are not enough accurate, which can be proved with a published IGC experimental result. © 2010 Elsevier B.V. All rights reserved.

A Pearson VII distribution function for fast calculation of dechanneling and angular dispersion of beams

International Nuclear Information System (INIS)

Shao Lin; Peng Luohan

2009-01-01

Although multiple scattering theories have been well developed, numerical calculation is complicated and only tabulated values have been available, which has caused inconvenience in practical use. We have found that a Pearson VII distribution function can be used to fit Lugujjo and Mayer's probability curves in describing the dechanneling phenomenon in backscattering analysis, over a wide range of disorder levels. Differentiation of the obtained function gives another function to calculate angular dispersion of the beam in the frameworks by Sigmund and Winterbon. The present work provides an easy calculation of both dechanneling probability and angular dispersion for any arbitrary combination of beam and target having a reduced thickness ≥0.6, which can be implemented in modeling of channeling spectra. Furthermore, we used a Monte Carlo simulation program to calculate the deflection probability and compared them with previously tabulated data. A good agreement was reached.

Calculation of phonon dispersion in carbon nanotubes using a continuum-atomistic finite element approach

Directory of Open Access Journals (Sweden)

Michael J. Leamy

2011-12-01

Full Text Available Dispersion calculations are presented for cylindrical carbon nanotubes using a manifold-based continuum-atomistic finite element formulation combined with Bloch analysis. The formulated finite elements allow any (n,m chiral nanotube, or mixed tubes formed by periodically-repeating heterojunctions, to be examined quickly and accurately using only three input parameters (radius, chiral angle, and unit cell length and a trivial structured mesh, thus avoiding the tedious geometry generation and energy minimization tasks associated with ab initio and lattice dynamics-based techniques. A critical assessment of the technique is pursued to determine the validity range of the resulting dispersion calculations, and to identify any dispersion anomalies. Two small anomalies in the dispersion curves are documented, which can be easily identified and therefore rectified. They include difficulty in achieving a zero energy point for the acoustic twisting phonon, and a branch veering in nanotubes with nonzero chiral angle. The twisting mode quickly restores its correct group velocity as wavenumber increases, while the branch veering is associated with a rapid exchange of eigenvectors at the veering point, which also lessens its impact. By taking into account the two noted anomalies, accurate predictions of acoustic and low-frequency optical branches can be achieved out to the midpoint of the first Brillouin zone.

Ability Dispersion and Team Performance

DEFF Research Database (Denmark)

Hoogendoorn, Sander; Parker, Simon C.; Van Praag, Mirjam

What is the effect of dispersed levels of cognitive ability of members of a (business) team on their team's performance? This paper reports the results of a field experiment in which 573 students in 49 teams start up and manage real companies under identical circumstances. We ensured exogenous va...

The Dispersion of Employees' Wage Increase and Firm Performance

DEFF Research Database (Denmark)

Grund, Christian; Westergård-Nielsen, Niels Chr.

2008-01-01

than the dispersion of wage levels. It is reasonable to expect greater dispersion of wage increases to be associated with higher monetary incentives, but also with increased perceptions of unfairness. The authors' analysis of linked employer-employee data from Denmark for the years 1992-97 shows......Previous studies examining intra-firm wage dispersion and firm performance have focused on wage levels. The authors of this study argue that for purposes of comparing wage dispersion's positive incentive effects with its adverse morale effects, the dispersion of wage increases is more revealing...

The influence of the dispersion corrections on the performance of DFT method in modeling HNgY noble gas molecules and their complexes

Science.gov (United States)

Cukras, Janusz; Sadlej, Joanna

2018-01-01

The letter reports a comparative assessment of the usefulness of the two different Grimme's corrections for evaluating dispersion interaction (DFT-D3 and DFT-D3BJ) for the representative molecules of the family of noble-gas hydrides HXeY and their complexes with the HZ molecules, where Y and Z are F/Cl/OH/SH. with special regard to the dispersion term calculated by means of the symmetry-adapted perturbation theory (at the SAPT0 level). The results indicate that despite differences in the total interactions energy (DFT + corrections) versus SAPT0 results, the sequence of contributions of the individual dispersion terms is still maintained. Both dispersion corrections perform similarly and they improve the results suggesting that it is worthwhile to include them in calculations.

Calculation of the Green functions by the coupling constant dispersion relations

International Nuclear Information System (INIS)

Bogomalny, E.B.

1977-01-01

The discontinuities of the Green functions on the cut in the complex plane of the coupling constant are calculated by the steepest descent method. The saddle points are given by the solutions of the classical field equations at those values of the coupling constant for which the classical theory has no ground state. The Green functions at the physical values of the coupling constant are determined by dispersion relations. (Auth.)

Application of CFD dispersion calculation in risk based inspection for release of H2S

International Nuclear Information System (INIS)

Sharma, Pavan K.; Vinod, Gopika; Singh, R.K.; Rao, V.V.S.S.; Vaze, K.K.

2011-01-01

In atmospheric dispersion both deterministic and probabilistic approached have been used for addressing design and regulatory concerns. In context of deterministic calculations the amount of pollutants dispersion in the atmosphere is an important area wherein different approaches are followed in development of good analytical model. The analysis based on Computational Fluid Dynamics (CFD) codes offer an opportunity of model development based on first principles of physics and hence such models have an edge over the existing models. In context of probabilistic methods applying risk based inspection (wherein consequence of failure from each component needs to be assessed) are becoming popular. Consequence evaluation in a process plant is a crucial task. Often the number of components considered for life management will be too huge. Also consequence evaluation of all the components proved to be laborious task. The present paper is the results of joint collaborative work from deterministic and probabilistic modelling group working in the field of atmospheric dispersion. Even though API 581 has simplified qualitative approach, regulators find the some of the factors, in particular, quantity factor, not suitable for process plants. Often dispersion calculations for heavy gas are done with very simple model which can not take care of density based atmospheric dispersion. This necessitates a new approach with a CFD based technical basis is proposed, so that the range of quantity considered along with factors used can be justified. The present paper is aimed at bringing out some of the distinct merits and demerits of the CFD based models. A brief account of the applications of such CFD codes reported in literature is also presented in the paper. This paper describes the approach devised and demonstrated for the said issue with emphasis of CFD calculations. (author)

The Dispersion of Employees' Wage Increases and Firm Performance

DEFF Research Database (Denmark)

Grund, Christian; Westergård-Nielsen, Niels Chr.

does not induce any monetary incentives. Evidence from unique Danish linked employer employee data shows that large dispersion of wage growth within firms is generally connected with low firm performance. The results are mainly driven by white collar rather than blue collar workers.......In this contribution, we examine the interrelation between intra-firm wage increases and firm performance. Previous studies have focused on the dispersion of wages in order to examine for the empirical dominance of positive monetary incentives effects compared to adverse effects due to fairness...... considerations. We argue that the dispersion of wage increases rather than wage levels is a crucial measure for monetary incentives in firms. The larger the dispersion of wage increases the higher the amount of monetary incentives in firms. In contrast, huge wage inequality without any promotion possibilities...

Dispersion effect and auto-reconditioning performance of nanometer ...

Indian Academy of Sciences (India)

This paper reported on dispersion effect and dispersing techniques of nanometer WS2 particles in the green lubricant concocted by us. And it also researched on auto-reconditioning performance of nanometer WS2 particles to the abrasive surfaces of steel ball from four-ball tribology test and piston ring from engine ...

Chemical oil-spill dispersants: evaluation of three laboratory procedures for estimating performance

International Nuclear Information System (INIS)

Clayton, J.R.; Marsden, P.

1992-09-01

The report presents data from studies designed to evaluate characteristics of selected bench-scale test methods for estimating performance of chemical agents for dispersing oil from surface slicks into an underlying water column. In order to mitigate the effect of surface slicks with chemical dispersant agents, however, an on-scene coordinator must have information and an understanding of performance characteristics for available dispersant agents. Performance of candidate dispersant agents can be estimated on the basis of laboratory testing procedures that are designed to evaluate performance of different agents. Data presented in the report assist in the evaluation of candidate test methods for estimating performance of candidate dispersant agents. Three test methods were selected for evaluating performance: the currently accepted Revised Standard EPA test, Environmental Canada's Swirling Flask test, and the IFP-Dilution test

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

Science.gov (United States)

Robertson, Scott

2014-11-01

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

Some results of a numerical calculation of plasma dispersion curves including collisions; Quelques resultats de calcul de courbes de dispersion avec collisions

Energy Technology Data Exchange (ETDEWEB)

Lepechinsky, D; Parlange, F [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1964-07-01

Dispersion curves including the effect of collisions have been calculated with a 7090 IBM computer for several types of laboratory hydrogen plasmas; Te = Ti = 1 eV; Te = 1 eV, Ti = 0,1 eV; Te = 10 eV, Ti = 2 eV; Te = 50 eV, Ti 10 eV, with neutral gas pressures of 10{sup -1}, 10{sup -3} and 10{sup -4} mmHg and electron densities of 10{sup 10}, 10{sup 13} and eventually 10{sup 15} el/cc. The corresponding collision frequencies with neutrals and between electrons and ions have been derived using appropriate relationships The dispersion equations used correspond to the macroscopic treatment. The real and imaginary parts of the wave number K are presented as a function of real values of the frequency {omega}, for electrostatic and electromagnetic waves and for e.m. waves propagating parallel to a permanent magnetic field of 500 gauss and 12.5 Kgauss. (authors) [French] Des courbes de dispersion tenant compte de l'effet des collisions ont ete calculees a l'aide d'un ordinateur IBM 7090 pour differents types de plasmas d'hydrogene se presentant au laboratoire; les temperatures electroniques et ioniques envisagees ont ete les suivantes: Te = Ti = 1 Ev; Te = 1 eV, Ti 0,1 eV; Te = 10 eV, Ti = 2 eV; Te = 50 eV, Ti = 10 eV; les pressions de neutres - de 10{sup -1}, 10{sup -3} et 10{sup -4} mmHg; les densites electroniques - de 10{sup 10}, 10{sup 13} et eventuellement de 10{sup 15} el/cc. Les frequences de collision avec les neutres et entre electrons et ions ont ete evaluees en fonction de ces donnees. Les equations, de dispersion utilisees correspondant au traitement macroscopique. On presente les valeurs des parties reelle et imaginaire du nombre d'ondes K en fonction de valeurs reelles de la frequence {omega} pour les ondes electrostatiques et electromagnetiques et pour les ondes e.m. se propageant parallelement a un champ magnetique permanent de 500 gauss et de 12,5 kgauss. (auteurs)

Modeling of high-density U-MO dispersion fuel plate performance

International Nuclear Information System (INIS)

Hayes, S.L.; Meyer, M.K.; Hofman, G.L.; Rest, J.; Snelgrove, J.L.

2002-01-01

Results from postirradiation examinations (PIE) of highly loaded U-Mo/Al dispersion fuel plates over the past several years have shown that the interaction between the metallic fuel particles and the matrix aluminum can be extensive, reducing the volume of the high-conductivity matrix phase and producing a significant volume of low-conductivity reaction-product phase. This phenomenon results in a significant decrease in fuel meat thermal conductivity during irradiation. PIE has further shown that the fuel-matrix interaction rate is a sensitive function of irradiation temperature. The interplay between fuel temperature and fuel-matrix interaction makes the development of a simple empirical correlation between the two difficult. For this reason a comprehensive thermal model has been developed to calculate temperatures throughout the fuel plate over its lifetime, taking into account the changing volume fractions of fuel, matrix and reaction-product phases within the fuel meat owing to fuel-matrix interaction; this thermal model has been incorporated into the dispersion fuel performance code designated PLATE. Other phenomena important to fuel thermal performance that are also treated in PLATE include: gas generation and swelling in the fuel and reaction-product phases, incorporation of matrix aluminum into solid solution with the unreacted metallic fuel particles, matrix extrusion resulting from fuel swelling, and cladding corrosion. The phenomena modeled also make possible a prediction of fuel plate swelling. This paper presents a description of the models and empirical correlations employed within PLATE as well as validation of code predictions against fuel performance data for U-Mo experimental fuel plates from the RERTR-3 irradiation test. (author)

Performance evaluation of large U-Mo particle dispersed fuel irradiated in HANARO

International Nuclear Information System (INIS)

Ryu, Ho Jin; Park, Jong Man; Oh, Seok Jin; Jang, Se Jung; Yu, Byung Ok; Lee, Choong Seong; Seo, Chul Gyo; Chae, Hee Taek; Kim, Chang Kyu

2008-01-01

U-Mo/Al dispersion fuel is being developed as advanced fuel for research reactors. Irradiation behavior of U-Mo/Al dispersion fuel has been studied to evaluate its fuel performance. One of the performance limiting factors is a chemical interaction between the U-Mo particle and the Al matrix because the thermal conductivity of fuel meat is decreased with the interaction layer growth. In order to overcome the interaction problem, large-sized U-Mo particles were fabricated by controlling the centrifugal atomization conditions. The fuel performance behavior of U-Mo/Al dispersion fuel was estimated by using empirical models formulated based on the microstructural analyses of the post-irradiation examination (PIE) on U-Mo/Al dispersion fuel irradiated in HANARO reactor. Temperature histories of U-Mo/Al dispersion fuel during irradiation tests were estimated by considering the effect of an interaction layer growth on the thermal conductivity of the fuel meat. When the fuel performances of the dispersion fuel rods containing U-Mo particles with various sizes were compared, fuel temperature was decreased as the average U-Mo particle size was increases. It was found that the dispersion of a larger U-Mo particle was effective for mitigating the thermal degradation which is associated with an interaction layer growth. (author)

Performance Evaluation of Metallic Dispersion Fuel for Advanced Research Reactors

Energy Technology Data Exchange (ETDEWEB)

Ryu, Ho Jin; Park, Jong Man; Kim, Chang Kyu; Chae, Hee Taek; Song, Kee Chan [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Kim, Yeon Soo [Argonne National Laboratory, New York (United States)

2007-07-01

Uranium alloys with a high uranium density has been developed for high power research reactor fuel using low-enriched uranium (LEU). U-Mo alloys have been developed as candidate fuel material because of excellent irradiation behavior. Irradiation behavior of U-Mo/Al dispersion fuel has been investigated to develop high performance research reactor fuel as RERTR international research program. While plate-type and rod-type dispersion fuel elements are used for research reactors, HANARO uses rod-type dispersion fuel elements. PLATE code is developed by Argonne National Laboratory for the performance evaluation of plate-type dispersion fuel, but there is no counterpart for rod-type dispersion fuel. Especially, thermal conductivity of fuel meat decreases during the irradiation mainly because of interaction layer formation at the interface between the U-Mo fuel particle and Al matrix. The thermal conductivity of the interaction layer is not as high as the Al matrix. The growth of interaction layer is interactively affected by the temperature of fuel because it is associated with a diffusion reaction which is a thermally activated process. It is difficult to estimate the temperature profile during irradiation test due to the interdependency of fuel temperature and thermal conductivity changed by interaction layer growth. In this study, fuel performance of rod-type U-Mo/Al dispersion fuels during irradiation tests were estimated by considering the effect of interaction layer growth on the thermal conductivity of fuel meat.

Performance Evaluation of Metallic Dispersion Fuel for Advanced Research Reactors

International Nuclear Information System (INIS)

Ryu, Ho Jin; Park, Jong Man; Kim, Chang Kyu; Chae, Hee Taek; Song, Kee Chan; Kim, Yeon Soo

2007-01-01

Uranium alloys with a high uranium density has been developed for high power research reactor fuel using low-enriched uranium (LEU). U-Mo alloys have been developed as candidate fuel material because of excellent irradiation behavior. Irradiation behavior of U-Mo/Al dispersion fuel has been investigated to develop high performance research reactor fuel as RERTR international research program. While plate-type and rod-type dispersion fuel elements are used for research reactors, HANARO uses rod-type dispersion fuel elements. PLATE code is developed by Argonne National Laboratory for the performance evaluation of plate-type dispersion fuel, but there is no counterpart for rod-type dispersion fuel. Especially, thermal conductivity of fuel meat decreases during the irradiation mainly because of interaction layer formation at the interface between the U-Mo fuel particle and Al matrix. The thermal conductivity of the interaction layer is not as high as the Al matrix. The growth of interaction layer is interactively affected by the temperature of fuel because it is associated with a diffusion reaction which is a thermally activated process. It is difficult to estimate the temperature profile during irradiation test due to the interdependency of fuel temperature and thermal conductivity changed by interaction layer growth. In this study, fuel performance of rod-type U-Mo/Al dispersion fuels during irradiation tests were estimated by considering the effect of interaction layer growth on the thermal conductivity of fuel meat

Application of the annular dispersed flow model to two-phase critical flow calculation

International Nuclear Information System (INIS)

Ivandaev, A.I.; Nigmatulin, B.I.

1977-01-01

The application of the annular dispersed flow model with an effective monodisperse core to the calculation of vapour-liquid mixture maximum rates through long pipes is discussed. An effect of the main dominant parameters such as evaporation intensity, diameter of drops picked out from the film surface and initial drop diameter at the pipe inlet on the outlet critical condition formation process has been investigated. The corresponding model constants have been determined. The calculated and experimental values of critical rates and pressure profiles along the channel have been found to be in a satisfactory agreement in the studied range of parameters. The observed non-conformity of the calculated and experimental values of critical pressures and vapour contents can be due to inadequate accuracy of the experimental techniques

Calculations of the mean regional dispersion of a radioactive gas emitted from a continuous source

International Nuclear Information System (INIS)

Persson, C.

1974-10-01

The mean dispersion of a radioactive gas over distances of the order of 1000 kilometers is estimated with the aid of a statistical treatment of computed geostrophic trajectories and simplified vertical diffusion calculations based on the eddy diffusivity theory. (author)

Relative neutronic performance of proposed high-density dispersion fuels in water-moderated and D2O-reflected research reactors

International Nuclear Information System (INIS)

Bretscher, M.M.; Matos, J.E.; Snelgrove, J.L.

1996-01-01

This paper provides an overview of the neutronic performance of an idealized research reactor using several high density LEU fuels that are being developed by the RERTR program. High-density LEU dispersion fuels are needed for new and existing high-performance research reactors and to extend the lifetime of fuel elements in other research reactors. This paper discusses the anticipated neutronic behavior of proposed advanced fuels containing dispersions of U 3 Si 2 , UN, U 2 Mo and several uranium alloys with Mo, or Zr and Nb. These advanced fuels are ranked based on the results of equilibrium depletion calculations for a simplified reactor model having a small H 2 O-cooled core and a D 2 O reflector. Plans have been developed to fabricate and irradiate several uranium alloy dispersion fuels in order to test their stability and compatibility with the matrix material and to establish practical loading limits

Relative neutronic performance of proposed high-density dispersion fuels in water-moderated and D2O-reflected research reactors

International Nuclear Information System (INIS)

Bretscher, M.M.; Matos, J.E.; Snelgrove, J.L.

1996-01-01

This paper provides an overview of the neutronic performance of an idealized research reactor using several high density Leu fuels that are being developed by the Rarita program. High-density Leu dispersion fuels are needed for new and existing high-performance research reactors and to extend the lifetime of fuel elements in other research reactors. This paper discusses the anticipated neutronic behavior of proposed advanced fuels containing dispersions of U 3 Si 2 , UN, U 2 Mo and several uranium alloys with Mo, or Zr and Nb. These advanced fuels are ranked based on the results of equilibrium depletion calculations for a simplified reactor model having a small H 2 O-cooled core and a D 2 O reflector. Plans have been developed to fabricate and irradiate several uranium alloy dispersion fuels in order to test their stability and compatibility with the matrix material and to establish practical loading limits. (author)

Performance assessment calculational exercises

International Nuclear Information System (INIS)

Barnard, R.W.; Dockery, H.A.

1990-01-01

The Performance Assessment Calculational Exercises (PACE) are an ongoing effort coordinated by Yucca Mountain Project Office. The objectives of fiscal year 1990 work, termed PACE-90, as outlined in the Department of Energy Performance Assessment (PA) Implementation Plan were to develop PA capabilities among Yucca Mountain Project (YMP) participants by calculating performance of a Yucca Mountain (YM) repository under ''expected'' and also ''disturbed'' conditions, to identify critical elements and processes necessary to assess the performance of YM, and to perform sensitivity studies on key parameters. It was expected that the PACE problems would aid in development of conceptual models and eventual evaluation of site data. The PACE-90 participants calculated transport of a selected set of radionuclides through a portion of Yucca Mountain for a period of 100,000 years. Results include analyses of fluid-flow profiles, development of a source term for radionuclide release, and simulations of contaminant transport in the fluid-flow field. Later work included development of a problem definition for perturbations to the originally modeled conditions and for some parametric sensitivity studies. 3 refs

In-town dispersion calculations with RIMPUFF and UDM

DEFF Research Database (Denmark)

Astrup, P.; Thykier-Nielsen, Søren; Mikkelsen, Torben

2005-01-01

and in depositions obtained with a code designed for dispersion of a release from a nuclear power plant, typically situated at a distance from densely inhabited areas, and a code specifically designed forpredicting dispersion from sources inside urban areas. The codes applied are the RIMPUFF code, RIsø Mesoscale...

Implementation of a model of atmospheric dispersion and dose calculation in the release of radioactive effluents in the Nuclear Centre

International Nuclear Information System (INIS)

Cruz L, C. A.

2015-01-01

In the present thesis, the software DERA (Dispersion of Radioactive Effluents into the Atmosphere) was developed in order to calculate the equivalent dose, external and internal, associated with the release of radioactive effluents into the atmosphere from a nuclear facility. The software describes such emissions in normal operation, and not considering the exceptional situations such as accidents. Several tools were integrated for describing the dispersion of radioactive effluents using site meteorological information (average speed and wind direction and the stability profile). Starting with the calculation of the concentration of the effluent as a function of position, DERA estimates equivalent doses using a set of EPA s and ICRP s coefficients. The software contains a module that integrates a database with these coefficients for a set of 825 different radioisotopes and uses the Gaussian method to calculate the effluents dispersion. This work analyzes how adequate is the Gaussian model to describe emissions type -puff-. Chapter 4 concludes, on the basis of a comparison of the recommended correlations of emissions type -puff-, that under certain conditions (in particular with intermittent emissions) it is possible to perform an adequate description using the Gaussian model. The dispersion coefficients (σ y and σ z ), that using the Gaussian model, were obtained from different correlations given in the literature. Also in Chapter 5 is presented the construction of a particular correlation using Lagrange polynomials, which takes information from the Pasquill-Gifford-Turner curves (PGT). This work also contains a state of the art about the coefficients that relate the concentration with the equivalent dose. This topic is discussed in Chapter 6, including a brief description of the biological-compartmental models developed by the ICRP. The software s development was performed using the programming language Python 2.7, for the Windows operating system (the XP

Dispersion factors - tables and diagrams for the Karlsruhe site

International Nuclear Information System (INIS)

Papadopoulos, D.; Baer, M.; Honcu, S.

1984-02-01

Dispersion experiments were performed at the Nuclear Research Center for the Karlsruhe site. The evaluation of these experiments allowed to determine the parameters of lateral or vertical atmospheric dispersions. This report is a compilation of tables and diagrams showing the dispersion factors calculated with the help of the dispersion parameters. These dispersion factors are valid for the Karlsruhe site. They have been normalized to 1 m/s wind speed and to 1 g/s (or 1 Bq/s) source strength. (orig.) [de

In-town dispersion calculations with RIMPUFF and UDM

International Nuclear Information System (INIS)

Astrup, P.; Thykier-Nielsen, S.; Mikkelsen, Torben

2005-11-01

Input to ERMIN, deposition of radioactive matter inside inhabited areas from releases both within and outside such areas, shall in a decision support system be produced by dispersion codes, followed by data-assimilation. The present work focuses on the differences in near surface concentrations and in depositions obtained with a code designed for dispersion of a release from a nuclear power plant, typically situated at a distance from densely inhabited areas, and a code specifically designed for predicting dispersion from sources inside urban areas. The codes applied are the RIMPUFF code, RIsoe Mesoscale PUFF model from Risoe National Laboratory, Denmark, and the UDM code, Urban Dispersion Model, from 'dstl', Defence Science and Technology Laboratory, Porton Down, United Kingdom. For an above-town release only small differences are seen between the codes, but for a in-town ground release, e.g. a dirty bomb, the UDM code predicts much larger concentrations in an area close to the release point and, if wind shifts occur, gives a rather different plume all over. (au)

Neutronic, thermal-hydraulics and safety calculations of a Miniplate Irradiation Device (MID) of dispersion type fuel elements

International Nuclear Information System (INIS)

Domingos, Douglas Borges

2010-01-01

Neutronic, thermal-hydraulics and accident analysis calculations were developed to estimate the safety of a Miniplate Irradiation Device (MID) to be placed in the IEA-R1 reactor core. The irradiation device is used to receive miniplates of U 3 O 8 -Al and U 3 Si 2 - Al dispersion fuels, LEU type (19.75 % 235 U) with uranium densities of, respectively, 3.2 gU/cm 3 and 4.8 gU/cm 3 . The fuel miniplates will be irradiated to nominal 235 U burnup levels of 50% and 80%, in order to qualify the above high-density dispersion fuels to be used in the Brazilian Multipurpose Reactor (RMB), now in the conception phase. For the neutronic calculation, the computer codes CITATION and 2DB were utilized. The computer code FLOW was used to calculate the coolant flow rate in the irradiation device, allowing the determination of the fuel miniplate temperatures with the computer model MTRCR-IEA-R1. A postulated Loss of Coolant Accident (LOCA) was analyzed with the computer codes LOSS and TEMPLOCA, allowing the calculation of the fuel miniplate temperatures after the reactor pool draining. The calculations showed that the irradiation should occur without adverse consequences in the IEA-R1 reactor. (author)

Scale-Dependent Solute Dispersion in Variably Saturated Porous Media

Energy Technology Data Exchange (ETDEWEB)

Rockhold, Mark L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zhang, Z. F. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bott, Yi-Ju [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2016-03-29

This work was performed to support performance assessment (PA) calculations for the Integrated Disposal Facility (IDF) at the Hanford Site. PA calculations require defensible estimates of physical, hydraulic, and transport parameters to simulate subsurface water flow and contaminant transport in both the near- and far-field environments. Dispersivity is one of the required transport parameters.

Radiological impact from spanish coal power plants.2.- Dispersion model for deconcentration calculations

International Nuclear Information System (INIS)

Alvarez, M.C.; Garzon, L.

1990-01-01

In this paper a practical dispersion model is presented, which permits to calculate, in Spain, the concentration of natural radionuclides released to the atmosphere from coal power plants. To apply the model it is necessary to know the following data: emission rates, dry deposition velocity, scavenging coefficient, mixing layer height, together with climatological frequency data relating to wind speed and wind direction (to determinate trajectories from a given source) in the areas examined. Meteorological data can be obtained from meteorological stations across Spain. (Author)

Volume Fraction Dependent Thermal Performance of UAlx-Al Dispersion Target

Energy Technology Data Exchange (ETDEWEB)

Kong, Eui Hyun; Tahk, Young Wook; Kim, Hyun Jung; Oh, Jae Yong; Yim, Jeong Sik [KAERI, Daejeon (Korea, Republic of)

2016-05-15

Unlike U-Al alloys, properties of UAl{sub x}-Al dispersion target can be highly sensitive to volume fraction of UAlx in a target meat due to the interface resistance between target particles and matrix. The interface resistance effects on properties of the target meat including thermal conductivity, thermal expansion coefficient, specific heat, elastic modulus and so on. Thermal performances of a dispersion target meat were theoretically evaluated under normal operation condition of KJRR (Kijang Research Reactor) during short effective full power days (EFPD) of 7 days, based on reported measured thermal conductivities of UAl{sub x}-Al dispersion fuels. Effective thermal conductivity determines maximum temperature of dispersion target plate. And for that volume fraction of UAlx in target meat has to be determined considering manufacturing of target plate without degradation of physical and mechanical characteristics.

Assessing the performance of dispersionless and dispersion-accounting methods: helium interaction with cluster models of the TiO2(110) surface.

Science.gov (United States)

de Lara-Castells, María Pilar; Stoll, Hermann; Mitrushchenkov, Alexander O

2014-08-21

As a prototypical dispersion-dominated physisorption problem, we analyze here the performance of dispersionless and dispersion-accounting methodologies on the helium interaction with cluster models of the TiO2(110) surface. A special focus has been given to the dispersionless density functional dlDF and the dlDF+Das construction for the total interaction energy (K. Pernal, R. Podeswa, K. Patkowski, and K. Szalewicz, Phys. Rev. Lett. 2009, 109, 263201), where Das is an effective interatomic pairwise functional form for the dispersion. Likewise, the performance of symmetry-adapted perturbation theory (SAPT) method is evaluated, where the interacting monomers are described by density functional theory (DFT) with the dlDF, PBE, and PBE0 functionals. Our benchmarks include CCSD(T)-F12b calculations and comparative analysis on the nuclear bound states supported by the He-cluster potentials. Moreover, intra- and intermonomer correlation contributions to the physisorption interaction are analyzed through the method of increments (H. Stoll, J. Chem. Phys. 1992, 97, 8449) at the CCSD(T) level of theory. This method is further applied in conjunction with a partitioning of the Hartree-Fock interaction energy to estimate individual interaction energy components, comparing them with those obtained using the different SAPT(DFT) approaches. The cluster size evolution of dispersionless and dispersion-accounting energy components is then discussed, revealing the reduced role of the dispersionless interaction and intramonomer correlation when the extended nature of the surface is better accounted for. On the contrary, both post-Hartree-Fock and SAPT(DFT) results clearly demonstrate the high-transferability character of the effective pairwise dispersion interaction whatever the cluster model is. Our contribution also illustrates how the method of increments can be used as a valuable tool not only to achieve the accuracy of CCSD(T) calculations using large cluster models but also to

Mars Exploration Rovers Landing Dispersion Analysis

Science.gov (United States)

Knocke, Philip C.; Wawrzyniak, Geoffrey G.; Kennedy, Brian M.; Desai, Prasun N.; Parker, TImothy J.; Golombek, Matthew P.; Duxbury, Thomas C.; Kass, David M.

2004-01-01

Landing dispersion estimates for the Mars Exploration Rover missions were key elements in the site targeting process and in the evaluation of landing risk. This paper addresses the process and results of the landing dispersion analyses performed for both Spirit and Opportunity. The several contributors to landing dispersions (navigation and atmospheric uncertainties, spacecraft modeling, winds, and margins) are discussed, as are the analysis tools used. JPL's MarsLS program, a MATLAB-based landing dispersion visualization and statistical analysis tool, was used to calculate the probability of landing within hazardous areas. By convolving this with the probability of landing within flight system limits (in-spec landing) for each hazard area, a single overall measure of landing risk was calculated for each landing ellipse. In-spec probability contours were also generated, allowing a more synoptic view of site risks, illustrating the sensitivity to changes in landing location, and quantifying the possible consequences of anomalies such as incomplete maneuvers. Data and products required to support these analyses are described, including the landing footprints calculated by NASA Langley's POST program and JPL's AEPL program, cartographically registered base maps and hazard maps, and flight system estimates of in-spec landing probabilities for each hazard terrain type. Various factors encountered during operations, including evolving navigation estimates and changing atmospheric models, are discussed and final landing points are compared with approach estimates.

Review of specific effects in atmospheric dispersion calculations

International Nuclear Information System (INIS)

Underwood, B.Y.; Cooper, P.J.; Holloway, N.J.; Kaiser, G.D.; Nixon, W.

1984-01-01

This report consists of a series of 7 individual review chapters -written between 1980 and 1983- together with a summary document linking and overviewing the work. The topics covered are as follows: ''atmospheric dispersion in urban environments''; ''topographical effects in nuclear safety studies''; coastal effects and transport over water''; ''time-varying meteorology in consequence assessment''; ''building effects in nuclear safety studies''; effect of variations in mixing height on atmospheric dispersion''; ''the effect of turning of the wind with height on lateral dispersion''. Although the reviews are, on the whole, general in approach, emphasis has been given where appropriate to the impact of various phenomena on the assessment of reactor accident consequences. In general the work focuses on the 0-100 km range of distance downwind of the source. The reviews fulfil several functions: they serve as introductions to the subject areas; they outline theoretical and experimental developments; they act as reference documents providing a copious source of references for more detailed investigation of particular points; they raise unresolved technical issues and attempt to indicate principal uncertainties; they point to areas requiring further development

Structure and stability of acrolein and allyl alcohol networks on Ag(111) from density functional theory based calculations with dispersion corrections

Science.gov (United States)

Ferullo, Ricardo M.; Branda, Maria Marta; Illas, Francesc

2013-11-01

The interaction of acrolein and allyl alcohol with the Ag(111) surface has been studied by means of periodic density functional theory based calculations including explicitly dispersion terms. Different coverage values have been explored going from isolated adsorbed molecules to isolated dimers, interacting dimers or ordered overlayers. The inclusion of the dispersion terms largely affects the calculated values of the adsorption energy and also the distance between adsorbed molecule and the metallic surface but much less the adsorbate-adsorbate interactions. Owing to the large dipole moment of acrolein, the present calculations predict that at high coverage this molecule forms a stable extensive two-dimensional network on the surface, caused by the alignment of the adsorbate dipoles. For the case of allyl alcohol, dimers and complex networks exhibit similar stability.

Atmospheric Dispersion Models for the Calculation of Environmental Impact: A Comparative Study

International Nuclear Information System (INIS)

Caputo, Marcelo; Gimenez, Marcelo; Felicelli, Sergio; Schlamp, Miguel

2000-01-01

In this paper some new comparisons are presented between the codes AERMOD, HPDM and HYSPLIT.The first two are Gaussian stationary plume codes and they were developed to calculate environmental impact produced by chemical contaminants.HYSPLIT is a hybrid code because it uses a Lagrangian reference system to describe the transport of a puff center of mass and uses an Eulerian system to describe the dispersion within the puff.The meteorological and topographic data used in the present work were obtained from runs of the prognostic code RAMS, provided by NOAA. The emission was fixed in 0.3 g/s , 284 K and 0 m/s .The surface rough was fixed in 0.1m and flat terrain was considered.In order to analyze separate effects and to go deeper in the comparison, the meteorological data was split into two, depending on the atmospheric stability class (F to B), and the wind direction was fixed to neglect its contribution to the contaminant dispersion.The main contribution of this work is to provide recommendations about the validity range of each code depending on the model used.In the case of Gaussian models the validity range is fixed by the distance in which the atmospheric condition can be consider homogeneous.In the other hand the validity range of HYSPLIT's model is determined by the spatial extension of the meteorological data.The results obtained with the three codes are comparable if the emission is in equilibrium with the environment.This means that the gases were emitted at the same temperature of the medium with zero velocity.There was an important difference between the dispersion parameters used by the Gaussian codes

A model for the calculation of dispersion, advection and deposition of polluants in the atmosphere

International Nuclear Information System (INIS)

Doron, E.

1981-08-01

A numerical model for the prediction of atmospheric pollutants concentrations as a function of time and location is described. The model includes effects of dispersion, advection and deposition of the pollutant. Topographic influences are included through the introduction of a terrain following vertical coordinate. The wind field, needed for the calculation of the advection, is obtained from a time series of objective analysis of actual wind measurements. A unique feature of the model is the use of the logarithm of the concentration as the predicted variable. For a concentration distribution close to Gaussian, the distribution of this variable is close to parabolic. Thus, a polynomial of low order can be fitted to the distribution and then used for the calculation of derivatives of the advection and diffusion terms with great accuracy. The fitting method used was the cubic splines method. Initial experiments with the method included tests of the interpolation methods, which were found to be very accurate, and a few dispersion and advection experiments designed for an initial check of the influence of vertical wind shear, topography and changes of wind speed and direction with time. The results of these experiments show that the model has a marked advantage over the Gaussian model but its use requires more advanced computing facilities. (author)

Validation of OpenFoam for heavy gas dispersion applications

NARCIS (Netherlands)

Mack, A.; Spruijt, M.P.N.

2013-01-01

In the present paper heavy gas dispersion calculations were performed with OpenFoam. For a windtunnel test case, numerical data was validated with experiments. For a full scale numerical experiment,a code to code comparison was performed with numerical results obtained from Fluent. The validationwas

Source-receptor matrix calculation with a Lagrangian particle dispersion model in backward mode

Directory of Open Access Journals (Sweden)

P. Seibert

2004-01-01

Full Text Available The possibility to calculate linear-source receptor relationships for the transport of atmospheric trace substances with a Lagrangian particle dispersion model (LPDM running in backward mode is shown and presented with many tests and examples. This mode requires only minor modifications of the forward LPDM. The derivation includes the action of sources and of any first-order processes (transformation with prescribed rates, dry and wet deposition, radioactive decay, etc.. The backward mode is computationally advantageous if the number of receptors is less than the number of sources considered. The combination of an LPDM with the backward (adjoint methodology is especially attractive for the application to point measurements, which can be handled without artificial numerical diffusion. Practical hints are provided for source-receptor calculations with different settings, both in forward and backward mode. The equivalence of forward and backward calculations is shown in simple tests for release and sampling of particles, pure wet deposition, pure convective redistribution and realistic transport over a short distance. Furthermore, an application example explaining measurements of Cs-137 in Stockholm as transport from areas contaminated heavily in the Chernobyl disaster is included.

Phonon dispersion and thermal conductivity of nanocrystal superlattices using three-dimensional atomistic models

International Nuclear Information System (INIS)

Zanjani, Mehdi B.; Lukes, Jennifer R.

2014-01-01

A computational study of thermal conductivity and phonon dispersion of gold nanocrystal superlattices is presented. Phonon dispersion curves, reported here for the first time from combined molecular dynamics and lattice dynamics calculations, show multiple phononic band gaps and consist of many more dispersion branches than simple atomic crystals. Fully atomistic three dimensional molecular dynamics calculations of thermal conductivity using the Green Kubo method are also performed for the first time on these materials. Thermal conductivity is observed to increase for increasing nanocrystal core size and decrease for increasing surface ligand density. Our calculations predict values in the range 0.1–1 W/m K that are consistent with reported experimental results

Harmonization of French and German calculation procedures for atmospheric dispersion following accidental releases from nuclear power plants

International Nuclear Information System (INIS)

Crabol, B.; Romeo, E.; Nester, K.

1992-01-01

In case of an accident in a nuclear power plant near the French-German border different schemes for dispersion calculations in both countries will currently be applied. An intercomparison of these schemes initiated from the German-French Commission for the safety of nuclear installations (DFK) revealed in some meteorological situations large differences in the resulting concentrations for radionuclides. An ad hoc working group was installed by the DFK with the mandate to analyse the reasons for the different model results and also to consider new theoretical concepts. The working group has agreed to apply a Gaussian puff model for emergency response calculations. The results of the model based on turbulence parameterization via similarity approach or spectral theory - have been compared with tracer experiments for different emission heights and atmospheric stability regimes. As a reference the old modelling approaches have been included in the study. The simulations with the similarity approach and the spectral theory show a slightly better agreement to the measured concentration data than the schemes used in the past. Instead of diffusion categories both new approaches allow a continuous characterization of the atmospheric dispersion conditions. Because the spectral approach incorporates the sampling time of the meteorological data as an adjustable parameter thereby offering the possibility to adjust the dispersion model to different emission scenarios this turbulence parameterization scheme will be foreseen as the basis for a joint French-German puff model

Performance assessment of Large Eddy Simulation (LES) for modeling dispersion in an urban street canyon with tree planting

Science.gov (United States)

Moonen, P.; Gromke, C.; Dorer, V.

2013-08-01

The potential of a Large Eddy Simulation (LES) model to reliably predict near-field pollutant dispersion is assessed. To that extent, detailed time-resolved numerical simulations of coupled flow and dispersion are conducted for a street canyon with tree planting. Different crown porosities are considered. The model performance is assessed in several steps, ranging from a qualitative comparison to measured concentrations, over statistical data analysis by means of scatter plots and box plots, up to the calculation of objective validation metrics. The extensive validation effort highlights and quantifies notable features and shortcomings of the model, which would otherwise remain unnoticed. The model performance is found to be spatially non-uniform. Closer agreement with measurement data is achieved near the canyon ends than for the central part of the canyon, and typical model acceptance criteria are satisfied more easily for the leeward than for the windward canyon wall. This demonstrates the need for rigorous model evaluation. Only quality-assured models can be used with confidence to support assessment, planning and implementation of pollutant mitigation strategies.

Quantifying environmental performance using an environmental footprint calculator

Energy Technology Data Exchange (ETDEWEB)

Smith, D.B.; Loney, A.C.; Chan, V. [Conestoga-Rovers & Associates, Waterloo, Ontario (Canada)

2009-07-01

This paper provides a case study using relevant key performance indicators (KPIs) to evaluate the environmental performance of a business. Using recognized calculation and reporting frameworks, Conestoga-Rovers & Associates (CRA) designed the Environmental Footprint Calculator to quantify the environmental performance of a Canadian construction materials company. CRA designed the Environmental Footprint calculator for our client to track and report their environmental performance in accordance with their targets, based on requirements of relevant guidance documents. The objective was to design a tool that effectively manages, calculates, and reports environmental performance to various stakeholders in a user-friendly format. (author)

Quantifying environmental performance using an environmental footprint calculator

International Nuclear Information System (INIS)

Smith, D.B.; Loney, A.C.; Chan, V.

2009-01-01

This paper provides a case study using relevant key performance indicators (KPIs) to evaluate the environmental performance of a business. Using recognized calculation and reporting frameworks, Conestoga-Rovers & Associates (CRA) designed the Environmental Footprint Calculator to quantify the environmental performance of a Canadian construction materials company. CRA designed the Environmental Footprint calculator for our client to track and report their environmental performance in accordance with their targets, based on requirements of relevant guidance documents. The objective was to design a tool that effectively manages, calculates, and reports environmental performance to various stakeholders in a user-friendly format. (author)

The effect of broadened linewidth induced by dispersion on the performance of resonant optical gyroscope

Science.gov (United States)

Zhang, Hao; Li, Wenxiu; Han, Peng; Chang, Xiaoyang; Liu, Jiaming; Lin, Jian; Xue, Xia; Zhu, Fang; Yang, Yang; Liu, Xiaojing; Zhang, Xiaofu; Huang, Anping; Xiao, Zhisong; Fang, Jiancheng

2018-01-01

Anomalous dispersion enhancement physical mechanism for Sagnac effect is described by special relativity derivation, and three kinds of definitions of minimum detectable angular rate of resonance optical gyroscope (ROG) are compared and the relations among them are investigated. The effect of linewidth broadening induced by anomalous dispersion on the sensitivity of ROG is discussed in this paper. Material dispersion-broadened resonance linewidth deteriorates the performance of a passive ROG and dispersion enhancement effect, while the sensitivity of a structural dispersion ROG is enhanced by two orders of magnitude even considering the dispersion-broadened resonance linewidth.

Performance Analysis of Ad Hoc Dispersed Spectrum Cognitive Radio Networks over Fading Channels

Directory of Open Access Journals (Sweden)

Mohammad Muneer

2011-01-01

Full Text Available Cognitive radio systems can utilize dispersed spectrum, and thus such approach is known as dispersed spectrum cognitive radio systems. In this paper, we first provide the performance analysis of such systems over fading channels. We derive the average symbol error probability of dispersed spectrum cognitive radio systems for two cases, where the channel for each frequency diversity band experiences independent and dependent Nakagami- fading. In addition, the derivation is extended to include the effects of modulation type and order by considering M-ary phase-shift keying ( -PSK and M-ary quadrature amplitude modulation -QAM schemes. We then consider the deployment of such cognitive radio systems in an ad hoc fashion. We consider an ad hoc dispersed spectrum cognitive radio network, where the nodes are assumed to be distributed in three dimension (3D. We derive the effective transport capacity considering a cubic grid distribution. Numerical results are presented to verify the theoretical analysis and show the performance of such networks.

Anticorrosive performance of waterborne epoxy coatings containing water-dispersible hexagonal boron nitride (h-BN) nanosheets

Energy Technology Data Exchange (ETDEWEB)

Cui, Mingjun [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); University of Chinese Academy of Sciences, Beijing 100039 (China); Ren, Siming [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); University of Chinese Academy of Sciences, Beijing 100039 (China); Chen, Jia; Liu, Shuan [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Zhang, Guangan [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhao, Haichao, E-mail: zhaohaichao@nimte.ac.cn [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Wang, Liping, E-mail: wangliping@nimte.ac.cn [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Xue, Qunji, E-mail: qjxue@lzb.ac.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China)

2017-03-01

Highlights: • Hexagonal boron nitride nanosheets were well dispersed by using water-soluble carboxylated aniline trimer as dispersant. • The best corrosion performance of waterborne epoxy coatings was achieved with the addition of 1 wt% h-BN. • The decrease of the pores and defects of coating matrix inhibits the diffusion and water absorption of corrosive medium in the coating. - Abstract: Homogenous dispersion of hexagonal boron nitride (h-BN) nanosheets in solvents or in the polymer matrix is crucial to initiate their many applications. Here, homogeneous dispersion of hexagonal boron nitride (h-BN) in epoxy matrix was achieved with a water-soluble carboxylated aniline trimer derivative (CAT{sup −}) as a dispersant, which was attributed to the strong π-π interaction between h-BN and CAT{sup −}, as proved by Raman and UV–vis spectra. Transmission electron microscopy (TEM) analysis confirmed a random dispersion of h-BN nanosheets in the waterborne epoxy coatings. The deterioration process of water-borne epoxy coating with and without h-BN nanosheets during the long-term immersion in 3.5 wt% NaCl solution was investigated by electrochemical measurements and water absorption test. Results implied that the introduction of well dispersed h-BN nanosheets into waterborne epoxy system remarkably improved the corrosion protection performance to substrate. Moreover, 1 wt% BN/EP composite coated substrate exhibited higher impedance modulus (1.3 × 10{sup 6} Ω cm{sup 2}) and lower water absorption (4%) than those of pure waterborne epoxy coating coated electrode after long-term immersion in 3.5 wt% NaCl solution, demonstrating its superior anticorrosive performance. This enhanced anticorrosive performance was mainly ascribed to the improved water barrier property of epoxy coating via incorporating homogeneously dispersed h-BN nanosheets.

Cation-exchanged SAPO-34 for adsorption-based hydrocarbon separations: predictions from dispersion-corrected DFT calculations.

Science.gov (United States)

Fischer, Michael; Bell, Robert G

2014-10-21

The influence of the nature of the cation on the interaction of the silicoaluminophosphate SAPO-34 with small hydrocarbons (ethane, ethylene, acetylene, propane, propylene) is investigated using periodic density-functional theory calculations including a semi-empirical dispersion correction (DFT-D). Initial calculations are used to evaluate which of the guest-accessible cation sites in the chabazite-type structure is energetically preferred for a set of ten cations, which comprises four alkali metals (Li(+), Na(+), K(+), Rb(+)), three alkaline earth metals (Mg(2+), Ca(2+), Sr(2+)), and three transition metals (Cu(+), Ag(+), Fe(2+)). All eight cations that are likely to be found at the SII site (centre of a six-ring) are then included in the following investigation, which studies the interaction with the hydrocarbon guest molecules. In addition to the interaction energies, some trends and peculiarities regarding the adsorption geometries are analysed, and electron density difference plots obtained from the calculations are used to gain insights into the dominant interaction types. In addition to dispersion interactions, electrostatic and polarisation effects dominate for the main group cations, whereas significant orbital interactions are observed for unsaturated hydrocarbons interacting with transition metal (TM) cations. The differences between the interaction energies obtained for pairs of hydrocarbons of interest (such as ethylene-ethane and propylene-propane) deliver some qualitative insights: if this energy difference is large, it can be expected that the material will exhibit a high selectivity in the adsorption-based separation of alkene-alkane mixtures, which constitutes a problem of considerable industrial relevance. While the calculations show that TM-exchanged SAPO-34 materials are likely to exhibit a very high preference for alkenes over alkanes, the strong interaction may render an application in industrial processes impractical due to the large amount

Latitudinal and longitudinal dispersion of energetic auroral protons

Directory of Open Access Journals (Sweden)

D. A. Lorentzen

Full Text Available Using a collision by collision model from Lorentzen et al., the latitudinal and longitudinal dispersion of single auroral protons are calculated. The proton energies varies from 1 to 50 keV, and are released into the atmosphere at 700 km altitude. The dipole magnetic field has a dip-angle of 8 degrees. Results show that the main dispersion region is at high altitudes (300-350 km and occurs during the first few charge exchange collisions. As the proton travels further down the atmosphere the mean free path becomes smaller, and as a result the spreading effect will not be as pronounced. This means that the first few charge exchange collisions fully determines the width of both the latitudinal and longitudinal dispersion. The volume emission rate was calculated for energies between 1 and 50 keV, and it was found that dayside auroral hydrogen emissions rates were approximately 10 times weaker than nightside emission rates. Simulations were also performed to obtain the dependence of the particle dispersion as a function of initial pitch-angle. It was found that the dispersion varies greatly with initial pitch-angle, and the results are summarized in two tables; a main and an extreme dispersion region.

Key words. Ionosphere (auroral ionosphere; · particle precipitation · Space plasma physics · (transport processes

Latitudinal and longitudinal dispersion of energetic auroral protons

Directory of Open Access Journals (Sweden)

D. A. Lorentzen

2000-01-01

Full Text Available Using a collision by collision model from Lorentzen et al., the latitudinal and longitudinal dispersion of single auroral protons are calculated. The proton energies varies from 1 to 50 keV, and are released into the atmosphere at 700 km altitude. The dipole magnetic field has a dip-angle of 8 degrees. Results show that the main dispersion region is at high altitudes (300-350 km and occurs during the first few charge exchange collisions. As the proton travels further down the atmosphere the mean free path becomes smaller, and as a result the spreading effect will not be as pronounced. This means that the first few charge exchange collisions fully determines the width of both the latitudinal and longitudinal dispersion. The volume emission rate was calculated for energies between 1 and 50 keV, and it was found that dayside auroral hydrogen emissions rates were approximately 10 times weaker than nightside emission rates. Simulations were also performed to obtain the dependence of the particle dispersion as a function of initial pitch-angle. It was found that the dispersion varies greatly with initial pitch-angle, and the results are summarized in two tables; a main and an extreme dispersion region.Key words. Ionosphere (auroral ionosphere; · particle precipitation · Space plasma physics · (transport processes

Irradiation performance of uranium-molybdenum alloy dispersion fuels

International Nuclear Information System (INIS)

Almeida, Cirila Tacconi de

2005-01-01

The U-Mo-Al dispersion fuels of Material Test Reactors (MTR) are analyzed in terms of their irradiation performance. The irradiation performance aspects are associated to the neutronic and thermal hydraulics aspects to propose a new core configuration to the IEA-R1 reactor of IPEN-CNEN/SP using U-Mo-Al fuels. Core configurations using U-10Mo-Al fuels with uranium densities variable from 3 to 8 gU/cm 3 were analyzed with the computational programs Citation and MTRCR-IEA R1. Core configurations for fuels with uranium densities variable from 3 to 5 gU/cm 3 showed to be adequate to use in IEA-R1 reactor e should present a stable in reactor performance even at high burn-up. (author)

Anticorrosive performance of waterborne epoxy coatings containing water-dispersible hexagonal boron nitride (h-BN) nanosheets

Science.gov (United States)

Cui, Mingjun; Ren, Siming; Chen, Jia; Liu, Shuan; Zhang, Guangan; Zhao, Haichao; Wang, Liping; Xue, Qunji

2017-03-01

Homogenous dispersion of hexagonal boron nitride (h-BN) nanosheets in solvents or in the polymer matrix is crucial to initiate their many applications. Here, homogeneous dispersion of hexagonal boron nitride (h-BN) in epoxy matrix was achieved with a water-soluble carboxylated aniline trimer derivative (CAT-) as a dispersant, which was attributed to the strong π-π interaction between h-BN and CAT-, as proved by Raman and UV-vis spectra. Transmission electron microscopy (TEM) analysis confirmed a random dispersion of h-BN nanosheets in the waterborne epoxy coatings. The deterioration process of water-borne epoxy coating with and without h-BN nanosheets during the long-term immersion in 3.5 wt% NaCl solution was investigated by electrochemical measurements and water absorption test. Results implied that the introduction of well dispersed h-BN nanosheets into waterborne epoxy system remarkably improved the corrosion protection performance to substrate. Moreover, 1 wt% BN/EP composite coated substrate exhibited higher impedance modulus (1.3 × 106 Ω cm2) and lower water absorption (4%) than those of pure waterborne epoxy coating coated electrode after long-term immersion in 3.5 wt% NaCl solution, demonstrating its superior anticorrosive performance. This enhanced anticorrosive performance was mainly ascribed to the improved water barrier property of epoxy coating via incorporating homogeneously dispersed h-BN nanosheets.

Intraindividual variability across cognitive domains: investigation of dispersion levels and performance profiles in older adults.

Science.gov (United States)

Hilborn, Jennifer V; Strauss, Esther; Hultsch, David F; Hunter, Michael A

2009-05-01

A growing body of research suggests that substantial variability exists among cognitive abilities within individuals. This within-person variability across cognitive domains is termed dispersion. The present study investigated the relationship between aging and dispersion of cognitive functions both quantitatively (overall levels of dispersion) and qualitatively (patterns of dispersion) in a sample of 304 nondemented, older adults aged 64 to 92 years (M = 74.02). Quantitatively, higher levels of dispersion were observed in the old-old adults (aged 75-92 years) and those identified as having experienced cognitive decline, suggesting that dispersion level may serve as a marker of cognitive integrity. Qualitatively, three distinct dispersion profiles were identified through clustering methods, and these were found to be related to demographic, health, and performance characteristics of the individuals, suggesting that patterns of dispersion may be meaningful indicators of individual differences.

Implementation of a model of atmospheric dispersion and dose calculation in the release of radioactive effluents in the Nuclear Centre; Implementacion de un modelo de dispersion atmosferica y calculo de dosis en la liberacion de efluentes radiactivos en el Centro Nuclear

Energy Technology Data Exchange (ETDEWEB)

Cruz L, C. A.

2015-07-01

In the present thesis, the software DERA (Dispersion of Radioactive Effluents into the Atmosphere) was developed in order to calculate the equivalent dose, external and internal, associated with the release of radioactive effluents into the atmosphere from a nuclear facility. The software describes such emissions in normal operation, and not considering the exceptional situations such as accidents. Several tools were integrated for describing the dispersion of radioactive effluents using site meteorological information (average speed and wind direction and the stability profile). Starting with the calculation of the concentration of the effluent as a function of position, DERA estimates equivalent doses using a set of EPA s and ICRP s coefficients. The software contains a module that integrates a database with these coefficients for a set of 825 different radioisotopes and uses the Gaussian method to calculate the effluents dispersion. This work analyzes how adequate is the Gaussian model to describe emissions type -puff-. Chapter 4 concludes, on the basis of a comparison of the recommended correlations of emissions type -puff-, that under certain conditions (in particular with intermittent emissions) it is possible to perform an adequate description using the Gaussian model. The dispersion coefficients (σ{sub y} and σ{sub z}), that using the Gaussian model, were obtained from different correlations given in the literature. Also in Chapter 5 is presented the construction of a particular correlation using Lagrange polynomials, which takes information from the Pasquill-Gifford-Turner curves (PGT). This work also contains a state of the art about the coefficients that relate the concentration with the equivalent dose. This topic is discussed in Chapter 6, including a brief description of the biological-compartmental models developed by the ICRP. The software s development was performed using the programming language Python 2.7, for the Windows operating system (the

Reactor core performance calculating device

International Nuclear Information System (INIS)

Tominaga, Kenji; Bando, Masaru; Sano, Hiroki; Maruyama, Hiromi.

1995-01-01

The device of the present invention can calculate a power distribution efficiently at high speed by a plurality of calculation means while taking an amount of the reactor state into consideration. Namely, an input device takes data from a measuring device for the amount of the reactor core state such as a large number of neutron detectors disposed in the reactor core for monitoring the reactor state during operation. An input data distribution device comprises a state recognition section and a data distribution section. The state recognition section recognizes the kind and amount of the inputted data and information of the calculation means. The data distribution section analyzes the characteristic of the inputted data, divides them into a several groups, allocates them to each of the calculation means for the purpose of calculating the reactor core performance efficiently at high speed based on the information from the state recognition section. A plurality of the calculation means calculate power distribution of each of regions based on the allocated inputted data, to determine the power distribution of the entire reactor core. As a result, the reactor core can be evaluated at high accuracy and at high speed irrespective of the whole reactor core or partial region. (I.S.)

Calculation of nucleon densities in calcium, nickel, and molybdenum isotopes on the basis of the dispersive optical model

Science.gov (United States)

Bespalova, O. V.; Klimochkina, A. A.

2017-09-01

The radial distributions of proton and neutron densities in the even-even isotopes 40-70Ca and 48-78Ni and the analogous distributions of neutron densities in the even-even isotopes 92-138Mo were calculated on the basis of the mean-fieldmodel involving a dispersive optical potential. The respective root-mean-square radii and neutron-skin thicknesses were determined for the nuclei under study. In N > 40 calcium isotopes, the calculated neutron root-mean-square radius exhibits a fast growth with increasing N, and this is consistent with the prediction of the neutron-halo structure in calcium isotopes near the neutron drip line.

The impact of oil dispersant solvent on performance

International Nuclear Information System (INIS)

Fiocco, R.J.; Lessard, R.R.; Canevari, G.P.; Becker, K.W.; Daling, P.S.

1995-01-01

Modern oil spill dispersant formulations are concentrated blends of surface active agents (surfactants) in a solvent carrier system. The surfactants are effective for lowering the interfacial tension of the oil slick and promoting and stabilizing oil-in-water dispersions. The solvent system has 2 key functions: (1) reduce viscosity of the surfactant blend to allow efficient dispersant application, and (2) promote mixing and diffusion of the surfactant blend into the oil film. A more detailed description than previously given in the literature is proposed to explain the mechanism of chemical dispersion and illustrate how the surfactant is delivered by the solvent to the oil-water interface. Laboratory data are presented which demonstrate the variability in dispersing effectiveness due to different solvent composition, particularly for viscous and emulsified test oils with viscosities up to 20,500 mPa·s. Other advantages of improved solvent components can include reduced evaporative losses during spraying, lower marine toxicity and reduced protective equipment requirements. Through this improved understanding of the role of the solvent, dispersants which are more effective over a wider range of oil types are being developed

QT and JT dispersion and cardiac performance in children with neonatal Bartter syndrome: a pilot study.

Science.gov (United States)

Hacihamdioglu, Duygu Ovunc; Fidanci, Kursat; Kilic, Ayhan; Gok, Faysal; Topaloglu, Rezan

2013-10-01

QT dispersion and JT dispersion are simple noninvasive arrhythmogenic markers that can be used to assess the homogeneity of cardiac repolarization. The aim of this study was to assess QT and JT dispersion and their relation with left ventricular systolic and diastolic functions in children with Bartter syndrome (BS). Nine neonatal patients with BS (median age 9.7 years) and 20 controls (median age 8 years) were investigated at rest. Both study and control subjects underwent electrocardiography (ECG) in which the interval between two R waves and QT intervals, corrected QT, QT dispersion, corrected QT dispersion, JT, corrected JT, JT dispersion and corrected JT dispersion were measured with 12-lead ECG. Two-dimensional, Doppler echocardiographic examinations were performed. Patients and controls did not differ for gender and for serum levels of potassium, magnesium, and calcium (p > 0.05). Both study and control subjects had normal echocardiographic examination and baseline myocardial performance indexes. The QT dispersion and JT dispersion were significantly prolonged in patients with BS compared to those of the controls {37.5 ms [interquartile range (IQR) 32.5-40] vs. 25.5 ms (IQR 20-30), respectively, p = 0.014 and 37.5 ms (IQR 27.5-40) vs. 22.5 ms (IQR 20-30), respectively, p = 0.003}. Elevated QT and JT dispersion during asymptomatic and normokalemic periods may be risk factors for the development of cardiac complications and arrhythmias in children with BS. In these patients the need for systematic cardiac screening and management protocol is extremely important for effective prevention.

Accident consequence assessments with different atmospheric dispersion models

International Nuclear Information System (INIS)

Panitz, H.J.

1989-11-01

An essential aim of the improvements of the new program system UFOMOD for Accident Consequence Assessments (ACAs) was to substitute the straight-line Gaussian plume model conventionally used in ACA models by more realistic atmospheric dispersion models. To identify improved models which can be applied in ACA codes and to quantify the implications of different dispersion models on the results of an ACA, probabilistic comparative calculations with different atmospheric dispersion models have been performed. The study showed that there are trajectory models available which can be applied in ACAs and that they provide more realistic results of ACAs than straight-line Gaussian models. This led to a completely novel concept of atmospheric dispersion modelling in which two different distance ranges of validity are distinguished: the near range of some ten kilometres distance and the adjacent far range which are assigned to respective trajectory models. (orig.) [de

DISECA - A Matlab code for dispersive waveform calculations

Czech Academy of Sciences Publication Activity Database

Gaždová, Renata; Vilhelm, J.

2011-01-01

Roč. 38, č. 4 (2011), s. 526-531 ISSN 0266-352X R&D Projects: GA AV ČR IAA300460705 Institutional research plan: CEZ:AV0Z30460519 Keywords : velocity dispersion * synthetic waveform * seismic method Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 0.987, year: 2011 http://www.sciencedirect.com/science/article/pii/S0266352X11000425

Review of specific effects in atmospheric dispersion calculations

International Nuclear Information System (INIS)

Underwood, B.Y.; Cooper, P.J.; Holloway, N.J.; Kaiser, G.D.; Nixon, W.

1985-01-01

This work consists of a series of ten individual review Chapters - written between 1980 and 1983 - together with a summary document linking and overviewing the work. The topics covered are as follows: 'Plume Rise in Nuclear Safety Studies'; 'Dry Deposition'; 'Wet Deposition'; 'Atmospheric Dispersion in Urban Environments'; 'Topographical Effects in Nuclear Safety Studies'; 'Coastal Effects and Transport over Water'; 'Time-Varying Meteorology in Consequence Assessment'; 'Building Effects in Nuclear Safety Studies'; 'Effect of Turning of the Wind with Height on Lateral Dispersion'. Although the reviews are, on the whole, general in approach, emphasis has been given where appropriate to the impact of various phenomena on th assessment of reactor accident consequences. In general the work focusses on the 0-100 km range of distance downwind of the source. The reviews fulfil several functions: they serve as introductions to the subject areas; they outline theoretical and experimental developments; they act as reference documents providing a copious source of references for more detailed investigation of particular points; they raise unresolved technical issues and attempt to indicate principal uncertainties; they point to areas requiring further development. (author)

Results of the Czech-Austrian calculations of BDBA radiological consequences

International Nuclear Information System (INIS)

Carny, P.; Hohenberg, J.-K.

2003-01-01

participates in proceeded comparisons of ingestion doses and procedures for ingestion doses calculations performed in the frame of this Czech-Austrian cooperation. For calculations of the long range radiological consequences under real meteorological conditions there are used by the Czech side and participate in these comparisons codes PTM, RODOS/MATCH and MEDIA (CHMI). Code PTM (Puff Trajectory Model, Lagrangian dispersion model) can be used as part of the code RTARC for modeling of dispersion in medium and large distances. MATCH dispersion model participates in this comparisons as part of RODOS system. Long range dispersion model MEDIA (CHMI) participates as it is basic support instrument for the Czech nuclear regulatory body. An Austrian cooperation consisting of Austrian Research Center Seibersdorf, ZAMG (Austrian Central Institute for Meteorology and Geodynamics), and the Radiation Protection Division in the Ministry of Agriculture, Forestry, Environment and Water Management performed their calculations with the following codes: TAMOS long range dispersion model using ECMWF data and OECOSYS the Austrian version of ECOSYS for dose assessment. In the step I there were performed 3 various exercises: deterministic and probabilistic evaluation of consequences of hypothetical accident source term; extended set of deterministic calculations with Austrian source term 'VVER-1000'; comparison of results of codes HERALD and HAVAR with the code PC Cosyma based an 'LBLOCA scenario'. Results and conclusions are presented in the paper. In the step II and III these have been performed another exercises: calculation of radiological situation after hypothetical accident in Temelin. These calculations have been performed with long range models and real sequence of meteorological situation (wind field) has been chosen for calculations; calculations of relevant radiological parameters at 2 sites an the Czech and at 2 sites an the Austrian territory and comparison of radiation protection

Calculations of the SNL experiments Sup1 and Sup2 with CONTAIN 2

International Nuclear Information System (INIS)

Jacobs, G.; Noebel, R.; Wendlandt, T.

2000-01-01

Post-test calculations using the CONTAIN code were performed for the SNL melt dispersal/DCH tests SUP-1 und SUP-2, resulting in a workable input model for future applications to high-temperature melt dispersal experiments as well as for prototypes with tight annular reactor cavity geometries. (orig.) [de

A Deformation Model of TRU Metal Dispersion Fuel Rod for HYPER

International Nuclear Information System (INIS)

Lee, Byoung Oon; Hwang, Woan; Park, Won S.

2002-01-01

Deformation analysis in fuel rod design is essential to assure adequate fuel performance and integrity under irradiation conditions. An in-reactor performance computer code for a dispersion fuel rod is being developed in the conceptual design stage of blanket fuel for HYPER. In this paper, a mechanistic deformation model was developed and the model was installed into the DIMAC program. The model was based on the elasto-plasticity theory and power-law creep theory. The preliminary deformation calculation results for (TRU-Zr)-Zr dispersion fuel predicted by DIMAC were compared with those of silicide dispersion fuel predicted by DIFAIR. It appeared that the deformation levels for (TRU-Zr)-Zr dispersion fuel were relatively higher than those of silicide fuel. Some experimental tests including in-pile and out-pile experiments are needed for verifying the predictive capability of the DIMAC code. An in-reactor performance analysis computer code for blanket fuel is being developed at the conceptual design stage of blanket fuel for HYPER. In this paper, a mechanistic deformation model was developed and the model was installed into the DIMAC program. The model was based on the elasto-plasticity theory and power-law creep theory. The preliminary deformation calculation results for (TRUZr)- Zr dispersion fuel predicted by DIMAC were compared with those of silicide dispersion fuel predicted by DIFAIR. It appears that the deformation by swelling within fuel meat is very large for both fuels, and the major deformation mechanism at cladding is creep. The swelling strain is almost constant within the fuel meat, and is assumed to be zero in the cladding made of HT9. It is estimated that the deformation levels for (TRU-Zr)-Zr dispersion fuel were relatively higher than those of silicide fuel, and the dispersion fuel performance may be limited by swelling. But the predicted volume change of the (TRU-Zr)-Zr dispersion fuel models is about 6.1% at 30 at.% burnup. The value of cladding

Elastic-resilience-induced dispersion of carbon nanotubes: a novel way of fabricating high performance elastomer

International Nuclear Information System (INIS)

Wu, Siwu; Lin, Tengfei; Guo, Baochun

2013-01-01

State-of-the-art processes cannot achieve rubber/multi-walled carbon nanotube (MWCNT) composites with satisfactory performance by using pristine MWCNTs and conventional processing equipment. In this work, high performance rubber/MWCNT composites featuring a combination of good mechanical properties, electrical and thermal conductivities and damping capacity over a wide temperature range are fabricated based on a well-developed master batch process. It is demonstrated that the MWCNTs are dispersed homogeneously due to the disentanglement induced by well-wetting and shearing, and the elastic-resilience-induced dispersion of the MWCNTs by rubber chains via the novel processing method. To further enhance the efficacy of elastic-resilience-induced dispersion for MWCNTs, a slightly pre-crosslinked network is constructed in the master batch. Consequently, we obtain rubber/MWCNT composites with unprecedented performance by amplifying the reinforcing effect of relatively low MWCNT loading. This work provides a novel insight into the fabrication of high performance functional elastomeric composites with pristine CNTs by taking advantage of the unique elastic resilience of rubber chains as the driving force for the disentanglement of CNTs. (paper)

Atmospheric dispersion of radioactive materials

International Nuclear Information System (INIS)

Chino, Masamichi

1988-01-01

The report describes currently available techniques for predicting the dispersion of accidentally released radioactive materials and techniques for visualization using computer graphics. A simulation study is also made on the dispersion of radioactive materials released from the Chernobyl plant. The simplest models include the Gauss plume model and the puff model, which cannot serve to analyze the effects of the topography, vertical wind shear, temperature inversion layer, etc. Numerical analysis methods using advection and dispersion equations are widely adopted for detailed evaluation of dispersion in an emergency. An objective analysis model or a hydrodynamical model is often used to calculate the air currents which are required to determine the advection. A small system based on the puff model is widely adopted in Europe, where the topography is considered to have only simple effects. A more sophisticated large-sized system is required in nuclear facilities located in an area with more complex topographic features. An emergency system for dispersion calculation should be equipped with a graphic display to serve for quick understanding of the radioactivity distribution. (Nogami, K.)

Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

Science.gov (United States)

Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

2015-06-18

We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

A method to test the performance of an energy-dispersive X-ray spectrometer (EDS).

Science.gov (United States)

Hodoroaba, Vasile-Dan; Procop, Mathias

2014-10-01

A test material for routine performance evaluation of energy-dispersive X-ray spectrometers (EDS) is presented. It consists of a synthetic, thick coating of C, Al, Mn, Cu, and Zr, in an elemental composition that provides interference-free characteristic X-ray lines of similar intensities at 10 kV scanning electron microscope voltage. The EDS energy resolution at the C-K, Mn-Lα, Cu-Lα, Al-K, Zr-Lα, and Mn-Kα lines, the calibration state of the energy scale, and the Mn-Lα/Mn-Kα intensity ratio as a measure for the low-energy detection efficiency are calculated by a dedicated software package from the 10 kV spectrum. Measurements at various input count rates and processor shaping times enable an estimation of the operation conditions for which the X-ray spectrum is not yet corrupted by pile-up events. Representative examples of EDS systems characterized with the test material and the related software are presented and discussed.

Dispersion Distance and the Matter Distribution of the Universe in Dispersion Space.

Science.gov (United States)

Masui, Kiyoshi Wesley; Sigurdson, Kris

2015-09-18

We propose that "standard pings," brief broadband radio impulses, can be used to study the three-dimensional clustering of matter in the Universe even in the absence of redshift information. The dispersion of radio waves as they travel through the intervening plasma can, like redshift, be used as a cosmological distance measure. Because of inhomogeneities in the electron density along the line of sight, dispersion is an imperfect proxy for radial distance and we show that this leads to calculable dispersion-space distortions in the apparent clustering of sources. Fast radio bursts (FRBs) are a new class of radio transients that are the prototypical standard ping and, due to their high observed dispersion, have been interpreted as originating at cosmological distances. The rate of fast radio bursts has been estimated to be several thousand over the whole sky per day and, if cosmological, the sources of these events should trace the large-scale structure of the Universe. We calculate the dispersion-space power spectra for a simple model where electrons and FRBs are biased tracers of the large-scale structure of the Universe, and we show that the clustering signal could be measured using as few as 10 000 events. Such a survey is in line with what may be achieved with upcoming wide-field radio telescopes.

Methods and principles of pigment dispersing to maximize ink opacity and performance

International Nuclear Information System (INIS)

Schaeffer, W.R.

1999-01-01

Four classes of oligomers were evaluated for their pigment dispersing capabilities. These include and aliphatic urethanes, epoxy acrylates, polyesters and a novel class of acrylated resins. This will show that surface tension and chemical structure are major factors influencing pigment and final ink performance properties

Real-time dispersion calculation using the Lagrange model LASAT

International Nuclear Information System (INIS)

Janicke, L.

1987-01-01

The LASAT (Lagrange Simulation of Aerosol Transport) dispersion model demonstrates pollutant transport in the atmosphere by simulating the paths of representative random samples of pollutant particles on the computer as natural as possible. The author demonstrates the generated particle paths and refers to literature for details of the model algorithm. (DG) [de

Technical manual for calculating cooling pond performance

International Nuclear Information System (INIS)

Krstulovich, S.F.

1988-01-01

This manual is produced in response to a growing number of requests for a technical aid to explain methods for simulating cooling pond performance. As such, it is a compilation of reports, charts and graphs developed through the years for use in analyzing situations. Section II contains a report summarizing the factors affecting cooling pond performance and lists statistical parameters used in developing performance simulations. Section III contains the graphs of simulated cooling pond performance on an hourly basis for various combinations of criteria (wind, solar, depth, air temperature and humidity) developed from the report in Section II. Section IV contains correspondence describing how to develop further data from the graphs in Section III, as well as mathematical models for the system of performance calculation. Section V contains the formulas used to simulate cooling pond performances in a cascade arrangement, such as the Fermilab Main Ring ponds. Section VI contains the calculations currently in use to evaluate the Main Ring pond performance based on current flows and Watts loadings. Section VII contains the overall site drawing of the Main Ring cooling ponds with thermal analysis and physical data

Structural investigation of biogenic ferrihydrite nanoparticles dispersion

International Nuclear Information System (INIS)

Balasoiu, M.; Ishchenko, L.A.; Stolyar, S.V.; Iskhakov, R.S.; Rajkher, Yu.L.; Kuklin, A.I.; Solov'ev, D.V.; Arzumanyan, G.M.; Kurkin, T.S.; Aranghel, D.

2010-01-01

Structural properties of biogenic ferrihydrite nanoparticles produced by bacteria Klebsiella oxytoca are investigated. Investigations of morphology and size of particles dispersed in water by means of high-resolution transmission electron microscopy and small angle X-ray scattering measurements were performed. By model calculations followed by fitting procedure the structural parameters of a cylinder of radius R = (4.87 ± 0.02) nm and height L = (2.12 ± 0.04) nm are obtained

A tool for standardized collector performance calculations including PVT

DEFF Research Database (Denmark)

Perers, Bengt; Kovacs, Peter; Olsson, Marcus

2012-01-01

A tool for standardized calculation of solar collector performance has been developed in cooperation between SP Technical Research Institute of Sweden, DTU Denmark and SERC Dalarna University. The tool is designed to calculate the annual performance of solar collectors at representative locations...... can be tested and modeled as a thermal collector, when the PV electric part is active with an MPP tracker in operation. The thermal collector parameters from this operation mode are used for the PVT calculations....

Resonance self-shielding calculation with regularized random ladders

Energy Technology Data Exchange (ETDEWEB)

Ribon, P.

1986-01-01

The straightforward method for calculation of resonance self-shielding is to generate one or several resonance ladders, and to process them as resolved resonances. The main drawback of Monte Carlo methods used to generate the ladders, is the difficulty of reducing the dispersion of data and results. Several methods are examined, and it is shown how one (a regularized sampling method) improves the accuracy. Analytical methods to compute the effective cross-section have recently appeared: they are basically exempt from dispersion, but are inevitably approximate. The accuracy of the most sophisticated one is checked. There is a neutron energy range which is improperly considered as statistical. An examination is presented of what happens when it is treated as statistical, and how it is possible to improve the accuracy of calculations in this range. To illustrate the results calculations have been performed in a simple case: nucleus /sup 238/U, at 300 K, between 4250 and 4750 eV.

Dispersive analysis of the pion transition form factor

Science.gov (United States)

Hoferichter, M.; Kubis, B.; Leupold, S.; Niecknig, F.; Schneider, S. P.

2014-11-01

We analyze the pion transition form factor using dispersion theory. We calculate the singly-virtual form factor in the time-like region based on data for the cross section, generalizing previous studies on decays and scattering, and verify our result by comparing to data. We perform the analytic continuation to the space-like region, predicting the poorly-constrained space-like transition form factor below , and extract the slope of the form factor at vanishing momentum transfer . We derive the dispersive formalism necessary for the extension of these results to the doubly-virtual case, as required for the pion-pole contribution to hadronic light-by-light scattering in the anomalous magnetic moment of the muon.

Numerical methods of estimating the dispersion of radionuclides in atmosphere

International Nuclear Information System (INIS)

Vladu, Mihaela; Ghitulescu, Alina; Popescu, Gheorghe; Piciorea, Iuliana

2007-01-01

Full text: The paper presents the method of dispersion calculation, witch can be applied for the DLE calculation. This is necessary to ensure a secure performance of the Experimental Pilot Plant for Tritium and Deuterium Separation (using the technology for detritiation based upon isotope catalytic exchange between tritiated heavy water and deuterium followed by cryogenic distillation of the hydrogen isotopes). For the calculation of the dispersion of radioactivity effluents in the atmosphere, at a given distance between source and receiver, the Gaussian mathematical model was used. This model is currently applied for estimating the long-term results of dispersion in case of continuous or intermittent emissions as basic information for long-term radioprotection measures for areas of the order of kilometres from the source. We have considered intermittent or continuous emissions of intensity lower than 1% per day relative to the annual emission. It is supposed that the radioactive material released into environment presents a gaussian dispersion both in horizontal and vertical plan. The local dispersion parameters could be determined directly with turbulence measurements or indirectly by determination of atmospheric stability. Weather parameters for characterizing the atmospheric dispersion include: - direction of wind relative to the source; - the speed of the wind at the height of emission; - parameters of dispersion to different distances, depending on the atmospheric turbulence which characterizes the mixing of radioactive materials in the atmosphere; - atmospheric stability range; - the height of mixture stratum; - the type and intensity of precipitations. The choice of the most adequate version of Gaussian model depends on the relation among the height where effluent emission is in progress, H (m), and the height at which the buildings influence the air motion, HB (m). There were defined three zones of distinct dispersion. This zones can have variable lengths

Calculation of the Inelastic Scattering of Neutrons from Polyethylene and Water; Calcul de la diffusion inelastique des neutrons par le polyethylene et l'eau; Raschet neuprugogo rasseyaniya nejtronov poliehtilenom i vodoj; Calculo de la dispersion inelastica de neutrones por polietileno y agua

Energy Technology Data Exchange (ETDEWEB)

Goldman, D T; Federighi, F D [Knolls Atomic Power Laboratory, General Electric Company, Schenectady, NY (United States)

1963-01-15

A model for the calculation of the scattering of thermal neutrons from chemical system was proposed by Nelkin. This model considered the actual dynamics of the scattering system as composed of a set of oscillatory motions, each describable by a Hamiltonian which commuted with each of the others. It was then possible to express the differential scattering cross-section in closed form. This model has been used to calculate the scattering of neutrons by water. Some care must be taken in performing the numerical integration over angle and energy. The scattering model has been extended to the calculation of neutron scattering from polyethylene C{sub n}H{sub 2n}. Analogous levels of polyethylene can be noted at 0.089 eV, 0.182 eV, 0.354 eV, and 0.533 eV. The differential and total cross-sections have been calculated for the scattering and the latter has been seen to be in reasonable agreement with experiment at room temperature. Scattering kernels have been calculated for a number of temperatures and where possible the results have been compared with experiment. In addition, neutron flux spectra and diffusion lengths have been calculated using the equations of reactor physics. Comparison of these Results with experimental data indicates that such integral measurements are indicative of at least the gross features of the scattering system and should be analysed in conduction with the detailed differential cross-section results. (author) [French] Nelkin a propose un modele pour calculer la diffusion de neutrons thermiques dans des systemes chimiques. Dans ce mod and le on considere que la dynamique reelle du systeme de diffusion se compose d'un ensemble de mouvements oscillatoires, chaque mouvement pouvant 6tre decrit par un hamiltonien commutant avec chacun des autres. Il est alors possible d'exprimer la section efficace differentielle de diffusion sous une forme fermee. Les auteurs ont employe ce modele pour calculer la diffusion des neutrons par l'eau. Il faut prendre

Solubility and dissolution performances of spray-dried solid dispersion of Efavirenz in Soluplus.

Science.gov (United States)

Lavra, Zênia Maria Maciel; Pereira de Santana, Davi; Ré, Maria Inês

2017-01-01

Efavirenz (EFV), a first-line anti-HIV drug largely used as part of antiretroviral therapies, is practically insoluble in water and belongs to BCS class II (low solubility/high permeability). The aim of this study was to improve the solubility and dissolution performances of EFV by formulating an amorphous solid dispersion of the drug in polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol graft copolymer (Soluplus ® ) using spray-drying technique. To this purpose, spray-dried dispersions of EFV in Soluplus ® at different mass ratios (1:1.25, 1:7, 1:10) were prepared and characterized using particle size measurements, SEM, XRD, DSC, FTIR and Raman microscopy mapping. Solubility and dissolution were determined in different media. Stability was studied at accelerated conditions (40 °C/75% RH) and ambient conditions for 12 months. DSC and XRD analyses confirmed the EFV amorphous state. FTIR spectroscopy analyses revealed possible drug-polymer molecular interaction. Solubility and dissolution rate of EFV was enhanced remarkably in the developed spray-dried solid dispersions, as a function of the polymer concentration. Spray-drying was concluded to be a proper technique to formulate a physically stable dispersion of amorphous EFV in Soluplus ® , when protected from moisture.

Coupled 3D neutronic and thermohydraulic calculations for a compact fuel element with disperse UMo fuel at FRM II

International Nuclear Information System (INIS)

Breitkreutz, H.; Roehrmoser, A.; Petry, W.

2010-01-01

The newly developed X 2 program system is intended to be used for high-detail 3D calculations on compact research reactor cores. Using this system, the efforts to calculate scenarios for a new fuel element for FRM II using disperse UMo (8wt% Mo, 50% enrichment) are continued. By now, a radial symmetric core model with averaged built-in components for the D 2 O tank is used. Two different scenarios are compared: The minimum fuel density of 7.5 g U/cm 3 and 8.0 g U/cm 3 with 60 days cycle length. In addition, two 'flux loss compensating' scenarios based on 8.0 g U/cm 3 with 10% higher power/longer reactor cycles are regarded. (author)

Thermal behavior analysis of U-Mo/Al dispersion fuel

Energy Technology Data Exchange (ETDEWEB)

Ryu, Ho Jin; Park, Jong Mang; Lee, Yoon Sang; Kim, Chang Kyu [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

2004-07-01

According to the non-proliferation policy under the reduced enrichment for research and test reactors (RERTR) program, low enriched uranium(LEU) fuel such as uranium silicide dispersion fuels are being used in research reactors. Because of a lower enrichment higher uranium density fuels are required for some high performance research reactors. Some uranium alloys with a high uranium density such as U-Mo alloys have been considered as one of the most promising candidates for a dispersion fuel due to the good irradiation performance. An international qualification program to replace the uranium silicide dispersion fuel with U-Mo dispersion fuel is being carried out under the RERTR program. Although U-Mo powders are conventionally supplied by the mechanical comminuting of as-cast U-Mo alloys, KAERI developed a centrifugal atomization method in order to simplify the preparation process and improve the properties. The centrifugally atomized powders have a rapidly solidified gamma uranium structure and a spherical shape. During the in-reactor operation of a dispersion fuel, interdiffusion or chemical reactions between the fuel particles and the matrix occurr. Intermetallic compounds in the form of UAlx are formed as a result of the diffusional reaction. Because the intermetallic compounds are less dense than the combined reactants, the volume of the fuel element increases after the reaction. In addition to the effect on the swelling performance, the reaction layers between the U-Mo and the Al matrix induces a degradation of the thermal properties of the U-Mo/Al dispersion fuels. It is important to investigate the thermal behavior of U-Mo/Al dispersion fuel according to reaction between the fuel particles and the matrix with the burnup and linear power. In this study, a finite element analysis was used for the calculation of the temperature distribution of the U-Mo/Al dispersion fuel with a burnup and linear power. Kinetics data of the reaction layers such as the growth

Thermal behavior analysis of U-Mo/Al dispersion fuel

International Nuclear Information System (INIS)

Ryu, Ho Jin; Park, Jong Mang; Lee, Yoon Sang; Kim, Chang Kyu

2004-01-01

According to the non-proliferation policy under the reduced enrichment for research and test reactors (RERTR) program, low enriched uranium(LEU) fuel such as uranium silicide dispersion fuels are being used in research reactors. Because of a lower enrichment higher uranium density fuels are required for some high performance research reactors. Some uranium alloys with a high uranium density such as U-Mo alloys have been considered as one of the most promising candidates for a dispersion fuel due to the good irradiation performance. An international qualification program to replace the uranium silicide dispersion fuel with U-Mo dispersion fuel is being carried out under the RERTR program. Although U-Mo powders are conventionally supplied by the mechanical comminuting of as-cast U-Mo alloys, KAERI developed a centrifugal atomization method in order to simplify the preparation process and improve the properties. The centrifugally atomized powders have a rapidly solidified gamma uranium structure and a spherical shape. During the in-reactor operation of a dispersion fuel, interdiffusion or chemical reactions between the fuel particles and the matrix occurr. Intermetallic compounds in the form of UAlx are formed as a result of the diffusional reaction. Because the intermetallic compounds are less dense than the combined reactants, the volume of the fuel element increases after the reaction. In addition to the effect on the swelling performance, the reaction layers between the U-Mo and the Al matrix induces a degradation of the thermal properties of the U-Mo/Al dispersion fuels. It is important to investigate the thermal behavior of U-Mo/Al dispersion fuel according to reaction between the fuel particles and the matrix with the burnup and linear power. In this study, a finite element analysis was used for the calculation of the temperature distribution of the U-Mo/Al dispersion fuel with a burnup and linear power. Kinetics data of the reaction layers such as the growth

Design of broadband dispersion flattened fiber for DWDM system: Performance analysis using various modulation formats

Science.gov (United States)

Goel, Aditya; Pandey, Gaurav

2018-05-01

In this paper, unique design of an optimal broadband optical dispersion flattened fiber (DFF) is proposed, which is capable of supporting the data rate of the order of Tb/s. The analysis of the single mode fiber for the design of the proposed DFF has been carried out by employing the quadratic Finite Element Method (FEM) with generalized refractive index (R. I.) profile. The minimization of the dispersion with respect to various profile parameters within the specified wavelength band is the essential optimization criteria. Computations show that a DFF can be designed where the overall dispersion can be restricted within ± 1 ps/km-nm over the entire spectral span ranging from 1290 to 1540 nm (250 nm) exhibiting a very small maximum value of dispersion slope (± 0.02 ps / (nm2-km)) in particular. The detailed performance analysis of the proposed DFF with different modulation techniques has been carried out in order to critically evaluate the performance of the DFF with respect to various significant parameters. The results suggest an excellent design of broadband optical waveguide capable of supporting high-speed data rate (40 Tb/s) through the single DFF, ideally suitable for the long haul dense wavelength division multiplexing (DWDM) optical transmission systems.

Study of Phonon Dispersion Relations in Cuprous Oxide by Inelastic Neutron Scattering

DEFF Research Database (Denmark)

Beg, M. M.; Shapiro, S. M.

1976-01-01

Phonon dispersion relations in Cu2O have been studied at 20°C using inelastic neutron scattering. Seven acoustic branches and twelve optical branches have been studied in detail in the three symmetry directions [00ζ], [ζζ0], and [ζζζ] of the cubic lattice. Four of the six zone-center phonons have...... been observed and the assignments and energies are confirmed as Γ25=87±2 cm-1, Γ12′=105±3 cm-1, Γ15=146±1 cm-1, and Γ2′≈347 cm-1. The dispersion relations agree only qualitatively with the rigid-ion-model calculations. It is suggested that more detailed calculations may be performed in the light...

Calculation of driling and blasting parameters in blasting performance

OpenAIRE

Dambov, Risto; Karanakova Stefanovska, Radmila; Dambov, Ilija

2015-01-01

In all mining technology drilling and blasting parameters and works are one of the main production processes at each mine. The parameters of drilling and blasting and explosives consumption per ton of blasting mass are define economic indicators of any blasting no matter for what purpose and where mining is performed. The calculation of rock blasting should always have in mind that the methodology of calculation of all drilling and blasting parameters in blasting performance are performed for...

Spurious dispersion effects at FLASH

International Nuclear Information System (INIS)

Prat, Eduard

2009-07-01

The performance of the Free-Electron Laser (FEL) process imposes stringent demands on the transverse trajectory and size of the electron beam. Since transverse dispersion changes off-energy particle trajectories and increases the effective beam size, dispersion must be controlled. This thesis treats the concept of dispersion in linacs, and analyses the impact of dispersion on the electron beam and on the FEL process. It presents generation mechanisms for spurious dispersion, quantifying its importance for FLASH (Free-electron Laser in Hamburg) and the XFEL (European X-ray Free-Electron Laser). A method for measuring and correcting dispersion and its implementation in FLASH is described. Experiments of dispersion e ects on the transverse beam quality and on the FEL performance are presented. (orig.)

Spurious dispersion effects at FLASH

Energy Technology Data Exchange (ETDEWEB)

Prat, Eduard

2009-07-15

The performance of the Free-Electron Laser (FEL) process imposes stringent demands on the transverse trajectory and size of the electron beam. Since transverse dispersion changes off-energy particle trajectories and increases the effective beam size, dispersion must be controlled. This thesis treats the concept of dispersion in linacs, and analyses the impact of dispersion on the electron beam and on the FEL process. It presents generation mechanisms for spurious dispersion, quantifying its importance for FLASH (Free-electron Laser in Hamburg) and the XFEL (European X-ray Free-Electron Laser). A method for measuring and correcting dispersion and its implementation in FLASH is described. Experiments of dispersion e ects on the transverse beam quality and on the FEL performance are presented. (orig.)

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

International Nuclear Information System (INIS)

Gerdt, V.P.

1978-01-01

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

Ability of aphasic individuals to perform numerical processing and calculation tasks

Directory of Open Access Journals (Sweden)

Gabriela De Luccia

2014-03-01

Full Text Available Objective To compare performance on EC301 battery calculation task between aphasic subjects and normal controls of the same sex, age, and education. Method Thirty-two aphasic patients who had suffered a single left hemisphere stroke were evaluated. Forty-four healthy volunteers were also selected. All subjects underwent a comprehensive arithmetic battery to assess their numerical and calculation skills. Performances on numerical processing and calculation tasks were then analyzed. Results Aphasic individuals showed changes in their ability to perform numerical processing and calculation tasks that were not observed in the healthy population. Conclusion Compared with healthy subjects of the same age and education level, individuals with aphasia had difficulty performing various tasks that involved numerical processing and calculation.

Reactor performance calculations for water reactors

International Nuclear Information System (INIS)

Hicks, D.

1970-04-01

The principles of nuclear, thermal and hydraulic performance calculations for water cooled reactors are discussed. The principles are illustrated by describing their implementation in the UKAEA PATRIARCH scheme of computer codes. This material was originally delivered as a course of lectures at the Technical University of Helsinki in Summer of 1969.

System performance of new types of dispersion compensating fibres

DEFF Research Database (Denmark)

Peucheret, Christophe; Tokle, Torger; Knudsen, Stig Nissen

2001-01-01

Summary form only given. The management of dispersion and non-linearities is of prime importance in WDM systems. Dispersion compensating fibres (DCF) are extremely attractive when used in conjunction with standard single mode fibres (SMF). New types of DCFs compensating for the dispersion of SMF...... in a 1:1 length ratio have been recently presented and intermediate types of DCF (compensating for SMF in a 1:2 or 1:3 length ratio) have also been designed and fabricated. The properties of the various types of available DCFs with dispersion of -17, -40, -54 and -100 ps/(nm.km), corresponding to SMF......-linear coefficient are significantly reduced. As all these new fibres are designed to be cabled (therefore the DCF is part of the span length), and as it has also been shown that conventional DCF can be cabled successfully, their use in real systems needs to be compared...

The resonance self-shielding calculation with regularized random ladders

International Nuclear Information System (INIS)

Ribon, P.

1986-01-01

The straightforward method for calculation of resonance self-shielding is to generate one or several resonance ladders, and to process them as resolved resonances. The main drawback of Monte Carlo methods used to generate the ladders, is the difficulty of reducing the dispersion of data and results. Several methods are examined, and it is shown how one (a regularized sampling method) improves the accuracy. Analytical methods to compute the effective cross-section have recently appeared: they are basically exempt from dispersion, but are inevitably approximate. The accuracy of the most sophisticated one is checked. There is a neutron energy range which is improperly considered as statistical. An examination is presented of what happens when it is treated as statistical, and how it is possible to improve the accuracy of calculations in this range. To illustrate the results calculations have been performed in a simple case: nucleus 238 U, at 300 K, between 4250 and 4750 eV. (author)

Effects of increased small-scale biomass combustion on local air quality - A theoretical dispersion modelling study

International Nuclear Information System (INIS)

Boman, C.

1997-01-01

The decided phasing out of nuclear power and the goal of reducing CO 2 emissions from fossil fuels causes a substantial estimated increase in the use of biomass fuels for energy production. Thus, a significant shift from small scale heating generated by electricity or fuel oil to biomass fuels is desirable. If a drastic deterioration of the local air quality is to be avoided, a reduction of today's emission limits is necessary. The objective of this report was therefore to describe the use of biomass fuels and small scale pellet fuel combustion, to make a theoretical study of the effects of increased pellets heating on the air quality in a residential area, and to discuss necessary emission limits for small biomass fuel plants. The general description is based on literature studies. In the theoretical study, several different dispersion model calculations were performed using the computer program Dispersion 1.1.0. The contents of tar and total hydrocarbons (THC) in the air were calculated for different scenarios with conversion from electricity to pellets and with different pellet plant performance. A sensitivity analysis was performed with additional variables and dispersion calculations according to an underlying statistical experimental design. The modeling and design computer program MODDE was used to facilitate design, evaluation and illustration of the calculated results. The results show that a substantial increase in the use of small scale pellets heating with worst calculated plant performance, will lead to a drastic increase of the content of hydrocarbons in the air. Thus, with best available performance, the content only increases marginally. Conversion from electricity to pellets, plant performance and time of year were the most influential variables. Also conversion from wood to pellets showed a significant effect, despite the small number of wood heated houses within the studied area. If a significant deterioration of the air quality is to be avoided

Dispersion correction derived from first principles for density functional theory and Hartree-Fock theory.

Science.gov (United States)

Guidez, Emilie B; Gordon, Mark S

2015-03-12

The modeling of dispersion interactions in density functional theory (DFT) is commonly performed using an energy correction that involves empirically fitted parameters for all atom pairs of the system investigated. In this study, the first-principles-derived dispersion energy from the effective fragment potential (EFP) method is implemented for the density functional theory (DFT-D(EFP)) and Hartree-Fock (HF-D(EFP)) energies. Overall, DFT-D(EFP) performs similarly to the semiempirical DFT-D corrections for the test cases investigated in this work. HF-D(EFP) tends to underestimate binding energies and overestimate intermolecular equilibrium distances, relative to coupled cluster theory, most likely due to incomplete accounting for electron correlation. Overall, this first-principles dispersion correction yields results that are in good agreement with coupled-cluster calculations at a low computational cost.

Magnetic fluid with high dispersion and heating performance using nano-sized Fe{sub 3}O{sub 4} platelets

Energy Technology Data Exchange (ETDEWEB)

Kishimoto, Mikio, E-mail: kishimoto.mikio.gb@u.tsukuba.ac.jp [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Miyamoto, Ryoichi; Oda, Tatsuya [Department of Surgery, Division of Medicine, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Yanagihara, Hideto [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Ohkohchi, Nobuhiro [Department of Surgery, Division of Medicine, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Kita, Eiji [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan)

2016-01-15

Magnetic fluid with high dispersion and heating performance was developed using 30 to 50 nm platelet Fe{sub 3}O{sub 4} particles. This fluid was prepared by mechanical dispersion in ethyl alcohol with a silane coupling agent, bonding with polyethylene glycol (PEG), and removal of aggregates formed by precipitation. The peak diameter of the resulting Fe{sub 3}O{sub 4} particles, measured by dynamic light scattering, was approximately 150 nm. The fluid exhibited a 300 W/g specific loss power (measured at 114 kHz by a 50.9 kA/m magnetic field). Distribution of the Fe{sub 3}O{sub 4} particles in tissues was observed by intravenously administrating the fluid in mice. The Fe{sub 3}O{sub 4} particles passed through the lungs, and were uniformly distributed throughout the liver and spleen. High dispersion and high heating performance were simultaneously achieved in the magnetic fluid using platelet Fe{sub 3}O{sub 4} particles surface modified with PEG. - Highlights: • Magnetic fluid with high dispersion and heating performance using Fe{sub 3}O{sub 4} particles. • Fluid prepared by mechanical dispersion, bonding with polyethylene glycol. • TEM observation and measurements of particle size distribution and specific loss power of fluid. • Observation of distribution of particles in mice tissues intravenously administrated fluid.

DEM analysis of the effect of particle-wall impact on the dispersion performance in carrier-based dry powder inhalers.

Science.gov (United States)

Yang, Jiecheng; Wu, Chuan-Yu; Adams, Michael

2015-06-20

The impact between particles or agglomerates and a device wall is considered as an important mechanism controlling the dispersion of active pharmaceutical ingredient (API) particles in dry powder inhalers (DPIs). In order to characterise the influencing factors and better understand the impact induced dispersion process for carrier-based DPIs, the impact behaviour between an agglomerate and a wall is systematically investigated using the discrete element method. In this study, a carrier-based agglomerate is initially formed and then allowed to impact with a target wall. The effects of impact velocity, impact angle and work of adhesion on the dispersion performance are analysed. It is shown that API particles in the near-wall regions are more likely to be dispersed due to the deceleration of the carrier particle resulted from the impact with the wall. It is also revealed that the dispersion ratio increases with increasing impact velocity and impact angle, indicating that the normal component of the impact velocity plays a dominant role on the dispersion. Furthermore, the impact induced dispersion performance for carrier-based DPI formulations can be well approximated using a cumulative Weibull distribution function that is governed by the ratio of overall impact energy and adhesion energy. Copyright © 2015 Elsevier B.V. All rights reserved.

Preparation of highly dispersed palladium–phosphorus nanoparticles and its electrocatalytic performance for formic acid electrooxidation

International Nuclear Information System (INIS)

Sun Hanjun; Xu Jiangfeng; Fu Gengtao; Mao Xinbiao; Zhang, Lu; Chen Yu; Zhou Yiming; Lu Tianhong; Tang Yawen

2012-01-01

Highly dispersed and ultrafine palladium–phosphorus (Pd–P) nanoparticles (NPs) are prepared with a novel phosphorus reduction method. The structural and electronic properties of Pd–P NPs are characterized using Fourier transform infrared (FT-IR), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). The electrooxidation of formic acid on Pd–P NPs are investigated by using cyclic voltammetry, chronoamperometry and CO-stripping measurements. The physical characterizations indicate the doped P element can enhance the content of Pd 0 species in Pd NPs, decrease the particle size and improve the dispersion of Pd–P NPs. The electrochemical measurements show the Pd–P NPs have a better catalytic performance for formic acid electrooxidation than Pd NPs.

Study of high-performance canonical molecular orbitals calculation for proteins

Science.gov (United States)

Hirano, Toshiyuki; Sato, Fumitoshi

2017-11-01

The canonical molecular orbital (CMO) calculation can help to understand chemical properties and reactions in proteins. However, it is difficult to perform the CMO calculation of proteins because of its self-consistent field (SCF) convergence problem and expensive computational cost. To certainly obtain the CMO of proteins, we work in research and development of high-performance CMO applications and perform experimental studies. We have proposed the third-generation density-functional calculation method of calculating the SCF, which is more advanced than the FILE and direct method. Our method is based on Cholesky decomposition for two-electron integrals calculation and the modified grid-free method for the pure-XC term evaluation. By using the third-generation density-functional calculation method, the Coulomb, the Fock-exchange, and the pure-XC terms can be given by simple linear algebraic procedure in the SCF loop. Therefore, we can expect to get a good parallel performance in solving the SCF problem by using a well-optimized linear algebra library such as BLAS on the distributed memory parallel computers. The third-generation density-functional calculation method is implemented to our program, ProteinDF. To achieve computing electronic structure of the large molecule, not only overcoming expensive computation cost and also good initial guess for safe SCF convergence are required. In order to prepare a precise initial guess for the macromolecular system, we have developed the quasi-canonical localized orbital (QCLO) method. The QCLO has the characteristics of both localized and canonical orbital in a certain region of the molecule. We have succeeded in the CMO calculations of proteins by using the QCLO method. For simplified and semi-automated calculation of the QCLO method, we have also developed a Python-based program, QCLObot.

Stability of nano-metric colloidal dispersions of titanium: effect of surface complexation

International Nuclear Information System (INIS)

Peyre, Veronique

1996-01-01

This research thesis reports the study of the adsorption of small organic molecules at the surface of nano-particles of mineral oxides (zirconia), and of its effects on the stability of the colloidal dispersion. Adsorption has been quantified by adsorption isotherms and surface titrations. Processes and mechanisms are thus discussed with respect to pH. The influence of various protecting molecules (acetyl acetone, but also acetic acid, citric acid and diethanolamine) has been studied, and notably highlighted the role of the outer face of the complexing agent in the assessment of reactions between particles which govern the compression and re-dispersability properties of protected dispersions. This study is performed by osmotic pressure measurements and by X-ray diffusion at small angles, completed by statistical mechanics calculations [fr

Calculation of Post-Closure Natural Convection Heat and Mass Transfer in Yucca Mountain Drifts

International Nuclear Information System (INIS)

Webb, S.; Itamura, M.

2004-01-01

Natural convection heat and mass transfer under post-closure conditions has been calculated for Yucca Mountain drifts using the computational fluid dynamics (CFD) code FLUENT. Calculations have been performed for 300, 1000, 3000, and 10,000 years after repository closure. Effective dispersion coefficients that can be used to calculate mass transfer in the drift have been evaluated as a function of time and boundary temperature tilt

A sensitivity analysis of volcanic aerosol dispersion in the stratosphere. [Mt. Fuego, Guatemala eruptions

Science.gov (United States)

Butler, C. F.

1979-01-01

A computer sensitivity analysis was performed to determine the uncertainties involved in the calculation of volcanic aerosol dispersion in the stratosphere using a 2 dimensional model. The Fuego volcanic event of 1974 was used. Aerosol dispersion processes that were included are: transport, sedimentation, gas phase sulfur chemistry, and aerosol growth. Calculated uncertainties are established from variations in the stratospheric aerosol layer decay times at 37 latitude for each dispersion process. Model profiles are also compared with lidar measurements. Results of the computer study are quite sensitive (factor of 2) to the assumed volcanic aerosol source function and the large variations in the parameterized transport between 15 and 20 km at subtropical latitudes. Sedimentation effects are uncertain by up to a factor of 1.5 because of the lack of aerosol size distribution data. The aerosol chemistry and growth, assuming that the stated mechanisms are correct, are essentially complete in several months after the eruption and cannot explain the differences between measured and modeled results.

Optimized dispersion of conductive agents for enhanced Li-storage performance of TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Han, Moyan; Chen, Ge, E-mail: chenge@bjut.edu.cn

2016-12-01

Highlights: • A novel TiO{sub 2}/carbon (TiO{sub 2}/C) composite has been synthesized by a layer-by-layer deposition method combined with electrostatic interaction. • As anode materials for Li-ion batteries, the TiO{sub 2}/C composites exhibit excellent rate capability and cycling stability. • The enhanced electrochemical performance may be attributed to the well-dispersed carbon conductive framework. - Abstract: Novel TiO{sub 2}/carbon (TiO{sub 2}/C) composites have been synthesized by a layer-by-layer deposition method, with electrostatic interaction. The addition of carbon conductive agents enhances the electrochemical performance of TiO{sub 2}. Carbon for these has been sourced 0D nitrogen-doped carbon, 1D carbon nanotubes and 2D graphene. The as-obtained TiO{sub 2}/C composites show carbon nanotubes and titanium dioxide coaxial nanocables anchored on the graphene. The nitrogen-doped carbon is uniformly dispersed on the nanocables. As anode materials for Li-ion batteries, the TiO{sub 2}/C composites exhibit excellent rate capability and cycling stability. A capacity of 150 mAh/g is retained at a current density of 4 A/g. The enhanced electrochemical performance may be attributed to the well-dispersed carbon conductive framework, which facilitates charge transfer during the lithium insertion/extraction process.

High-performance 3D printing of hydrogels by water-dispersible photoinitiator nanoparticles.

Science.gov (United States)

Pawar, Amol A; Saada, Gabriel; Cooperstein, Ido; Larush, Liraz; Jackman, Joshua A; Tabaei, Seyed R; Cho, Nam-Joon; Magdassi, Shlomo

2016-04-01

In the absence of water-soluble photoinitiators with high absorbance in the ultraviolet (UV)-visible range, rapid three-dimensional (3D) printing of hydrogels for tissue engineering is challenging. A new approach enabling rapid 3D printing of hydrogels in aqueous solutions is presented on the basis of UV-curable inks containing nanoparticles of highly efficient but water-insoluble photoinitiators. The extinction coefficient of the new water-dispersible nanoparticles of 2,4,6-trimethylbenzoyl-diphenylphosphine oxide (TPO) is more than 300 times larger than the best and most used commercially available water-soluble photoinitiator. The TPO nanoparticles absorb significantly in the range from 385 to 420 nm, making them suitable for use in commercially available, low-cost, light-emitting diode-based 3D printers using digital light processing. The polymerization rate at this range is very fast and enables 3D printing that otherwise is impossible to perform without adding solvents. The TPO nanoparticles were prepared by rapid conversion of volatile microemulsions into water-dispersible powder, a process that can be used for a variety of photoinitiators. Such water-dispersible photoinitiator nanoparticles open many opportunities to enable rapid 3D printing of structures prepared in aqueous solutions while bringing environmental advantages by using low-energy curing systems and avoiding the need for solvents.

Atmospheric dispersion of radionuclides released by a nuclear plant

International Nuclear Information System (INIS)

Barboza, A.A.

1989-01-01

A numerical model has been developed to simulate the atmospheric dispersion of radionuclides released by a nuclear plant operating under normal conditions. The model, based on gaussian plume representation, accouts for and evaluates several factors which affect the concentraction of effluents in the atmosphere, such as: ressuspension, deposition, radioactive decay, energy and type of the radiation emitted, among others. The concentraction of effluents in the atmosphere is calculated for a uniform mesh of points around the plant, allowing the equivalent doses to be then evaluated. Simulations of the atmosphere dispersion of radioactive plumes of Cs 137 and Ar 41 have been performed assuming a constant rate of release, as expected from the normal operation of a nuclear plant. Finally, this work analyzes the equivalent doses at ground level due to the dispersion of Cs 137 and Ar 41 , accumulated over one year and determines the isodose curves for a hypothetical site. (author) [pt

Dispersion of radioactive materials in air and water

International Nuclear Information System (INIS)

Tolksdorf, P.; Meurin, G.

1976-01-01

A review of current analytical methods for treating the dispersion of radioactive material in air and water is given. It is shown that suitable calculational models, based on experiments, exist for the dispersion in air. By contrast, the analysis of the dispersion of radioactive material in water still depends on the evaluation of experiments with site-specific models. (orig.) [de

An efficient quasi-3D particle tracking-based approach for transport through fractures with application to dynamic dispersion calculation.

Science.gov (United States)

Wang, Lichun; Cardenas, M Bayani

2015-08-01

The quantitative study of transport through fractured media has continued for many decades, but has often been constrained by observational and computational challenges. Here, we developed an efficient quasi-3D random walk particle tracking (RWPT) algorithm to simulate solute transport through natural fractures based on a 2D flow field generated from the modified local cubic law (MLCL). As a reference, we also modeled the actual breakthrough curves (BTCs) through direct simulations with the 3D advection-diffusion equation (ADE) and Navier-Stokes equations. The RWPT algorithm along with the MLCL accurately reproduced the actual BTCs calculated with the 3D ADE. The BTCs exhibited non-Fickian behavior, including early arrival and long tails. Using the spatial information of particle trajectories, we further analyzed the dynamic dispersion process through moment analysis. From this, asymptotic time scales were determined for solute dispersion to distinguish non-Fickian from Fickian regimes. This analysis illustrates the advantage and benefit of using an efficient combination of flow modeling and RWPT. Copyright © 2015 Elsevier B.V. All rights reserved.

Predicted irradiation behavior of U3O8-Al dispersion fuels for production reactor applications

International Nuclear Information System (INIS)

Cronenberg, A.W.; Rest, J.

1990-01-01

Candidate fuels for the new heavy-water production reactor include uranium/aluminum alloy and U 3 O 8 -Al dispersion fuels. The U 3 O 8 -Al dispersion fuel would make possible higher uranium loadings and would facilitate uranium recycle. Research efforts on U 3 O 8 -Al fuel include in-pile irradiation studies and development of analytical tools to characterize the behavior of dispersion fuels at high-burnup. In this paper the irradiation performance of U 3 O 8 -Al is assessed using the mechanistic Dispersion Analysis Research Tool (DART) code. Predictions of fuel swelling and alteration of thermal conductivity are presented and compared with experimental data. Calculational results indicate good agreement with available data where the effects of as-fabricated porosity and U 3 O 8 -Al oxygen exchange reactions are shown to exert a controlling influence on irradiation behavior. The DART code is judged to be a useful tool for assessing U 3 O 8 -Al performance over a wide range of irradiation conditions

Development of PRIME for irradiation performance analysis of U-Mo/Al dispersion fuel

Science.gov (United States)

Jeong, Gwan Yoon; Kim, Yeon Soo; Jeong, Yong Jin; Park, Jong Man; Sohn, Dong-Seong

2018-04-01

A prediction code for the thermo-mechanical performance of research reactor fuel (PRIME) has been developed with the implementation of developed models to analyze the irradiation behavior of U-Mo dispersion fuel. The code is capable of predicting the two-dimensional thermal and mechanical performance of U-Mo dispersion fuel during irradiation. A finite element method was employed to solve the governing equations for thermal and mechanical equilibria. Temperature- and burnup-dependent material properties of the fuel meat constituents and cladding were used. The numerical solution schemes in PRIME were verified by benchmarking solutions obtained using a commercial finite element analysis program (ABAQUS). The code was validated using irradiation data from RERTR, HAMP-1, and E-FUTURE tests. The measured irradiation data used in the validation were IL thickness, volume fractions of fuel meat constituents for the thermal analysis, and profiles of the plate thickness changes and fuel meat swelling for the mechanical analysis. The prediction results were in good agreement with the measurement data for both thermal and mechanical analyses, confirming the validity of the code.

Dispersion of nanoparticulate suspensions using self-assembled surfactant aggregates

Science.gov (United States)

Singh, Pankaj Kumar

The dispersion of particles is critical for several industrial applications such as paints, inks, coatings, and cosmetics. Several emerging applications such as abrasives for precision polishing, and drug delivery systems are increasingly relying on nanoparticulates to achieve the desired performance. In the case of nanoparticles, the dispersion becomes more challenging because of the lack of fundamental understanding of dispersant adsorption and interparticle force prediction. Additionally, many of these processes use severe processing environments such as high normal forces (>100 mN/m), high shear forces (>10,000 s -1), and high ionic strengths (>0.1 M). Under such processing conditions, traditionally used dispersants based on electrostatics, and steric force repulsion mechanism may not be adequate. Hence, the development of optimally performing dispersants requires a fundamental understanding of the dispersion mechanism at the atomic/molecular scale. This study explores the use of self-assembled surfactant aggregates at the solid-liquid interface for dispersing nanoparticles in severe processing environments. Surfactant molecules can provide a feasible alternative to polymeric or inorganic dispersants for stabilizing ultrafine particles. The barrier to aggregation in the presence of surfactant molecules was measured using atomic force microscopy. The barrier heights correlated to suspension stability. To understand the mechanism for nanoparticulate suspension stability in the presence of surfactant films, the interface was characterized using zeta potential, contact angle, adsorption, and FT-IR (adsorbed surfactant film structure measurements). The effect of solution conditions such as pH and ionic strength on the suspension stability, and the self-assembled surfactant films was also investigated. It was determined that a transition from a random to an ordered orientation of the surfactant molecules at the interface was responsible for stability of

Meteorological Uncertainty of atmospheric Dispersion model results (MUD)

DEFF Research Database (Denmark)

Havskov Sørensen, Jens; Amstrup, Bjarne; Feddersen, Henrik

The MUD project addresses assessment of uncertainties of atmospheric dispersion model predictions, as well as optimum presentation to decision makers. Previously, it has not been possible to estimate such uncertainties quantitatively, but merely to calculate the 'most likely' dispersion scenario....

Determination of continuous complex refractive index dispersion of biotissue based on internal reflection

Science.gov (United States)

Deng, Zhichao; Wang, Jin; Ye, Qing; Sun, Tengqian; Zhou, Wenyuan; Mei, Jianchun; Zhang, Chunping; Tian, Jianguo

2016-01-01

The complex refractive index dispersion (CRID), which contains the information on the refractive index dispersion and extinction coefficient spectra, is an important optical parameter of biotissue. However, it is hard to perform the CRID measurement on biotissues due to their high scattering property. Continuous CRID measurement based on internal reflection (CCRIDM-IR) is introduced. By using a lab-made apparatus, internal reflectance spectra of biotissue samples at multiple incident angles were detected, from which the continuous CRIDs were calculated based on the Fresnel formula. Results showed that in 400- to 750-nm range, hemoglobin solution has complicated dispersion and extinction coefficient spectra, while other biotissues have normal dispersion properties, and their extinction coefficients do not vary much with different wavelengths. The normal dispersion can be accurately described by several coefficients of dispersion equations (Cauchy equation, Cornu equation, and Conrady equation). To our knowledge, this is the first time that the continuous CRID of scattering biotissue over a continuous spectral region is measured, and we hereby have proven that CCRIDM-IR is a good method for continuous CRID research of biotissue.

Neutronic, thermal-hydraulics and accident analysis calculations for an irradiation device to be used in the qualification process of dispersion fuels in the IEA-R1 research reactor

Energy Technology Data Exchange (ETDEWEB)

Domingos, Douglas Borges; Silva, Antonio Teixeira e; Umbehaun, Pedro Ernesto; Silva, Jose Eduardo Rosa da; Conti, Thadeu das Neves; Yamaguchi, Mitsuo [Instituto de Pesquisas Energeticas e Nucleares (IPEN-CNEN/SP), Sao Paulo, SP (Brazil)], e-mail: douglasborgesdomingos@yahoo.com.br

2009-07-01

Neutronic, thermal-hydraulics and accident analysis calculations were developed to estimate the safety of an irradiation device placed in the IEA-R1 reactor core. The irradiation device will be used to receive miniplates of U{sub 3}O{sub 8}-Al e U{sub 3}Si{sub 2}-Al dispersion fuels, LEU type (19.9% of {sup 235}U), with uranium densities of, respectively, 3.0 gU/cm{sup 3} and 4.8gU/cm{sup 3}. The fuel miniplates will be irradiated to nominal {sup 235}U burnup levels of 50% and 80%, in order to qualify the above high-density dispersion fuels to be used in the Brazilian Multipurpose Reactor, now in the conception phase. For the neutronic calculation, the computer code CITATION was utilized. The computer code FLOW was used to calculate the coolant flow rate in the irradiation device, allowing the determination of the fuel miniplate temperatures with the computer model MTRCR-IEA-R1. A postulated Loss of Coolant Accident (LOCA) was analyzed with the computer codes LOSS and TEMPLOCA, allowing the calculation of the fuel miniplate temperatures after the reactor pool draining. The calculations showed that the irradiation of the fuel miniplates will happen without any adverse consequence in the IEA-R1 reactor. (author)

Hazardous materials package performance regulations

International Nuclear Information System (INIS)

Russell, N.A.; Glass, R.E.; McClure, J.D.; Finley, N.C.

1993-01-01

Two regulatory philosophies, one based on 'specification' packaging standards and the other based on 'performance' packaging standards, currently define the hazmat packaging certification process. A main concern when setting performance standards is determining the appropriate standards necessary to assure adequate public protection. This paper discusses a Hazmat Packaging Performance Evaluation (HPPE) project being conducted at Sandia National Laboratories for the U.S. Department of Transportation Research and Special Programs Administration. In this project, the current bulk packagings (larger than 2000 gallons) for transporting Materials Extremely Toxic By Inhalation (METBI) are being evaluated and performance standards will be recommended. A computer software system, HazCon, has been developed which can calculate the dispersion of dense, neutral, and buoyant gases. HazCon also has a database of thermodynamic and toxicity data for the METBI materials, a user-friendly menu-driven format for creating input data sets for calculating dispersion of the METBI in the event of an accidental release, and a link between the METBI database and the dense gas dispersion code (which requires thermodynamic properties). The primary output of HazCon is a listing of mass concentrations of the released material at distances downwind from the release point. (J.P.N.)

Phonon dispersion relations for caesium thiocyanate

International Nuclear Information System (INIS)

Irving, M.A.; Smith, T.F.; Elcombe, M.M.

1984-01-01

Room temperature phonon dispersion relations for frequencies below 2 THz have been measured, along the three orthorhombic axes and selected diagonal directions by neutron inelastic scattering, for caesium thiocyanate. These curves, which represent 13 acoustic modes and 11 optic modes of vibration, do not agree with the dispersion behaviour calculated from the rigid-ion model developed by Ti and Ra to describe their Raman scattering observations

Dispersion correction through movement of the closed orbit

International Nuclear Information System (INIS)

Parzen, G.

1980-01-01

The closed orbit correction system can be used to correct the vertical dispersion by displacing the orbit at the quadrupoles and sextupoles. The accuracy of the results have been verified by comparison with exact calculations. Results for correcting the horizontal dispersion are also given

CVFEM for Multiphase Flow with Disperse and Interface Tracking, and Algorithms Performances

Directory of Open Access Journals (Sweden)

M. Milanez

2015-12-01

Full Text Available A Control-Volume Finite-Element Method (CVFEM is newly formulated within Eulerian and spatial averaging frameworks for effective simulation of disperse transport, deposit distribution and interface tracking. Their algorithms are implemented alongside an existing continuous phase algorithm. Flow terms are newly implemented for a control volume (CV fixed in a space, and the CVs' equations are assembled based on a finite element method (FEM. Upon impacting stationary and moving boundaries, the disperse phase changes its phase and the solver triggers identification of CVs with excess deposit and their neighboring CVs for its accommodation in front of an interface. The solver then updates boundary conditions on the moving interface as well as domain conditions on the accumulating deposit. Corroboration of the algorithms' performances is conducted on illustrative simulations with novel and existing Eulerian and Lagrangian solutions, such as (- other, i. e. external methods with analytical and physical experimental formulations, and (- characteristics internal to CVFEM.

Anomalous dispersion enhanced Cerenkov phase-matching

Energy Technology Data Exchange (ETDEWEB)

Kowalczyk, T.C.; Singer, K.D. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Physics; Cahill, P.A. [Sandia National Labs., Albuquerque, NM (United States)

1993-11-01

The authors report on a scheme for phase-matching second harmonic generation in polymer waveguides based on the use of anomalous dispersion to optimize Cerenkov phase matching. They have used the theoretical results of Hashizume et al. and Onda and Ito to design an optimum structure for phase-matched conversion. They have found that the use of anomalous dispersion in the design results in a 100-fold enhancement in the calculated conversion efficiency. This technique also overcomes the limitation of anomalous dispersion phase-matching which results from absorption at the second harmonic. Experiments are in progress to demonstrate these results.

Dispersion relations in three-particle systems

International Nuclear Information System (INIS)

Grach, I.L.; Harodetskij, I.M.; Shmatikov, M.Zh.

1979-01-01

Positions of all dynamical singularities of the triangular nonrelativistic diagram are calculated including the form factors. The jumps of the amplitude are written in an analitical form. The dispersion method predictions for bound states in the three-particle system are compared with the results of the Amado exactly solvable model. It is shown that the one-channel N/D method is equivalent to the pole approximation in the Amado model, and that the three-particle s channel unitarity should be taken into account calculating (in the dispersion method) the ground and excited states of the three-particle system. The relation of the three-particle unitary contribution to the Thomas theorem and Efimov effect is briefly discussed

Development of PRIME for irradiation performance analysis of U-Mo/Al dispersion fuel

Energy Technology Data Exchange (ETDEWEB)

Jeong, Gwan Yoon; Kim, Yeon Soo; Jeong, Yong Jin; Park, Jong Man; Sohn, Dong-Seong

2018-04-01

A prediction code for the thermo-mechanical performance of research reactor fuel (PRIME) has been developed with the implementation of developed models to analyze the irradiation behavior of U-Mo dispersion fuel. The code is capable of predicting the two-dimensional thermal and mechanical performance of U-Mo dispersion fuel during irradiation. A finite element method was employed to solve the governing equations for thermal and mechanical equilibria. Temperature-and burnup-dependent material properties of the fuel meat constituents and cladding were used. The numerical solution schemes in PRIME were verified by benchmarking solutions obtained using a commercial finite element analysis program (ABAQUS).The code was validated using irradiation data from RERTR, HAMP-1, and E-FUTURE tests. The measured irradiation data used in the validation were IL thickness, volume fractions of fuel meat constituents for the thermal analysis, and profiles of the plate thickness changes and fuel meat swelling for the mechanical analysis. The prediction results were in good agreement with the measurement data for both thermal and mechanical analyses, confirming the validity of the code. (c) 2018 Elsevier B.V. All rights reserved.

Dispersion in a thermal plasma including arbitrary degeneracy and quantum recoil.

Science.gov (United States)

Melrose, D B; Mushtaq, A

2010-11-01

The longitudinal response function for a thermal electron gas is calculated including two quantum effects exactly, degeneracy, and the quantum recoil. The Fermi-Dirac distribution is expanded in powers of a parameter that is small in the nondegenerate limit and the response function is evaluated in terms of the conventional plasma dispersion function to arbitrary order in this parameter. The infinite sum is performed in terms of polylogarithms in the long-wavelength and quasistatic limits, giving results that apply for arbitrary degeneracy. The results are applied to the dispersion relations for Langmuir waves and to screening, reproducing known results in the nondegenerate and completely degenerate limits, and generalizing them to arbitrary degeneracy.

INFLUENCE OF POLYMERIC-DISPERSED REINFORCEMENT ADDITIVES ON THE PERFORMANCE CHARACTERISTICS OF ASPHALT CONCRETE

Directory of Open Access Journals (Sweden)

Chernov Sergey Anatolevych

2017-07-01

Full Text Available The technique and results of the studies of the influence of a polymeric-dispersed reinforcement additive on the performance characteristics of road hot asphalt concrete, namely, its resistance to fatigue failures, rutting and development of residual deformation are described. It is shown that the proposed method of modification of asphalt-concrete mixtures ensures an increase in the durability of layers of pavement road surface.

Investigating the Dissolution Performance of Amorphous Solid Dispersions Using Magnetic Resonance Imaging and Proton NMR

Directory of Open Access Journals (Sweden)

Francesco Tres

2015-09-01

Full Text Available We have investigated the dissolution performance of amorphous solid dispersions of poorly water-soluble bicalutamide in a Kollidon VA64 polymeric matrix as a function of the drug loading (5% vs. 30% bicalutamide. A combined suite of state-of-the-art analytical techniques were employed to obtain a clear picture of the drug release, including an integrated magnetic resonance imaging UV-Vis flow cell system and 1H-NMR. Off-line 1H-NMR was used for the first time to simultaneously measure the dissolution profiles and rates of both the drug and the polymer from a solid dispersion. MRI and 1H-NMR data showed that the 5% drug loading compact erodes linearly, and that bicalutamide and Kollidon VA64 are released at approximately the same rate from the molecular dispersion. For the 30% extrudate, data indicated a slower water ingress into the compact which corresponds to a slower dissolution rate of both bicalutamide and Kollidon VA64.

Dispersion modeling by kinematic simulation: Cloud dispersion model

International Nuclear Information System (INIS)

Fung, J C H; Perkins, R J

2008-01-01

A new technique has been developed to compute mean and fluctuating concentrations in complex turbulent flows (tidal current near a coast and deep ocean). An initial distribution of material is discretized into any small clouds which are advected by a combination of the mean flow and large scale turbulence. The turbulence can be simulated either by kinematic simulation (KS) or direct numerical simulation. The clouds also diffuse relative to their centroids; the statistics for this are obtained from a separate calculation of the growth of individual clouds in small scale turbulence, generated by KS. The ensemble of discrete clouds is periodically re-discretized, to limit the size of the small clouds and prevent overlapping. The model is illustrated with simulations of dispersion in uniform flow, and the results are compared with analytic, steady state solutions. The aim of this study is to understand how pollutants disperses in a turbulent flow through a numerical simulation of fluid particle motion in a random flow field generated by Fourier modes. Although this homogeneous turbulent is rather a 'simple' flow, it represents a building block toward understanding pollutant dispersion in more complex flow. The results presented here are preliminary in nature, but we expect that similar qualitative results should be observed in a genuine turbulent flow.

Magnon dispersion in thin magnetic films

International Nuclear Information System (INIS)

Balashov, T; Wulfhekel, W; Buczek, P; Sandratskii, L; Ernst, A

2014-01-01

Although the dispersion of magnons has been measured in many bulk materials, few studies deal with the changes in the dispersion when the material is in the form of a thin film, a system that is of interest for applications. Here we review inelastic tunneling spectroscopy studies of magnon dispersion in Mn/Cu 3 Au(1 0 0) and present new studies on Co and Ni thin films on Cu(1 0 0). The dispersion in Mn and Co films closely follows the dispersion of bulk samples with negligible dependence on thickness. The lifetime of magnons depends slightly on film thickness, and decreases considerably as the magnon energy increases. In Ni/Cu(1 0 0) films the thickness dependence of dispersion is much more pronounced. The measurements indicate a considerable mode softening for thinner films. Magnon lifetimes decrease dramatically near the edge of the Brillouin zone due to a close proximity of the Stoner continuum. The experimental study is supported by first-principles calculations. (paper)

Magnon dispersion in thin magnetic films.

Science.gov (United States)

Balashov, T; Buczek, P; Sandratskii, L; Ernst, A; Wulfhekel, W

2014-10-01

Although the dispersion of magnons has been measured in many bulk materials, few studies deal with the changes in the dispersion when the material is in the form of a thin film, a system that is of interest for applications. Here we review inelastic tunneling spectroscopy studies of magnon dispersion in Mn/Cu3Au(1 0 0) and present new studies on Co and Ni thin films on Cu(1 0 0). The dispersion in Mn and Co films closely follows the dispersion of bulk samples with negligible dependence on thickness. The lifetime of magnons depends slightly on film thickness, and decreases considerably as the magnon energy increases. In Ni/Cu(1 0 0) films the thickness dependence of dispersion is much more pronounced. The measurements indicate a considerable mode softening for thinner films. Magnon lifetimes decrease dramatically near the edge of the Brillouin zone due to a close proximity of the Stoner continuum. The experimental study is supported by first-principles calculations.

Sandia Strehl Calculator Version 1.0

Energy Technology Data Exchange (ETDEWEB)

2017-12-05

The Sandia Strehl Calculator is designed to calculate the Gibson and Lanni point spread function (PSF), Strehl ratio, and ensquared energy, allowing non-design immersion, coverslip, and sample layers. It also uses Abbe number calculations to determine the refractive index at specific wavelengths when given the refractive index at a different wavelength and the dispersion. The primary application of Sandia Strehl Calculator is to determine the theoretical impacts of using an optical microscope beyond its normal design parameters. Examples of non-design microscope usage include: a) using coverslips of non-design material b) coverslips of different thicknesses c) imaging deep into an aqueous sample with an immersion objective d) imaging a sample at 37 degrees. All of these changes can affect the imaging quality, sometimes profoundly, but are at the same time non-design conditions employed not infrequently. Rather than having to experimentally determine whether the changes will result in unacceptable image quality, Sandia Strehl Calculator uses existing optical theory to determine the approximate effect of the change, saving the need to perform experiments.

A micromorphic model for monolayer hexagonal boron nitride with determined constitutive constants by phonon dispersions

International Nuclear Information System (INIS)

Zhang, Bin; Yang, Gang

2014-01-01

A two dimensional (2D) micromorphic model is developed for monolayer hexagonal boron nitride (h-BN). Theoretical expressions of phonon dispersions for 2D crystals are derived based on the simplified governing equations of specialized three dimensional micromorphic crystals. The constitutive constants of governing equations of the h-BN micromorphic model are determined, which is performed by fitting the available phonon dispersions data of experimental measurements and first-principles calculations with our theoretical expressions. The obtained Young’s modulus and Poisson’s ratio of h-BN are comparable with the results of ab initio calculations and inelastic x-ray scattering experiments, thus the constitutive relations of the h-BN model are verified, which also indicates that mechanical properties of monolayer h-BN could be characterized by our 2D micromorphic model

Performance calculations on the ANFO explosive RX-HD

Energy Technology Data Exchange (ETDEWEB)

Souers, P.C.; Larson, D.B.; Tarver, C.M.

1994-12-31

This report presents the calculation methods utilized in asessing the detonation performance of the ammonium nitrate-fuel oil (ANFO) utilized in the non-proliferation experiment (NPE) underground explosion at te Nevada Test Site. The composition of the ANFO is discussed.

Substitution Structures of Large Molecules and Medium Range Correlations in Quantum Chemistry Calculations

Science.gov (United States)

Evangelisti, Luca; Pate, Brooks

2017-06-01

A study of the minimally exciting topic of agreement between experimental and measured rotational constants of molecules was performed on a set of large molecules with 16-18 heavy atoms (carbon and oxygen). The molecules are: nootkatone (C_{15}H_{22}O), cedrol (C_{15}H_{26}O), ambroxide (C_{16}H_{28}O), sclareolide (C_{16}H_{22}O_{2}), and dihydroartemisinic acid (C_{15}H_{24}O_{2}). For this set of molecules we obtained 13C-subsitution structures for six molecules (this includes two conformers of nootkatone). A comparison of theoretical structures and experimental substitution structures was performed in the spirit of the recent work of Grimme and Steinmetz.[1] Our analysis focused the center-of-mass distance of the carbon atoms in the molecules. Four different computational methods were studied: standard DFT (B3LYP), dispersion corrected DFT (B3LYP-D3BJ), hybrid DFT with dispersion correction (B2PLYP-D3), and MP2. A significant difference in these theories is how they handle medium range correlation of electrons that produce dispersion forces. For larger molecules, these dispersion forces produce an overall contraction of the molecule around the center-of-mass. DFT poorly treats this effect and produces structures that are too expanded. MP2 calculations overestimate the correction and produce structures that are too compact. Both dispersion corrected DFT methods produce structures in excellent agreement with experiment. The analysis shows that the difference in computational methods can be described by a linear error in the center-of-mass distance. This makes it possible to correct poorer performing calculations with a single scale factor. We also reexamine the issue of the "Costain error" in substitution structures and show that it is significantly larger in these systems than in the smaller molecules used by Costain to establish the error limits. [1] Stefan Grimme and Marc Steinmetz, "Effects of London dispersion correction in density functional theory on

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

International Nuclear Information System (INIS)

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

1987-01-01

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

Analysis of site-specific dispersion conditions

International Nuclear Information System (INIS)

Paesler-Sauer, J.

1989-03-01

This report presents an analysis of atmospheric dispersion conditions in the environs of nuclear power stations in the Federal Republic of Germany. The analysis is based on meteorological data measured on the power station sites (KFUe = nuclear reactor remote control records) and by neighbouring stations operated by the German Weather Service. The data are series of hourly mean values of wind and temperature gradient or stability class over the period of one or more years. The aim of the data analysis is to find types of dispersion conditions characterized by the flow field and stratification, and to assess the feasibility of calculating these quantities in the case of an emergency. Influences of terrain structures in the environs of the site are considered. The annual frequencies of types of dispersion situations are assessed, the capability to recognize the dispersion situation from meteorological data measured on the site and the applicability of dispersion models are discussed. (orig.) [de

Qualification process of dispersion fuels in the IEAR1 research reactor

International Nuclear Information System (INIS)

Domingos, D.B.; Silva, A.T.; Silva, J.E.R.

2010-01-01

Neutronic, thermal-hydraulics and accident analysis calculations were developed to estimate the safety of a miniplate irradiation device (MID) to be placed in the IEA-R1 reactor core. The irradiation device will be used to receive miniplates of U 3 O 8 -Al and U 3 Si 2 -Al dispersion fuels, LEU type (19,9% of 235 U) with uranium densities of, respectively, 3.0 gU/cm 3 and 4.8 gU/cm 3 . The fuel miniplates will be irradiated to nominal 235 U burnup levels of 50% and 80%, in order to qualify the above high-density dispersion fuels to be used in the Brazilian Multipurpose Reactor (RMB), now in the conception phase. For the neutronic calculation, the computer codes CITATION and TWODB were utilized. The computer code FLOW was used to calculate the coolant flow rate in the irradiation device, allowing the determination of the fuel miniplate temperatures with the computer model MTRCR-IEA-R1. A postulated Loss of Coolant Accident (LOCA) was analyzed with the computer code LOSS and TEMPLOCA, allowing the calculation of the fuel miniplate temperatures after the reactor pool draining. This paper also presents a system designed for fuel swelling evaluation. The determination of the fuel swelling will be performed by means of the fuel miniplate thickness measurements along the irradiation time. (author)

High resolution electromagnetic methods and low frequency dispersion of rock conductivity

OpenAIRE

Svetov, B. S.; Ageev, V. V.

1999-01-01

The influence of frequency dispersion of conductivity (induced polarization) of rocks on the results of electromagnetic (EM) sounding was studied on the basis of calculation of electric field of vertical magnetic dipole above horizontally layered polarizable sections. Frequency dispersion was approximated by the Debye formula. Polarizable homogeneous halfspace, two, three and multilayered sections were analyzed in frequency and time domains. The calculations for different values of chargeabil...

Progress in irradiation performance of experimental uranium - Molybdenum dispersion fuel

International Nuclear Information System (INIS)

Hofman, Gerard L.; Meyer, Mitchell K.

2002-01-01

High-density dispersion fuel experiment, RERTR-4, was removed from the Advanced Test Reactor (ATR) after reaching a peak U-235 burnup of ∼80% and is presently undergoing postirradiation examination at the ANL alpha-gamma hot cells. This test consists of 32 mini fuel plates of which 27 were fabricated with nominally 6 and 8 g cm -3 atomized and machined uranium alloy powders containing 7 wt% and 10 wt% molybdenum. In addition, two miniplates containing solid U-10 wt% Mo foils and three containing 6 g cm -3 U 3 Si 2 are part of the test. The results of the postirradiation examination and analysis of RERTR-4 in conjunction with data from previous tests performed to lower burnup will be presented. (author)

Structure and osmotic pressure of ionic microgel dispersions

Energy Technology Data Exchange (ETDEWEB)

Hedrick, Mary M. [Department of Physics, North Dakota State University, Fargo, North Dakota 58108-6050 (United States); Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108-6050 (United States); Chung, Jun Kyung; Denton, Alan R., E-mail: alan.denton@ndsu.edu [Department of Physics, North Dakota State University, Fargo, North Dakota 58108-6050 (United States)

2015-01-21

We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels—soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged spheres that are permeable to microions, we perform simulations and theoretical calculations using two complementary implementations of Poisson-Boltzmann (PB) theory. Within a one-component model, based on a linear-screening approximation for effective electrostatic pair interactions, we perform molecular dynamics simulations to compute macroion-macroion radial distribution functions, static structure factors, and macroion contributions to the osmotic pressure. For the same model, using a variational approximation for the free energy, we compute both macroion and microion contributions to the osmotic pressure. Within a spherical cell model, which neglects macroion correlations, we solve the nonlinear PB equation to compute microion distributions and osmotic pressures. By comparing the one-component and cell model implementations of PB theory, we demonstrate that the linear-screening approximation is valid for moderately charged microgels. By further comparing cell model predictions with simulation data for osmotic pressure, we chart the cell model’s limits in predicting osmotic pressures of salty dispersions.

Structure and osmotic pressure of ionic microgel dispersions

International Nuclear Information System (INIS)

Hedrick, Mary M.; Chung, Jun Kyung; Denton, Alan R.

2015-01-01

We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels—soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged spheres that are permeable to microions, we perform simulations and theoretical calculations using two complementary implementations of Poisson-Boltzmann (PB) theory. Within a one-component model, based on a linear-screening approximation for effective electrostatic pair interactions, we perform molecular dynamics simulations to compute macroion-macroion radial distribution functions, static structure factors, and macroion contributions to the osmotic pressure. For the same model, using a variational approximation for the free energy, we compute both macroion and microion contributions to the osmotic pressure. Within a spherical cell model, which neglects macroion correlations, we solve the nonlinear PB equation to compute microion distributions and osmotic pressures. By comparing the one-component and cell model implementations of PB theory, we demonstrate that the linear-screening approximation is valid for moderately charged microgels. By further comparing cell model predictions with simulation data for osmotic pressure, we chart the cell model’s limits in predicting osmotic pressures of salty dispersions

Extension and validation of ARTM (atmospheric radionuclide transportation model) for the application as dispersion calculation model in AVV (general administrative provision) and SBG (incident calculation bases); Erweiterung und Validierung von ARTM fuer den Einsatz als Ausbreitungsmodell in AVV und SBG

Energy Technology Data Exchange (ETDEWEB)

Martens, Reinhard; Bruecher, Wenzel; Richter, Cornelia; Sentuc, Florence; Sogalla, Martin; Thielen, Harald

2012-02-15

In the medium-term time scale the Gaussian plume model used so far for atmospheric dispersion calculations in the General Administrative Provision (AVV) relating to Section 47 of the Radiation Protection Ordinance (StrISchV) as well as in the Incident Calculation Bases (SGB) relating to Section 49 StrISchV is to be replaced by a Lagrangian particle model. Meanwhile the Atmospheric Radionuclide Transportation Model (ARTM) is available, which allows the simulation of the atmospheric dispersion of operational releases from nuclear installations. ARTM is based on the program package AUSTAL2000 which is designed for the simulation of atmospheric dispersion of nonradioactive operational releases from industrial plants and was adapted to the application of airborne radioactive releases. In the context of the research project 3608S05005 possibilities for an upgrade of ARTM were investigated and implemented as far as possible to the program system. The work program comprises the validation and evaluation of ARTM, the implementation of technical-scientific extensions of the model system and the continuation of experience exchange between developers and users. In particular, the suitability of the model approach for simulations of radiological consequences according to the German SBG and the representation of the influence of buildings typical for nuclear power stations have been validated and further evaluated. Moreover, post-processing modules for calculation of dose-relevant decay products and for dose calculations have been developed and implemented. In order to continue the experience feedback and exchange, a web page has been established and maintained. Questions by users and other feedback have been dealt with and a common workshop has been held. The continued development and validation of ARTM has strengthened the basis for applications of this model system in line with the German regulations AVV and SBG. Further activity in this field can contribute to maintain and

Extragalactic dispersion measures of fast radio bursts

International Nuclear Information System (INIS)

Xu, Jun; Han, J. L.

2015-01-01

Fast radio bursts show large dispersion measures, much larger than the Galactic dispersion measure foreground. Therefore, they evidently have an extragalactic origin. We investigate possible contributions to the dispersion measure from host galaxies. We simulate the spatial distribution of fast radio bursts and calculate the dispersion measures along the sightlines from fast radio bursts to the edge of host galaxies by using the scaled NE2001 model for thermal electron density distributions. We find that contributions to the dispersion measure of fast radio bursts from the host galaxy follow a skew Gaussian distribution. The peak and the width at half maximum of the dispersion measure distribution increase with the inclination angle of a spiral galaxy, to large values when the inclination angle is over 70°. The largest dispersion measure produced by an edge-on spiral galaxy can reach a few thousand pc cm −3 , while the dispersion measures from dwarf galaxies and elliptical galaxies have a maximum of only a few tens of pc cm −3 . Notice, however, that additional dispersion measures of tens to hundreds of pc cm −3 can be produced by high density clumps in host galaxies. Simulations that include dispersion measure contributions from the Large Magellanic Cloud and the Andromeda Galaxy are shown as examples to demonstrate how to extract the dispersion measure from the intergalactic medium. (paper)

Dispersive analysis of the pion transition form factor

Energy Technology Data Exchange (ETDEWEB)

Hoferichter, M. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, ExtreMe Matter Institute EMMI, Darmstadt (Germany); University of Bern, Albert Einstein Center for Fundamental Physics, Institute for Theoretical Physics, Bern (Switzerland); Kubis, B.; Niecknig, F.; Schneider, S.P. [Universitaet Bonn, Helmholtz-Institut fuer Strahlen- und Kernphysik (Theorie) and Bethe Center for Theoretical Physics, Bonn (Germany); Leupold, S. [Uppsala Universitet, Institutionen foer fysik och astronomi, Box 516, Uppsala (Sweden)

2014-11-15

We analyze the pion transition form factor using dispersion theory. We calculate the singly-virtual form factor in the time-like region based on data for the e{sup +}e{sup -} → 3π cross section, generalizing previous studies on ω, φ → 3π decays and γπ → ππ scattering, and verify our result by comparing to e{sup +}e{sup -} → π{sup 0}γ data. We perform the analytic continuation to the space-like region, predicting the poorlyconstrained space-like transition form factor below 1 GeV, and extract the slope of the form factor at vanishing momentum transfer a{sub π} = (30.7 ± 0.6) x 10{sup -3}. We derive the dispersive formalism necessary for the extension of these results to the doubly-virtual case, as required for the pion-pole contribution to hadronic light-by-light scattering in the anomalous magnetic moment of the muon. (orig.)

Polarization waves in dielectric films with spatial dispersion

International Nuclear Information System (INIS)

Jardin, Jean-Pierre; Moch, Philippe; Dvorak, Vladimir

2002-01-01

The polarization waves propagating in a slab-shaped or in a semi-infinite dielectric medium with spatial dispersion characterized by a volume free-energy density and by a boundary-surface energy density are studied, taking into account Maxwell's equations, in the framework of the Landau-Ginzburg formalism. It is shown that two independent extrapolation lengths providing for the required additional boundary conditions need to be specified at each surface limiting the medium. Complete calculations are performed in the electrostatic approximation: they provide evidence of the differences between the transverse in-plane polarized modes (s modes) and the sagittal plane polarized modes (p modes). True surface modes exist only in the case of negative extrapolation lengths. A detailed analysis of the symmetry properties of the surface and of the guided bulk modes in a slab is developed. Finally, our results are compared with those from previous models describing the boundary conditions in media where spatial dispersion is present. (author)

High resolution electromagnetic methods and low frequency dispersion of rock conductivity

Directory of Open Access Journals (Sweden)

V. V. Ageev

1999-06-01

Full Text Available The influence of frequency dispersion of conductivity (induced polarization of rocks on the results of electromagnetic (EM sounding was studied on the basis of calculation of electric field of vertical magnetic dipole above horizontally layered polarizable sections. Frequency dispersion was approximated by the Debye formula. Polarizable homogeneous halfspace, two, three and multilayered sections were analyzed in frequency and time domains. The calculations for different values of chargeability and time constants of polarization were performed. In the far zone of a source, the IP of rocks led to quasi-wave phenomena. They produced rapid fluctuations of frequency and transient sounding curves (interference phenomena, multireflections in polarizable layers. In the case of transient sounding in the near zone of a source quasistatic distortions prevailed, caused by the counter electromotive force arising in polarizable layers which may lead to strong changes in transient curves. In some cases quasiwave and quasistatic phenomena made EM sounding curves non-interpretable in the class of quasistationary curves over non-dispersive sections. On the other hand, they could increase the resolution and depth of investigation of EM sounding. This was confirmed by an experience of "high-resolution" electroprospecting in Russia. The problem of interpretation of EM sounding data in polarizable sections is nonunique. To achieve uniqueness it is probably necessary to complement them by soundings of other type.

High resolution electromagnetic methods and low frequency dispersion of rock conductivity

International Nuclear Information System (INIS)

Svetov, B.S.; Ageev, V.V.

1999-01-01

The influence of frequency dispersion of conductivity (induced polarization) of rocks on the results of electromagnetic (EM) sounding was studied on the basis of calculation of electric field of vertical magnetic dipole above horizontally layered polarizable sections. Frequency dispersion was approximated by the Debye formula. Polarizable homogeneous half space, two, three and multilayered section were analyzed in frequency and tim domains. The calculations for different values of charge ability and time constants of polarization were performed. In the far zone of a source, the IP of rocks led to quasi-wave phenomena. They produced rapid fluctuations of frequency and transient sounding curves (interference phenomena, multireflections in polarizable layers). In the case of transient sounding in the near zone of a source quasistatic distortions prevailed, caused by the counter electromotive force arising in polarizable layers which may lead to strong change in transient curves. In same case in quasiwave and quasistatic phenomena made EM sounding curves non-interpretable in the class of quasistationary curves over non-dispersive sections. On the other hand, they could increase the resolution and depth of investigation of EM sounding. This was confirmed by an experience of 'high-resolution' electroprospectring in Russia. The problem of interpretation of EM sounding data in polarizable sections is non unique. To achieve uniqueness it is probably to complement them by sounding of other type

High resolution electromagnetic methods and low frequency dispersion of rock conductivity

Energy Technology Data Exchange (ETDEWEB)

Svetov, B.S.; Ageev, V.V. [Geoelectromagnetic Research Institute, Institute of Physics of the Earth, RAS, Moscow (Russian Federation)

1999-08-01

The influence of frequency dispersion of conductivity (induced polarization) of rocks on the results of electromagnetic (EM) sounding was studied on the basis of calculation of electric field of vertical magnetic dipole above horizontally layered polarizable sections. Frequency dispersion was approximated by the Debye formula. Polarizable homogeneous half space, two, three and multilayered section were analyzed in frequency and tim domains. The calculations for different values of charge ability and time constants of polarization were performed. In the far zone of a source, the IP of rocks led to quasi-wave phenomena. They produced rapid fluctuations of frequency and transient sounding curves (interference phenomena, multireflections in polarizable layers). In the case of transient sounding in the near zone of a source quasistatic distortions prevailed, caused by the counter electromotive force arising in polarizable layers which may lead to strong change in transient curves. In same case in quasi wave and quasistatic phenomena made Em sounding curves non-interpretable in the class of quasistationary curves over non-dispersive sections. On the other hand, they could increase the resolution and depth of investigation of Em sounding. This was confirmed by an experience of 'high-resolution' electroprospectring in Russia. The problem of interpretation of EM sounding data in polarizable sections is non unique. To achieve uniqueness it is probably to complement them by sounding of other type.

The Activities and radioactive dispersion consequences for urban and rural area

International Nuclear Information System (INIS)

Pande Made Udiyani; Sri Kuntjoro; Jupiter Sitorus Pane

2015-01-01

The consequences of radioactive releases of contaminants by humans is influenced by many factors such as the amount of activity that spread contaminants and environmental conditions. Environmental conditions include meteorological conditions, the contours of the site and contaminant pathways to humans. The purpose of this research is the analysis of the consequences of radionuclide activity and long half-life time due to accidents in urban and rural areas. The specific objective is to calculate the activity of the air dispersion and surface deposition, dose rate predictions and the risks posed to urban and rural areas as a function of the location. The estimates method used is simulation of the consequences on fission products dispersion in the atmosphere due to the postulated accident Beyond Design Basis Accident, BDBA. The calculation is performed for radioactive releases from accidents in 1000 MWe PWR simulated for rural and urban areas on Bojanegara-Serang site. Results of the analysis are that the activity of air dispersion and deposition surface at rural areas higher than urban areas. The Acceptance dose is higher for rural areas compared with urban areas. The maximum effective individual dose for rural areas is 9.24 x 10"-"2 Sv and urban areas is 5.14 x 10"-"2 Sv. The total risk of cancer for people who live in urban areas is higher than rural areas. (author)

Layered van der Waals crystals with hyperbolic light dispersion

DEFF Research Database (Denmark)

Gjerding, Morten Niklas; Petersen, R.; Pedersen, T.G.

2017-01-01

Compared to artificially structured hyperbolic metamaterials, whose performance is limited by the finite size of the metallic components, the sparse number of naturally hyperbolic materials recently discovered are promising candidates for the next generation of hyperbolic materials. Using first......-principles calculations, we extend the number of known naturally hyperbolic materials to the broad class of layered transition metal dichalcogenides (TMDs). The diverse electronic properties of the transition metal dichalcogenides result in a large variation of the hyperbolic frequency regimes ranging from the near...... materials with hyperbolic dispersion among the family of layered transition metal dichalcogenides....

Optimized nonlinear inversion of surface-wave dispersion data

International Nuclear Information System (INIS)

Raykova, Reneta B.

2014-01-01

A new code for inversion of surface wave dispersion data is developed to obtain Earth’s crustal and upper mantle velocity structure. The author developed Optimized Non–Linear Inversion ( ONLI ) software, based on Monte-Carlo search. The values of S–wave velocity VS and thickness h for a number of horizontal homogeneous layers are parameterized. Velocity of P–wave VP and density ρ of relevant layers are calculated by empirical or theoretical relations. ONLI explores parameters space in two modes, selective and full search, and the main innovation of software is evaluation of tested models. Theoretical dispersion curves are calculated if tested model satisfied specific conditions only, reducing considerably the computation time. A number of tests explored impact of parameterization and proved the ability of ONLI approach to deal successfully with non–uniqueness of inversion problem. Key words: Earth’s structure, surface–wave dispersion, non–linear inversion, software

ATMOSPHERIC DISPERSION COEFFICIENTS & RADIOLOGICAL & TOXICOLOGICAL EXPOSURE METHODOLOGY FOR USE IN TANK FARMS

Energy Technology Data Exchange (ETDEWEB)

COWLEY, W.L.

2005-01-31

This report presents the atmospheric dispersion coefficients used for Tank Farms safety analyses. The report also contains the necessary documentation for meeting Software QA requirements for the GXQ software. The basic equations for calculating radiological doses and chemical exposures are also included. Revision 3 adds information about Building Wakes and calculates dispersion coefficients that incorporate building wake for 222-S and 242-A.

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

Science.gov (United States)

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.

2012-10-01

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.

Mixing time effects on the dispersion performance of adhesive mixtures for inhalation.

Directory of Open Access Journals (Sweden)

Floris Grasmeijer

Full Text Available This paper deals with the effects of mixing time on the homogeneity and dispersion performance of adhesive mixtures for inhalation. Interactions between these effects and the carrier size fraction, the type of drug and the inhalation flow rate were studied. Furthermore, it was examined whether or not changes in the dispersion performance as a result of prolonged mixing can be explained with a balance of three processes that occur during mixing, knowing drug redistribution over the lactose carrier; (de- agglomeration of the drug (and fine lactose particles; and compression of the drug particles onto the carrier surface. For this purpose, mixtures containing salmeterol xinafoate or fluticasone propionate were mixed for different periods of time with a fine or coarse crystalline lactose carrier in a Turbula mixer. Drug detachment experiments were performed using a classifier based inhaler at different flow rates. Scanning electron microscopy and laser diffraction techniques were used to measure drug distribution and agglomeration, whereas changes in the apparent solubility were measured as a means to monitor the degree of mechanical stress imparted on the drug particles. No clear trend between mixing time and content uniformity was observed. Quantitative and qualitative interactions between the effect of mixing time on drug detachment and the type of drug, the carrier size fraction and the flow rate were measured, which could be explained with the three processes mentioned. Generally, prolonged mixing caused drug detachment to decrease, with the strongest decline occurring in the first 120 minutes of mixing. For the most cohesive drug (salmeterol and the coarse carrier, agglomerate formation seemed to dominate the overall effect of mixing time at a low inhalation flow rate, causing drug detachment to increase with prolonged mixing. The optimal mixing time will thus depend on the formulation purpose and the choice for other, interacting variables.

Mixing Time Effects on the Dispersion Performance of Adhesive Mixtures for Inhalation

Science.gov (United States)

Grasmeijer, Floris; Hagedoorn, Paul; Frijlink, Henderik W.; de Boer, H. Anne

2013-01-01

This paper deals with the effects of mixing time on the homogeneity and dispersion performance of adhesive mixtures for inhalation. Interactions between these effects and the carrier size fraction, the type of drug and the inhalation flow rate were studied. Furthermore, it was examined whether or not changes in the dispersion performance as a result of prolonged mixing can be explained with a balance of three processes that occur during mixing, knowing drug redistribution over the lactose carrier; (de-) agglomeration of the drug (and fine lactose) particles; and compression of the drug particles onto the carrier surface. For this purpose, mixtures containing salmeterol xinafoate or fluticasone propionate were mixed for different periods of time with a fine or coarse crystalline lactose carrier in a Turbula mixer. Drug detachment experiments were performed using a classifier based inhaler at different flow rates. Scanning electron microscopy and laser diffraction techniques were used to measure drug distribution and agglomeration, whereas changes in the apparent solubility were measured as a means to monitor the degree of mechanical stress imparted on the drug particles. No clear trend between mixing time and content uniformity was observed. Quantitative and qualitative interactions between the effect of mixing time on drug detachment and the type of drug, the carrier size fraction and the flow rate were measured, which could be explained with the three processes mentioned. Generally, prolonged mixing caused drug detachment to decrease, with the strongest decline occurring in the first 120 minutes of mixing. For the most cohesive drug (salmeterol) and the coarse carrier, agglomerate formation seemed to dominate the overall effect of mixing time at a low inhalation flow rate, causing drug detachment to increase with prolonged mixing. The optimal mixing time will thus depend on the formulation purpose and the choice for other, interacting variables. PMID:23844256

Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study

Science.gov (United States)

Kosar, Naveen; Mahmood, Tariq; Ayub, Khurshid

2017-12-01

Benchmark study has been carried out to find a cost effective and accurate method for bond dissociation energy (BDE) of carbon halogen (Csbnd X) bond. BDE of C-X bond plays a vital role in chemical reactions, particularly for kinetic barrier and thermochemistry etc. The compounds (1-16, Fig. 1) with Csbnd X bond used for current benchmark study are important reactants in organic, inorganic and bioorganic chemistry. Experimental data of Csbnd X bond dissociation energy is compared with theoretical results. The statistical analysis tools such as root mean square deviation (RMSD), standard deviation (SD), Pearson's correlation (R) and mean absolute error (MAE) are used for comparison. Overall, thirty-one density functionals from eight different classes of density functional theory (DFT) along with Pople and Dunning basis sets are evaluated. Among different classes of DFT, the dispersion corrected range separated hybrid GGA class along with 6-31G(d), 6-311G(d), aug-cc-pVDZ and aug-cc-pVTZ basis sets performed best for bond dissociation energy calculation of C-X bond. ωB97XD show the best performance with less deviations (RMSD, SD), mean absolute error (MAE) and a significant Pearson's correlation (R) when compared to experimental data. ωB97XD along with Pople basis set 6-311g(d) has RMSD, SD, R and MAE of 3.14 kcal mol-1, 3.05 kcal mol-1, 0.97 and -1.07 kcal mol-1, respectively.

On Dispersion in Visual Photoreceptors

NARCIS (Netherlands)

Stavenga, D.G.; Barneveld, H.H. van

1975-01-01

An idealized visual pigment absorbance spectrum is used together with a Kramers-Kronig dispersion relation to calculate the contribution of the visual pigment to the refractive index of the fly photoreceptor. It appears that an absorption coefficient of 0.010 µm-1 results in a refractive index

Optimal Height Calculation and Modelling of Noise Barrier

Directory of Open Access Journals (Sweden)

Raimondas Grubliauskas

2011-04-01

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

Modelling airborne dispersion for disaster management

Science.gov (United States)

Musliman, I. A.; Yohnny, L.

2017-05-01

Industrial disasters, like any other disasters, can happen anytime, anywhere and in any form. Airborne industrial disaster is a kind of catastrophic event involving the release of particles such as chemicals and industrial wastes into environment in gaseous form, for instance gas leakages. Unlike solid and liquid materials, gases are often colourless and odourless, the particles are too tiny to be visible to the naked eyes; hence it is difficult to identify the presence of the gases and to tell the dispersion and location of the substance. This study is to develop an application prototype to perform simulation modelling on the gas particles to determine the dispersion of the gas particles and to identify the coverage of the affected area. The prototype adopted Lagrangian Particle Dispersion (LPD) model to calculate the position of the gas particles under the influence of wind and turbulent velocity components, which are the induced wind due to the rotation of the Earth, and Convex Hull algorithm to identify the convex points of the gas cloud to form the polygon of the coverage area. The application performs intersection and overlay analysis over a set of landuse data at Pasir Gudang, Johor industrial and residential area. Results from the analysis would be useful to tell the percentage and extent of the affected area, and are useful for the disaster management to evacuate people from the affected area. The developed application can significantly increase efficiency of emergency handling during a crisis. For example, by using a simulation model, the emergency handling can predict what is going to happen next, so people can be well informed and preparations works can be done earlier and better. Subsequently, this application helps a lot in the decision making process.

Modelling airborne dispersion for disaster management

International Nuclear Information System (INIS)

Musliman, I A; Yohnny, L

2017-01-01

Industrial disasters, like any other disasters, can happen anytime, anywhere and in any form. Airborne industrial disaster is a kind of catastrophic event involving the release of particles such as chemicals and industrial wastes into environment in gaseous form, for instance gas leakages. Unlike solid and liquid materials, gases are often colourless and odourless, the particles are too tiny to be visible to the naked eyes; hence it is difficult to identify the presence of the gases and to tell the dispersion and location of the substance. This study is to develop an application prototype to perform simulation modelling on the gas particles to determine the dispersion of the gas particles and to identify the coverage of the affected area. The prototype adopted Lagrangian Particle Dispersion (LPD) model to calculate the position of the gas particles under the influence of wind and turbulent velocity components, which are the induced wind due to the rotation of the Earth, and Convex Hull algorithm to identify the convex points of the gas cloud to form the polygon of the coverage area. The application performs intersection and overlay analysis over a set of landuse data at Pasir Gudang, Johor industrial and residential area. Results from the analysis would be useful to tell the percentage and extent of the affected area, and are useful for the disaster management to evacuate people from the affected area. The developed application can significantly increase efficiency of emergency handling during a crisis. For example, by using a simulation model, the emergency handling can predict what is going to happen next, so people can be well informed and preparations works can be done earlier and better. Subsequently, this application helps a lot in the decision making process. (paper)

First principles electronic band structure and phonon dispersion curves for zinc blend beryllium chalcogenide

Energy Technology Data Exchange (ETDEWEB)

Dabhi, Shweta, E-mail: venu.mankad@gmail.com; Mankad, Venu, E-mail: venu.mankad@gmail.com; Jha, Prafulla K., E-mail: venu.mankad@gmail.com [Department of Physics, Maharaja Krishnakumasinhji Bhavnagar University, Bhavnagar-364001 (India)

2014-04-24

A detailed theoretical study of structural, electronic and Vibrational properties of BeX compound is presented by performing ab-initio calculations based on density-functional theory using the Espresso package. The calculated value of lattice constant and bulk modulus are compared with the available experimental and other theoretical data and agree reasonably well. BeX (X = S,Se,Te) compounds in the ZB phase are indirect wide band gap semiconductors with an ionic contribution. The phonon dispersion curves are represented which shows that these compounds are dynamically stable in ZB phase.

An investigation on the irradiation behavior of atomized U-Mo/Al dispersion rod fuels

International Nuclear Information System (INIS)

Park, J.M.; Ryu, H.J.; Lee, Y.S.; Lee, D.B.; Oh, S.J.; Yoo, B.O.; Jung, Y.H.; Sohn, D.S.; Kim, C.K.

2005-01-01

The second irradiation fuel experiment, KOMO-2, for the qualification test of atomized U-Mo dispersion rod fuels with U-loadings of 4-4.5 gU/cc at KAERI was finished after an irradiation up to 70 at% U 235 peak burn-up and subjected to the IMEF (Irradiation material Examination Facility) for a post-irradiation analysis in order to understand the fuel irradiation performance of the U-Mo dispersion fuel. Current results for PIE of KOMO-2 revealed that the U-Mo/Al dispersion fuel rods exhibited a sound performance without any break-away swelling, but most of the fuel rods irradiated at a high linear power showed an extensive formation of the interaction phase between the U-Mo particle and the Al matrix. In this paper, the analysis of the PIE results, which focused on the diffusion related microstructures obtained from the optical and EPMA (Electron Probe Micro Analysis) observations, will be presented in detail. And a thermal modeling will be carried out to calculate the temperature of the fuel rod during an irradiation. (author)

Dispersion in thermal plasma including arbitrary degeneracy and quantum recoil

International Nuclear Information System (INIS)

Mushtaq, A.; Melrose, D.B.

2012-01-01

The longitudinal response function for a thermal electron gas was calculated including two quantum effects exactly, degeneracy and the quantum recoil. The Fermi-Dirac distribution was expanded in powers of a parameter that is small in the non-degenerate limit and the response function was evaluated in terms of the conventional plasma dispersion function to arbitrary order in this parameter. The infinite sum was performed in terms of poly logarithms in the long-wavelength and quasi-static limits, giving results that apply for arbitrary degeneracy. The results were applied to the dispersion relations for Langmuir waves and to screening, reproducing known results in the non-degenerate and completely degenerate limits], and generalizing them to arbitrary degeneracy. The occupation number for the completely degenerate limit is shown. The importance of the results regarding to semiconductor plasmas were highlighted. (orig./A.B.)

Uranium Dispersion and Dosimetry (UDAD) Code

International Nuclear Information System (INIS)

Momeni, M.H.; Yuan, Y.; Zielen, A.J.

1979-05-01

The Uranium Dispersion and Dosimetry (UDAD) Code provides estimates of potential radiation exposure to individuals and to the general population in the vicinity of a uranium processing facility. The UDAD Code incorporates the radiation dose from the airborne release of radioactive materials, and includes dosimetry of inhalation, ingestion, and external exposures. The removal of raioactive particles from a contaminated area by wind action is estimated, atmospheric concentrations of radioactivity from specific sources are calculated, and source depletion as a result of deposition, fallout, and ingrowth of radon daughters are included in a sector-averaged Gaussian plume dispersion model. The average air concentration at any given receptor location is assumed to be constant during each annual release period, but to increase from year to year because of resuspension. Surface contamination and deposition velocity are estimated. Calculation of the inhalation dose and dose rate to an individual is based on the ICRP Task Group Lung Model. Estimates of the dose to the bronchial epithelium of the lung from inhalation of radon and its short-lived daughters are calculated based on a dose conversion factor from the BEIR report. External radiation exposure includes radiation from airborne radionuclides and exposure to radiation from contaminated ground. Terrestrial food pathways include vegetation, meat, milk, poultry, and eggs. Internal dosimetry is based on ICRP recommendations. In addition, individual dose commitments, population dose commitments, and environmental dose commitments are computed. This code also may be applied to dispersion of any other pollutant

Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies

Energy Technology Data Exchange (ETDEWEB)

Horn, Paul R., E-mail: prhorn@berkeley.edu; Mao, Yuezhi; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division Lawrence Berkeley National Laboratory Berkeley, California 94720 (United States)

2016-03-21

In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms for test cases that include the neon dimer, ammonia borane, water-Na{sup +}, water-Cl{sup −}, and the naphthalene dimer.

Randomly dispersed particle fuel model in the PSG Monte Carlo neutron transport code

International Nuclear Information System (INIS)

Leppaenen, J.

2007-01-01

High-temperature gas-cooled reactor fuels are composed of thousands of microscopic fuel particles, randomly dispersed in a graphite matrix. The modelling of such geometry is complicated, especially using continuous-energy Monte Carlo codes, which are unable to apply any deterministic corrections in the calculation. This paper presents the geometry routine developed for modelling randomly dispersed particle fuels using the PSG Monte Carlo reactor physics code. The model is based on the delta-tracking method, and it takes into account the spatial self-shielding effects and the random dispersion of the fuel particles. The calculation routine is validated by comparing the results to reference MCNP4C calculations using uranium and plutonium based fuels. (authors)

On the methods for determining the transverse dispersion coefficient in river mixing

Science.gov (United States)

Baek, Kyong Oh; Seo, Il Won

2016-04-01

In this study, the strengths and weaknesses of existing methods for determining the dispersion coefficient in the two-dimensional river mixing model were assessed based on hydraulic and tracer data sets acquired from experiments conducted on either laboratory channels or natural rivers. From the results of this study, it can be concluded that, when the longitudinal dispersion coefficient as well as the transverse dispersion coefficients must be determined in the transient concentration situation, the two-dimensional routing procedures, 2D RP and 2D STRP, can be employed to calculate dispersion coefficients among the observation methods. For the steady concentration situation, the STRP can be applied to calculate the transverse dispersion coefficient. When the tracer data are not available, either theoretical or empirical equations by the estimation method can be used to calculate the dispersion coefficient using the geometric and hydraulic data sets. Application of the theoretical and empirical equations to the laboratory channel showed that equations by Baek and Seo [[3], 2011] predicted reasonable values while equations by Fischer [23] and Boxwall and Guymer (2003) overestimated by factors of ten to one hundred. Among existing empirical equations, those by Jeon et al. [28] and Baek and Seo [6] gave the agreeable values of the transverse dispersion coefficient for most cases of natural rivers. Further, the theoretical equation by Baek and Seo [5] has the potential to be broadly applied to both laboratory and natural channels.

Glass transition in soft-sphere dispersions

International Nuclear Information System (INIS)

RamIrez-Gonzalez, P E; Medina-Noyola, M

2009-01-01

The concept of dynamic equivalence among mono-disperse soft-sphere fluids is employed in the framework of the self-consistent generalized Langevin equation (SCGLE) theory of colloid dynamics to calculate the ideal glass transition phase diagram of model soft-sphere colloidal dispersions in the softness-concentration state space. The slow dynamics predicted by this theory near the glass transition is compared with available experimental data for the decay of the intermediate scattering function of colloidal dispersions of soft-microgel particles. Increasing deviations from this simple scheme occur for increasingly softer potentials, and this is studied here using the Rogers-Young static structure factor of the soft-sphere systems as the input of the SCGLE theory, without assuming a priori the validity of the equivalence principle above.

UV curable aqueous dispersions for wood coatings

International Nuclear Information System (INIS)

Peeters, S.; Bleus, J.P.; Wang, Z.J.; Arceneaux, J. A.; Hall, J.

1999-01-01

In this paper the characterisation of aqueous dispersions of UV curable resins is described. Two types of dispersions were used: dispersions that are tacky after water evaporation and tack - free before cure dispersions. The physical and rheological properties of these products have been determined and the performance of these dispersions in various formulations, especially for wood applications has been studied. With these dispersions, it is possible to produce coatings having a good cure speed, good surface hardness and good solvent -, chemical - and water resistance

Space shuttle launch vehicle performance trajectory, exchange ratios, and dispersion analysis

Science.gov (United States)

Toelle, R. G.; Blackwell, D. L.; Lott, L. N.

1973-01-01

A baseline space shuttle performance trajectory for Mission 3A launched from WTR has been generated. Design constraints of maximum dynamic pressure, longitudinal acceleration, and delivered payload were satisfied. Payload exchange ratios are presented with explanation on use. Design envelopes of dynamic pressure, SRB staging point, aerodynamic heating and flight performance reserves are calculated and included.

On the calculation of the structure of charge-stabilized colloidal dispersions using density-dependent potentials

International Nuclear Information System (INIS)

Castañeda-Priego, R; Lobaskin, V; Mixteco-Sánchez, J C; Rojas-Ochoa, L F; Linse, P

2012-01-01

The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa shape, the osmotic pressure constraint allows us to have a good description of the colloidal structure without losing information on the system thermodynamics. Our findings are corroborated by primitive model simulations of salt-free colloidal dispersions. (paper)

Simulation of the three-dimensional dispersion of radioactive gases through layers of ground in connection with underground design of nuclear power plants

International Nuclear Information System (INIS)

Dinkelacker, A.

1979-01-01

In connection with underground design of nuclear power plants there is studied the dispersion of radioactive gases released from the underground plant into the ground covering, following a hypothetical accident. For this purpose there was developed a model of dispersion describing the one-and two-component flow of ideal gases in an inhomogeneous porous medium. The description of the gas flow is based on Darcy's Law. The flow process is assumed to be isothermal. The model is completed by simulation of radioactive tracer particles for determining retention times. Based on the mathematical dispersion model the computer code FLOG3D was developed. It permits to calculate the unsteady distributions of pressure and concentration in an inhomogeneous porous medium in cartesian coordinates as well as the location of radioactive tracer particles. According to the choice of boundary conditions the calculation can be performed in up to three dimensions. For numerical solution of the model equations a special wide-mesh method was used. This method applies polymonial set-ups for the behavior of the solution in the individual meshes. For verification of the code FLOG3D there were performed comparative and test computations. One- and multidimensional calculating examples demonstrate the overall applicability for this code. (orig.) [de

Radioactive cloud dose calculations

International Nuclear Information System (INIS)

Healy, J.W.

1984-01-01

Radiological dosage principles, as well as methods for calculating external and internal dose rates, following dispersion and deposition of radioactive materials in the atmosphere are described. Emphasis has been placed on analytical solutions that are appropriate for hand calculations. In addition, the methods for calculating dose rates from ingestion are discussed. A brief description of several computer programs are included for information on radionuclides. There has been no attempt to be comprehensive, and only a sampling of programs has been selected to illustrate the variety available

Modelling of U-Mo/Al Dispersion fuel fission induced swelling and creep

Energy Technology Data Exchange (ETDEWEB)

Jeong, Gwan Yoon; Sohn, Dong Seong [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of); Kim, Yeon Soo [Argonne National Laboratory, Argonne (United States)

2014-05-15

In a Dispersion fuel which U-Mo particles are dispersed in Al metal matrix, a similar phenomenon forming a bulge region was observed but it is difficult to quantify and construct a model for explaining creep and swelling because of its complex microstructure change during irradiation including interaction layer (IL) and porosity formation. In a Dispersion fuel meat, fission product induces fuel particles swelling and it has to be accommodated by the deformation of the Al matrix and newly formed IL during irradiation. Then, it is reasonable that stress from fuel swelling in the complex structure should be relaxed by local adjustments of particles, Al matrix, and IL. For analysis of U-Mo/Al Dispersion fuel creep, the creep of U-Mo particle, Al matrix, and IL should be considered. Moreover, not only fuel particle swelling and IL growth, but also fuel and Al matrix consumptions due to IL formation are accounted in terms of their volume fraction changes during irradiation. In this work, fuel particles, Al matrix and IL are treated in a way of homogenized constituents: Fuel particles, Al matrix and IL consist of an equivalent meat during irradiation. Meat volume swelling of two representative plates was measured: One (Plate A) was a pure Al matrix with 6g/cc uranium loading, the other (Plate B) a silicon added Al matrix with 8g/cc uranium loading. The meat swelling of calculated as a function of burnup. The meat swelling of calculation and measurement was compared and the creep rate coefficients for Al and IL were estimated by repetitions. Based on assumption that only the continuous phase of Al-IL combined matrix accommodated the stress from fuel particle swelling and it was allowed to have creep deformation, the homogenization modeling was performed. The meat swelling of two U-Mo/Al Dispersion fuel plates was modeled by using homogenization model.

Modelling of U-Mo/Al Dispersion fuel fission induced swelling and creep

International Nuclear Information System (INIS)

Jeong, Gwan Yoon; Sohn, Dong Seong; Kim, Yeon Soo

2014-01-01

In a Dispersion fuel which U-Mo particles are dispersed in Al metal matrix, a similar phenomenon forming a bulge region was observed but it is difficult to quantify and construct a model for explaining creep and swelling because of its complex microstructure change during irradiation including interaction layer (IL) and porosity formation. In a Dispersion fuel meat, fission product induces fuel particles swelling and it has to be accommodated by the deformation of the Al matrix and newly formed IL during irradiation. Then, it is reasonable that stress from fuel swelling in the complex structure should be relaxed by local adjustments of particles, Al matrix, and IL. For analysis of U-Mo/Al Dispersion fuel creep, the creep of U-Mo particle, Al matrix, and IL should be considered. Moreover, not only fuel particle swelling and IL growth, but also fuel and Al matrix consumptions due to IL formation are accounted in terms of their volume fraction changes during irradiation. In this work, fuel particles, Al matrix and IL are treated in a way of homogenized constituents: Fuel particles, Al matrix and IL consist of an equivalent meat during irradiation. Meat volume swelling of two representative plates was measured: One (Plate A) was a pure Al matrix with 6g/cc uranium loading, the other (Plate B) a silicon added Al matrix with 8g/cc uranium loading. The meat swelling of calculated as a function of burnup. The meat swelling of calculation and measurement was compared and the creep rate coefficients for Al and IL were estimated by repetitions. Based on assumption that only the continuous phase of Al-IL combined matrix accommodated the stress from fuel particle swelling and it was allowed to have creep deformation, the homogenization modeling was performed. The meat swelling of two U-Mo/Al Dispersion fuel plates was modeled by using homogenization model

Thermophysical properties of dispersed metal materials

Energy Technology Data Exchange (ETDEWEB)

Lee, Sang Hyun; Kim, Jong Chul [KRISS, Taejeon (Korea)

2002-04-01

Thermal conductivities of the preliminarily fabricated U-Mo dispersion fuel meats have been measured to estimate the center temperature of the irradiation fuels. Thermal conductivities at temperatures ranging from room temperature to 500 .deg. C were calculated by measuring diffusivities, specific heat capacities and densities of dispersion fuel meats. The molybdenum content of fuel meats was varied to be 6wt%, 8wt%, and 10wt% and the volume fraction of U-Mo fuel powders were changed to be 10 vol%, 30vol%, 40 vol%, and 50 vol%. 13 refs., 39 figs., 13 tabs. (Author)

Antiwear performance of ionic liquid+graphene dispersions with anomalous viscosity-temperature behavior

OpenAIRE

Pamies Porras, Ramón Francisco; Arias Pardilla, Joaquín; Espinosa Rodríguez, Tulia; Carrión Vilches, Francisco José; Bermúdez Olivares, María Dolores; Sanes Molina, José; Avilés González, María Dolores

2018-01-01

New dispersions of few-layers graphene (G) in 1-ethyl-3-methylimidazolium ([EMIM]) ionic liquids (ILs) with dicyanamide ([DCA]) or bis(trifluoromethylsulfonyl)imide ([TFSI]) anions have been obtained by mechanical mixing and sonication. IL+0.5 wt% G dispersions show constant viscosity values from 357K (for IL = [EMIM][DCA]) or from 385K (for IL = [EMIM][TFSI]) to 393K. IL + G dispersions with G > 0.5 wt% show linear viscosity increases with increasing temperature, from 306K (for [EMIM][DCA]+1...

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)

Chemical dispersibility testing of fresh and weathered oils

International Nuclear Information System (INIS)

Brandvik, P.J.; Daling, P.S.; Aareskjold, K.

1991-05-01

This activity in the DIspersants on Weathered Oils-project (DIWO) is a continuation and an extended study of the dispersibility study described in DIWO report No. 3. The main objective has been to study the chemical dispersibility of fresh and weathered oils produced or transported in Norwegian waters. Other important aims of this study have been: To correlate the effectiveness results obtained by three different laboratory methods; to determine the relationship between the dispersant effectiveness and the change in the oils' physico-chemical properties due to weathering (topping, photo-oxidation and w/o-emulsification). This study has been performed with 8 different oil types and 12 different weathering degrees of each oil type. The work performed clearly demonstrates that the oil type and especially the weathering properties are essential for the performance of dispersants at sea. 41 figs., 5 tabs., 16 refs

Calculation of thermodynamic equilibrium between bcc disordered solid solutions U and Mo

International Nuclear Information System (INIS)

Alonso, Paula R.; Rubiolo, Gerardo H.

2003-01-01

There is actually an interest to develop a new fuel with higher density for research reactors. Fuel plates would be obtained by dispersion, a method that requires both a very dense fuel dispersant (>15.0 g U/cm 3 ) and a very high volume loading of the dispersant (>55%). Dispersants based in gamma (BCC) stabilized uranium alloys are being investigated, as they are able to reach uranium densities of 17.0 g U/cm 3 . Among them, we focus in U(Mo) bcc solid solutions with the addition of ternary elements to stabilize gamma phase. Transition metals, 4d and 5d, of groups VII and VIII are good candidates for the ternary alloy U - Mo - X. Their relative power to stabilize gamma phase seems to be in close relation with bonding energies between atoms in the alloy. A first approach to the calculation of these energies has been performed by the semi empiric method of Miedema where only bonds between pairs are considered, neglecting ternary and quaternary bonds. There is also a lack of information concerning solubilities of the ternary elements in the ternary cubic phase. In this work we aim to calculate bonding energies between atoms in the alloy using a cluster expansion of the formation energy (T=0 K) of a series of bcc ordered compounds in the systems U-Mo-X. Then the calculation of the equilibrium phase diagram by the Cluster Variation Method will be done (CVM). We show here the first part of the investigation devoted to calculation of phases equilibria in the U Mo system Formation energies of the ordered compounds were obtained by the first principles methods TB-LMTO-ASA and FP-LAPW. Another set of bonding energies was calculated in order to fit the known experimental diagram and new formation energies for the ordered compounds were derived from them. Discrepancies between both sets are discussed. (author)

The dispersion of radionuclides in the offshore of the ujung lemahabang

International Nuclear Information System (INIS)

Lubis, E.

1997-01-01

The dispersion of radionuclides X/Q in the offshore of Ujung Lemahabang has been conducted. The assessment of the X/Q was performed with the diffusion model in two dimension. the survey data from NEWJECT was take it into account for the calculation. the results indicated that the X/Q in the rainy and summer session insignificantly difference. With these value of X/Q, the radiological impact of Nuclear Power Plant through marine ecosystem into human being could be predicted (author)

Using Floquet periodicity to easily calculate dispersion curves and wave structures of homogeneous waveguides

Science.gov (United States)

Hakoda, Christopher; Rose, Joseph; Shokouhi, Parisa; Lissenden, Clifford

2018-04-01

Dispersion curves are essential to any guided-wave-related project. The Semi-Analytical Finite Element (SAFE) method has become the conventional way to compute dispersion curves for homogeneous waveguides. However, only recently has a general SAFE formulation for commercial and open-source software become available, meaning that until now SAFE analyses have been variable and more time consuming than desirable. Likewise, the Floquet boundary conditions enable analysis of waveguides with periodicity and have been an integral part of the development of metamaterials. In fact, we have found the use of Floquet boundary conditions to be an extremely powerful tool for homogeneous waveguides, too. The nuances of using periodic boundary conditions for homogeneous waveguides that do not exhibit periodicity are discussed. Comparisons between this method and SAFE are made for selected homogeneous waveguide applications. The COMSOL Multiphysics software is used for the results shown, but any standard finite element software that can implement Floquet periodicity (user-defined or built-in) should suffice. Finally, we identify a number of complex waveguides for which dispersion curves can be found with relative ease by using the periodicity inherent to the Floquet boundary conditions.

Dispersion Differences and Consistency of Artificial Periodic Structures.

Science.gov (United States)

Cheng, Zhi-Bao; Lin, Wen-Kai; Shi, Zhi-Fei

2017-10-01

Dispersion differences and consistency of artificial periodic structures, including phononic crystals, elastic metamaterials, as well as periodic structures composited of phononic crystals and elastic metamaterials, are investigated in this paper. By developing a K(ω) method, complex dispersion relations and group/phase velocity curves of both the single-mechanism periodic structures and the mixing-mechanism periodic structures are calculated at first, from which dispersion differences of artificial periodic structures are discussed. Then, based on a unified formulation, dispersion consistency of artificial periodic structures is investigated. Through a comprehensive comparison study, the correctness for the unified formulation is verified. Mathematical derivations of the unified formulation for different artificial periodic structures are presented. Furthermore, physical meanings of the unified formulation are discussed in the energy-state space.

Noise Studies of Externally Dispersed Interferometry for Doppler Velocimetry

International Nuclear Information System (INIS)

Erskine, D J; Edelstein, J; Lloyd, J; Muirhead, P

2006-01-01

Externally Dispersed Interferometry (EDI) is the series combination of a fixed-delay field-widened Michelson interferometer with a dispersive spectrograph. This combination boosts the spectrograph performance for both Doppler velocimetry and high resolution spectroscopy. The interferometer creates a periodic comb that multiplies against the input spectrum to create moire fringes, which are recorded in combination with the regular spectrum. Both regular and high-frequency spectral components can be recovered from the data--the moire component carries additional information that increases the signal to noise for velocimetry and spectroscopy. Here we present simulations and theoretical studies of the photon limited Doppler velocity noise in an EDI. We used a model spectrum of a 1600K temperature star. For several rotational blurring velocities 0, 7.5, 15 and 25 km/s we calculated the dimensionless Doppler quality index (Q) versus wavenumber v. This is the normalized RMS of the derivative of the spectrum and is proportional to the photon-limited Doppler signal to noise ratio

Taylor dispersion of nanoparticles

Science.gov (United States)

Balog, Sandor; Urban, Dominic A.; Milosevic, Ana M.; Crippa, Federica; Rothen-Rutishauser, Barbara; Petri-Fink, Alke

2017-08-01

The ability to detect and accurately characterize particles is required by many fields of nanotechnology, including materials science, nanotoxicology, and nanomedicine. Among the most relevant physicochemical properties of nanoparticles, size and the related surface-to-volume ratio are fundamental ones. Taylor dispersion combines three independent phenomena to determine particle size: optical extinction, translational diffusion, and sheer-enhanced dispersion of nanoparticles subjected to a steady laminar flow. The interplay of these defines the apparent size. Considering that particles in fact are never truly uniform nor monodisperse, we rigorously address particle polydispersity and calculate the apparent particle size measured by Taylor dispersion analysis. We conducted case studies addressing aqueous suspensions of model particles and large-scale-produced "industrial" particles of both academic and commercial interest of various core materials and sizes, ranging from 15 to 100 nm. A comparison with particle sizes determined by transmission electron microscopy confirms that our approach is model-independent, non-parametric, and of general validity that provides an accurate account of size polydispersity—independently on the shape of the size distribution and without any assumption required a priori.

First principles calculations for analysis martensitic transformations

International Nuclear Information System (INIS)

Harmon, B.N.; Zhao, G.L.; Ho, K.M.; Chan, C.T.; Ye, Y.Y.; Ding, Y.; Zhang, B.L.

1993-01-01

The change in crystal energy is calculated for atomic displacements corresponding to phonons, elastic shears, and lattice transformations. Anomalies in the phonon dispersion curves of NiAl and NiTi are analyzed and recent calculations for TiPd alloys are presented

Numerical study on general dispersion relation of anisotropic and weakly relativistic plasma

International Nuclear Information System (INIS)

Ke Fujiu; Chen Yanping

1987-01-01

The key problem in heating and instability studies in plasma physics is to obtain dispersive equation and its solution. This paper presents the general dispersive equation and corresponding procedure for electromagnetic wave which nearly poloidally impinges on anisotropic, weakly relativistic Maxwellian plasma with inhomogeneous density in nonuniform magnetic field (such as plasma in TOKAMAK). The double index function F ij , significant in plasma physics, was expanded as single index function F 1 , and then the values were calculated by means of dispersive function. It was also pointed out that the severe error would be involved in the calculation of F ij from recurrence relation of F 11

Assessment of impact distances for particulate matter dispersion: A stochastic approach

Energy Technology Data Exchange (ETDEWEB)

Godoy, S.M.; Mores, P.L.; Santa Cruz, A.S.M. [CAIMI - Centro de Aplicaciones Informaticas y Modelado en Ingenieria, Universidad Tecnologica Nacional-Facultad Regional Rosario, Zeballos 1341-S2000 BQA Rosario, Santa Fe (Argentina); Scenna, N.J. [CAIMI - Centro de Aplicaciones Informaticas y Modelado en Ingenieria, Universidad Tecnologica Nacional-Facultad Regional Rosario, Zeballos 1341-S2000 BQA Rosario, Santa Fe (Argentina); INGAR - Instituto de Desarrollo y Diseno (Fundacion ARCIEN - CONICET), Avellaneda 3657, S3002 GJC Santa Fe (Argentina)], E-mail: nscenna@santafe-conicet.gov.ar

2009-10-15

It is known that pollutants can be dispersed from the emission sources by the wind, or settled on the ground. Particle size, stack height, topography and meteorological conditions strongly affect particulate matter (PM) dispersion. In this work, an impact distance calculation methodology considering different particulate sizes is presented. A Gaussian-type dispersion model for PM that handles size particles larger than 0.1 {mu}m is used. The model considers primary particles and continuous emissions. PM concentration distribution at every affected geographical point defined by a grid is computed. Stochastic uncertainty caused by the natural variability of atmospheric parameters is taken into consideration in the dispersion model by applying a Monte Carlo methodology. The prototype package (STRRAP) that takes into account the stochastic behaviour of atmospheric variables, developed for risk assessment and safe distances calculation [Godoy SM, Santa Cruz ASM, Scenna NJ. STRRAP SYSTEM - A software for hazardous materials risk assessment and safe distances calculation. Reliability Engineering and System Safety 2007;92(7):847-57] is enlarged for the analysis of the PM air dispersion. STRRAP computes distances from the source to every affected receptor in each trial and generates the impact distance distribution for each particulate size. In addition, a representative impact distance value to delimit the affected area can be obtained. Fuel oil stack effluents dispersion in Rosario city is simulated as a case study. Mass concentration distributions and impact distances are computed for the range of interest in environmental air quality evaluations (PM{sub 2.5}-PM{sub 10})

Assessment of impact distances for particulate matter dispersion: A stochastic approach

International Nuclear Information System (INIS)

Godoy, S.M.; Mores, P.L.; Santa Cruz, A.S.M.; Scenna, N.J.

2009-01-01

It is known that pollutants can be dispersed from the emission sources by the wind, or settled on the ground. Particle size, stack height, topography and meteorological conditions strongly affect particulate matter (PM) dispersion. In this work, an impact distance calculation methodology considering different particulate sizes is presented. A Gaussian-type dispersion model for PM that handles size particles larger than 0.1 μm is used. The model considers primary particles and continuous emissions. PM concentration distribution at every affected geographical point defined by a grid is computed. Stochastic uncertainty caused by the natural variability of atmospheric parameters is taken into consideration in the dispersion model by applying a Monte Carlo methodology. The prototype package (STRRAP) that takes into account the stochastic behaviour of atmospheric variables, developed for risk assessment and safe distances calculation [Godoy SM, Santa Cruz ASM, Scenna NJ. STRRAP SYSTEM - A software for hazardous materials risk assessment and safe distances calculation. Reliability Engineering and System Safety 2007;92(7):847-57] is enlarged for the analysis of the PM air dispersion. STRRAP computes distances from the source to every affected receptor in each trial and generates the impact distance distribution for each particulate size. In addition, a representative impact distance value to delimit the affected area can be obtained. Fuel oil stack effluents dispersion in Rosario city is simulated as a case study. Mass concentration distributions and impact distances are computed for the range of interest in environmental air quality evaluations (PM 2.5 -PM 10 ).

Identification of calculation hierarchy and information flow for postclosure performance assessment

International Nuclear Information System (INIS)

Avci, H.I.; Cunnane, J.C.; Brandstetter, A.

1990-01-01

A management tool consisting of calculation hierarchy and information flow diagrams is being prepared to address the resolution of major postclosure performance issues for a geologic high-level radioactive waste repository in the U.S.A. The diagrams will indicate the types of calculations and data needed to assess the postclosure performance of the repository. Separate diagrams will be generated for different scenario classes and conceptual models. The methodology used in developing these diagrams and their contents are illustrated for a single scenario and conceptual model. 5 refs., 5 figs

Dispersion relation and relative intensity for double-plasmon satellites

International Nuclear Information System (INIS)

Srivastava, K.S.; Shiv Singh; Harsh, O.K.

1981-01-01

An expression for the dispersion relation and the relative intensity of double-plasmon oscillations and satellites has been derived by extending the dispersion relation and the extended Bohm and Pines Hamiltonian to second order. The calculated value of the relative intensity of the double-plasmon satellite for Be agrees fairly well with the value observed experimentally by other workers. (orig.)

Analysis of drugs of abuse in human plasma by dispersive liquid-liquid microextraction and high-performance liquid chromatography.

Science.gov (United States)

Fernández, P; Regenjo, M; Bermejo, A M; Fernández, A M; Lorenzo, R A; Carro, A M

2015-04-01

Opioids and cocaine are widely used at present, both for recreational purposes and as drugs of abuse. This raises the need to develop new analytical methods specifically designed for the simultaneous detection of several drugs of abuse in biological samples. In this work, dispersive liquid-liquid microextraction (DLLME) was assessed as a new sample treatment for the simultaneous extraction of morphine (MOR), 6-acetylmorphine (6AM), cocaine (COC), benzoylecgonine (BZE) and methadone (MET) from human plasma. Preliminary assays were done before developing an experimental design based on a Uniform Network Doehlert which allowed the optimum extraction conditions to be identified, namely: a volume of extractant solvent (chloroform) and dispersant solvent (acetonitrile) of 220 µl and 3.2 ml, respectively; 0.2 g of NaCl as a salting-out additive; pH 10.6 and ultrasound stirring for 3.5 min. The resulting extracts were analyzed by high-performance liquid chromatography with photodiode array detection (HPLC-PDA), using an XBridge® RP18 column (250 × 4.6 mm i.d., 5 µm particle size). Calibration graphs were linear over the concentration range 0.1-10 µg ml⁻¹, and detection limits ranged from 13.9 to 28.5 ng ml⁻¹. Precision calculated at three different concentration levels in plasma was included in the range 0.1-6.8% RSD. Recoveries of the five drugs were all higher than 84% on average. Finally the proposed method was successfully applied to 22 plasma samples from heroin, cocaine and/or methadone users, and the most frequently detected drug was benzoylecgonine, followed by methadone, cocaine and morphine. Copyright © 2014 John Wiley & Sons, Ltd.

System Performance of Concatenated STBC and Block Turbo Codes in Dispersive Fading Channels

Directory of Open Access Journals (Sweden)

Kam Tai Chan

2005-05-01

Full Text Available A new scheme of concatenating the block turbo code (BTC with the space-time block code (STBC for an OFDM system in dispersive fading channels is investigated in this paper. The good error correcting capability of BTC and the large diversity gain characteristics of STBC can be achieved simultaneously. The resulting receiver outperforms the iterative convolutional Turbo receiver with maximum- a-posteriori-probability expectation maximization (MAP-EM algorithm. Because of its ability to perform the encoding and decoding processes in parallel, the proposed system is easy to implement in real time.

Survey of literature on dispersion ratio and collection ratio of radioisotopes in animal study using radioisotopes

International Nuclear Information System (INIS)

Tozuka, Zenzaburo; Doi, Masahiro; Miyazawa, Eiji; Kawakami, Takeo

1998-01-01

A survey of literature in the title was performed to know the actual status of the dispersion from excretion and expiration studies of radioisotopes since, at present, the probable dispersion ratio is assumed to be 100% in calculation for legally permitted use of radioisotopes which conceivably being far from the real status and being incompatible with the guideline for pharmacokinetic studies requiring the recovery of >95% of dosed radioactivity in balance study. There are two interpretations for the dispersion; it is the expiration ratio and it is the fraction unrecovered. Survey was done on 11 Japanese and foreign journals in 1985-1996 publishing most of pharmacokinetic studies and on 650 compounds in 358 facilities with 1,975 experiments in total. In those experiments, the total recovery of radioactivity was 95% in average, unrecovered fraction, 5% and expiration ratio, 2%. As for unclide, 14 C, 3 H, 125 I and 35 S were surveyed since they occupied 99.4% of the experiments and their dispersion was <5%. Rats were used in 70% of the experiments and the dispersion in all animal experiments was about 5%. Administration route was regardless of the dispersion. (K.H.)

Research on simulation technology for CBRN threat assessment system. Prediction technology for atmospheric dispersion of CBRN materials

International Nuclear Information System (INIS)

Miura, Hiroaki; Yano, Masanori; Nakata, Mitsuhiro; Takeda, Masaki

2013-01-01

The technical survey is conducted on the CBRN (Chemical, Biological, Radiological and Nuclear) Threat Assessment System Simulation Technology. The dispersion property of CBRN materials is summarized, and the current simulation techniques for CBRN materials dispersion are described. The effects of advection-diffusion, sedimentation by the gravity, buoyancy and wash-out by rainfall on the dispersion property of CBRN materials should be considered in the simulation modeling. The concentration distribution of CBRN materials is predicted through the meteorological analysis, the flow analysis and the dispersion analysis, and the hazard map will be produced from that. A selection of simulation method, model, domain and number of computational grid points is necessary to perform the simulation, considering the balance between calculation cost and prediction accuracy. For construction of CBRN Threat Assessment System, it is important how to integrate the developed simulation element technologies and threat assessment technologies. (author)

Phonon dispersion relation in zircon, ZrSiO4 using inelastic neutron scattering at a pulsed neutron source

International Nuclear Information System (INIS)

Mittal, R.; Chaplot, S.L.; Parthasarathy, R.; Bull, M.J.; Harris, M.J.

2000-01-01

The coherent inelastic neutron scattering technique is used for the measurements of phonon dispersion relation in a geophysically important mineral zircon using PRISMA spectrometer as ISIS, UK. Lattice dynamical calculations of the phonon dispersion relation are carried out using a shell model. The one-phonon structure factors are calculated for selecting the Bragg points for the measurements and assignment of phonons to different branches. The calculations are in good agreement with the measured phonon dispersion relation. (author)

Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion

International Nuclear Information System (INIS)

Bereau, Tristan; Lilienfeld, O. Anatole von

2014-01-01

We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R 6 correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol

Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion

Energy Technology Data Exchange (ETDEWEB)

Bereau, Tristan, E-mail: bereau@mpip-mainz.mpg.de [Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany and Department of Chemistry, University of Basel, 4056 Basel (Switzerland); Lilienfeld, O. Anatole von [Department of Chemistry, Institute of Physical Chemistry, University of Basel, 4056 Basel, Switzerland and Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2014-07-21

We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R{sup 6} correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol.

Radionuclide composition in nuclear fuel waste. Calculations performed by ORIGEN2

International Nuclear Information System (INIS)

Lyckman, C.

1996-01-01

The report accounts for results from calculations on the content of radionuclides in nuclear fuel waste. It also accounts for the results from calculations on the neutron flow from spent fuel, which is very important during transports. The calculations have been performed using the ORIGEN2 software. The results have been compared to other results from earlier versions of ORIGEN and some differences have been discovered. This is due to the updating of the software. 7 refs, 10 figs, 15 tabs

Study of the determination method of the river dispersion coefficient

International Nuclear Information System (INIS)

Carvalho, M.A.G. de.

1982-01-01

An application of the method introduced by 'Fischer, H.B. - 1968 - Dispersion prediction in natural streams Journal of the Sanitary Engineering Division, ACSE, vol. 94 n 5A5. Proc. Paper 6169 pp 927-943.', for the calculation of the dispersion coefficient, based on Taylor's model is made. The aim is to develop a method which avoids the necessity of having an instantaneous impulse at the entrance section (1st section) of the system being measured. The dispersion coefficient is determined by curve fitting the experimental response in the 2nd secton and that obtained with the model by means of the non-linear least-squares method. The same method is applied with the residence time distribution function. The theoretical differences between these two function and their results are discussed. By adjusting the two model parameters in all these calculations, the dispersion coefficient and the mean velocity are determined, simultaneously. A comparison between the moment's method and Fischer's formulation is also done using the same experimental data. (E.G.) [pt

Determination of diflubenzuron and chlorbenzuron in fruits by combining acetonitrile-based extraction with dispersive liquid-liquid microextraction followed by high-performance liquid chromatography.

Science.gov (United States)

Ruan, Chunqiang; Zhao, Xiang; Liu, Chenglan

2015-09-01

In this study, a simple and low-organic-solvent-consuming method combining an acetonitrile-partitioning extraction procedure followed by "quick, easy, cheap, effective, rugged and safe" cleanup with ionic-liquid-based dispersive liquid-liquid microextraction and high-performance liquid chromatography with diode array detection was developed for the determination of diflubenzuron and chlorbenzuron in grapes and pears. Ionic-liquid-based dispersive liquid-liquid microextraction was performed using the ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate as the extractive solvent and acetonitrile extract as the dispersive solvent. The main factors influencing the efficiency of the dispersive liquid-liquid microextraction were evaluated, including the extractive solvent type and volume and the dispersive solvent volume. The validation parameters indicated the suitability of the method for routine analyses of benzoylurea insecticides in a large number of samples. The relative recoveries at three spiked levels ranged between 98.6 and 109.3% with relative standard deviations of less than 5.2%. The limit of detection was 0.005 mg/kg for the two insecticides. The proposed method was successfully used for the rapid determination of diflubenzuron and chlorbenzuron residues in real fruit samples. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the relationship between magnetostatic wave energy and dispersion characteristics in ferrite structures

International Nuclear Information System (INIS)

Vashkovsky, Anatolii V; Lock, Edwin H

2011-01-01

The energy and dispersion characteristics of a dipole spin wave in a ferrite-dielectric-metal structure are calculated. An analysis of spin wave dispersion characteristics with extreme points demonstrates how fundamental relationships among the propagation constant, phase and group velocities, Poynting vector, and power flux manifest themselves when the wavenumber changes near these points. A comparison of magnetostatic approximation results with calculations using Maxwell's equations shows the inadequacy of the magnetostatic approximation formulas currently used for calculating the Poynting vector and power flux of dipole spin waves. A correct alternative is proposed. (methodological notes)

Dispersions in Semi-Classical Dynamics

International Nuclear Information System (INIS)

Zielinska-Pfabe, M.; Gregoire, C.

1987-01-01

Dispersions around mean values of one-body observables are obtained by restoring classical many-body correlations in Vlasov and Landau-Vlasov dynamics. The method is applied to the calculation of fluctuations in mass, charge and linear momentum in heavy-ion collisions. Results are compared to those obtained by the Balian-Veneroni variational principle in semi-classical approximation

A system for real-time environmental assessment using an operational meteorological data base for dispersion calculations

International Nuclear Information System (INIS)

Appelgren, A.; Hallberg, B.; Nordlinder, S.; Salomonsson, S.

1990-01-01

A method for assessing the meteorological conditions on a local scale, about 20 km, around a specific site was developed, and applied to the area around the Forsmark nuclear power plant, situated on the coast about 100 km north of Stockholm. Meteorological data were collected, for an one-year period, from sensors in a tower and from a Sodar system at Forsmark. In addition, two Sodar systems were placed at several locations around the power plant, out to a distance of approximately 20 km. By statistical compiling, an operational data base was established, consisting of classes of wind speed, wind direction and atmospheric stability. The data from the remote sites were related to those from Forsmark. This gave the possibility to determine the variation of the meteorological conditions in time and space, using data from a single location only. The main objective of the Forsmark project was to identify and indicate situations in which the conditions for dispersion were difficult to model accurately when using measurements taken from a conventional tower, without knowledge of the influence of local mesoscale disturbances. Such could be e.g. sea breeze, large horizontal or vertical wind shear, terrain-induced flow patterns etc. The use of an operational data base, as described above, in connection with real-time dispersion models, such as AIRPAC/EMMA, will improve the performance of such models, as well as consequence analyses, in case of accidental releases from nuclear power plants or other industrial plants

High performance graphene- and MWCTNs-based PS/PPO composites obtained via organic solvent dispersion

NARCIS (Netherlands)

Ghislandi, M.G.; Tkalya, E.; Schillinger, S.; Koning, C.E.; With, de G.

2013-01-01

The concept of liquid-phase dispersion was applied for the preparation of well-dispersed suspensions of MWCNTs and graphene in chloroform, using long-time ultra-sonication without the use of surfactants. The dispersions with pre-defined filler concentration (0.5 mg/ml) were monitored via UV–Vis

New Mechanisms to Explain the Effects of Added Lactose Fines on the Dispersion Performance of Adhesive Mixtures for Inhalation

Science.gov (United States)

Grasmeijer, Floris; Lexmond, Anne J.; van den Noort, Maarten; Hagedoorn, Paul; Hickey, Anthony J.; Frijlink, Henderik W.; de Boer, Anne H.

2014-01-01

Fine excipient particles or ‘fines’ have been shown to improve the dispersion performance of carrier-based formulations for dry powder inhalation. Mechanistic formulation studies have focussed mainly on explaining this positive effect. Previous studies have shown that higher drug contents may cause a decrease in dispersion performance, and there is no reason why this should not be true for fines with a similar shape, size and cohesiveness as drug particles. Therefore, the effects on drug detachment of ‘fine lactose fines’ (FLF, X50 = 1.95 µm) with a similar size and shape as micronised budesonide were studied and compared to those of ‘coarse lactose fines’ (CLF, X50 = 3.94 µm). Furthermore, interactions with the inhalation flow rate, the drug content and the mixing order were taken into account. The observed effects of FLF are comparable to drug content effects in that the detached drug fraction was decreased at low drug content and low flow rates but increased at higher flow rates. At high drug content the effects of added FLF were negligible. In contrast, CLF resulted in higher detached drug fractions at all flow rates and drug contents. The results from this study suggest that the effects of fines may be explained by two new mechanisms in addition to those previously proposed. Firstly, fines below a certain size may increase the effectiveness of press-on forces or cause the formation of strongly coherent fine particle networks on the carrier surface containing the drug particles. Secondly, when coarse enough, fines may prevent the formation of, or disrupt such fine particle networks, possibly through a lowering of their tensile strength. It is recommended that future mechanistic studies are based on the recognition that added fines may have any effect on dispersion performance, which is determined by the formulation and dispersion conditions. PMID:24489969

Chromatic dispersion of liquid crystal infiltrated capillary tubes and photonic crystal fibers

DEFF Research Database (Denmark)

Rasmussen, Per Dalgaard; Lægsgaard, Jesper; Bang, Ole

2006-01-01

We consider chromatic dispersion of capillary tubes and photonic crystal fibers infiltrated with liquid crystals. A perturbative scheme for inclusion of material dispersion of both liquid crystal and the surrounding waveguide material is derived. The method is used to calculate the chromatic...

ATMOSPHERIC DISPERSION COEFFICIENTS & RADIOLOGICAL & TOXICOLOGICAL EXPOSURE METHODOLOGY FOR USE IN TANK FARMS

Energy Technology Data Exchange (ETDEWEB)

SANDGREN, K.R.

2005-03-03

This report presents the atmospheric dispersion coefficients used in Tank Farm safety analyses. The current revision also includes atmospheric dispersion coefficients used for analyses of the Demonstration Bulk Vitrification System. The basic equations for calculating radiological and toxicological exposures are also included.

The New Performance Calculation Method of Fouled Axial Flow Compressor

Directory of Open Access Journals (Sweden)

Huadong Yang

2014-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-08-01

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

Dose evaluation by radon dispersion in the uranium mining tailings of Malargue

International Nuclear Information System (INIS)

Baron, J.; Bastianelli, B.; Ferrer, F.; Munoz, G.

1996-01-01

The objective of this work is the environmental impact evaluation of the uranium mining tailings actually sited in Malargue, due to atmospheric dispersion of radon gas and its inhalation by inhabitants of the vicinity Malargue factory complex is located at the south of Mendoza-Argentina. the complex was an industrial installation to treat uranium mineral, which started operation in 1954 and was operable until December 1986. As a by-product of this industrial process approximately 700 thousand tons of tailings were generated. They actually cover about 9 Ha in four piles with a ∼6 m height above the ground. their final disposal is at present under discussion, and in this frame the present work is performed. In the work a Gaussian-plume dispersion model was developed, using local meteorological data, with specific correlations to consider the different stability classes, according to the Pasquill-Gifford concept. The model is fed with the meteorological information provided by two towers mounted by the Atomic Energy Commission, that bring information each half hour. This information for 211 full days is available. The model considers the wind induced[dispersion, the corrections for emission period (discretized in half hour intervals), the stability class (automatically chosen as a function of day time and wind speed) and radioactive decay. The model calculates the inhalation dose with a non-equilibrium factor which depends on the time since release. Finally the model integrates the dose in time, and provides yearly doses in any coordinates point. Special attention was devoted to the fact that the source is extended, and several source discretization were performed until reliable results were obtained. the model allows for comparative calculations. As the work result the yearly doses were obtained, for four 'critical groups' of interest. They correspond to three nearby houses, and downtown Malargue. (authors). 6 refs., 3 tabs

Plutonium explosive dispersal modeling using the MACCS2 computer code

International Nuclear Information System (INIS)

Steele, C.M.; Wald, T.L.; Chanin, D.I.

1998-01-01

The purpose of this paper is to derive the necessary parameters to be used to establish a defensible methodology to perform explosive dispersal modeling of respirable plutonium using Gaussian methods. A particular code, MACCS2, has been chosen for this modeling effort due to its application of sophisticated meteorological statistical sampling in accordance with the philosophy of Nuclear Regulatory Commission (NRC) Regulatory Guide 1.145, ''Atmospheric Dispersion Models for Potential Accident Consequence Assessments at Nuclear Power Plants''. A second advantage supporting the selection of the MACCS2 code for modeling purposes is that meteorological data sets are readily available at most Department of Energy (DOE) and NRC sites. This particular MACCS2 modeling effort focuses on the calculation of respirable doses and not ground deposition. Once the necessary parameters for the MACCS2 modeling are developed and presented, the model is benchmarked against empirical test data from the Double Tracks shot of project Roller Coaster (Shreve 1965) and applied to a hypothetical plutonium explosive dispersal scenario. Further modeling with the MACCS2 code is performed to determine a defensible method of treating the effects of building structure interaction on the respirable fraction distribution as a function of height. These results are related to the Clean Slate 2 and Clean Slate 3 bunkered shots of Project Roller Coaster. Lastly a method is presented to determine the peak 99.5% sector doses on an irregular site boundary in the manner specified in NRC Regulatory Guide 1.145 (1983). Parametric analyses are performed on the major analytic assumptions in the MACCS2 model to define the potential errors that are possible in using this methodology

Plutonium explosive dispersal modeling using the MACCS2 computer code

Energy Technology Data Exchange (ETDEWEB)

Steele, C.M.; Wald, T.L.; Chanin, D.I.

1998-11-01

The purpose of this paper is to derive the necessary parameters to be used to establish a defensible methodology to perform explosive dispersal modeling of respirable plutonium using Gaussian methods. A particular code, MACCS2, has been chosen for this modeling effort due to its application of sophisticated meteorological statistical sampling in accordance with the philosophy of Nuclear Regulatory Commission (NRC) Regulatory Guide 1.145, ``Atmospheric Dispersion Models for Potential Accident Consequence Assessments at Nuclear Power Plants``. A second advantage supporting the selection of the MACCS2 code for modeling purposes is that meteorological data sets are readily available at most Department of Energy (DOE) and NRC sites. This particular MACCS2 modeling effort focuses on the calculation of respirable doses and not ground deposition. Once the necessary parameters for the MACCS2 modeling are developed and presented, the model is benchmarked against empirical test data from the Double Tracks shot of project Roller Coaster (Shreve 1965) and applied to a hypothetical plutonium explosive dispersal scenario. Further modeling with the MACCS2 code is performed to determine a defensible method of treating the effects of building structure interaction on the respirable fraction distribution as a function of height. These results are related to the Clean Slate 2 and Clean Slate 3 bunkered shots of Project Roller Coaster. Lastly a method is presented to determine the peak 99.5% sector doses on an irregular site boundary in the manner specified in NRC Regulatory Guide 1.145 (1983). Parametric analyses are performed on the major analytic assumptions in the MACCS2 model to define the potential errors that are possible in using this methodology.

Dispersal networks for enhancing bacterial degradation in heterogeneous environments

International Nuclear Information System (INIS)

Banitz, Thomas; Wick, Lukas Y.; Fetzer, Ingo; Frank, Karin; Harms, Hauke; Johst, Karin

2011-01-01

Successful biodegradation of organic soil pollutants depends on their bioavailability to catabolically active microorganisms. In particular, environmental heterogeneities often limit bacterial access to pollutants. Experimental and modelling studies revealed that fungal networks can facilitate bacterial dispersal and may thereby improve pollutant bioavailability. Here, we investigate the influence of such bacterial dispersal networks on biodegradation performance under spatially heterogeneous abiotic conditions using a process-based simulation model. To match typical situations in polluted soils, two types of abiotic conditions are studied: heterogeneous bacterial dispersal conditions and heterogeneous initial resource distributions. The model predicts that networks facilitating bacterial dispersal can enhance biodegradation performance for a wide range of these conditions. Additionally, the time horizon over which this performance is assessed and the network's spatial configuration are key factors determining the degree of biodegradation improvement. Our results support the idea of stimulating the establishment of fungal mycelia for enhanced bioremediation of polluted soils. - Highlights: → Bacterial dispersal networks can considerably improve biodegradation performance. → They facilitate bacterial access to dispersal-limited areas and remote resources. → Abiotic conditions, time horizon and network structure govern the improvements. → Stimulating the establishment of fungal mycelia promises enhanced soil remediation. - Simulation modelling demonstrates that fungus-mediated bacterial dispersal can considerably improve the bioavailability of organic pollutants under spatially heterogeneous abiotic conditions typical for water-unsaturated soils.

Dispersal networks for enhancing bacterial degradation in heterogeneous environments

Energy Technology Data Exchange (ETDEWEB)

Banitz, Thomas, E-mail: thomas.banitz@ufz.de [Department of Ecological Modelling, UFZ - Helmholtz Centre for Environmental Research, Permoserstr. 15, 04318 Leipzig (Germany); Wick, Lukas Y.; Fetzer, Ingo [Department of Environmental Microbiology, UFZ - Helmholtz Centre for Environmental Research, Permoserstr. 15, 04318 Leipzig (Germany); Frank, Karin [Department of Ecological Modelling, UFZ - Helmholtz Centre for Environmental Research, Permoserstr. 15, 04318 Leipzig (Germany); Harms, Hauke [Department of Environmental Microbiology, UFZ - Helmholtz Centre for Environmental Research, Permoserstr. 15, 04318 Leipzig (Germany); Johst, Karin [Department of Ecological Modelling, UFZ - Helmholtz Centre for Environmental Research, Permoserstr. 15, 04318 Leipzig (Germany)

2011-10-15

Successful biodegradation of organic soil pollutants depends on their bioavailability to catabolically active microorganisms. In particular, environmental heterogeneities often limit bacterial access to pollutants. Experimental and modelling studies revealed that fungal networks can facilitate bacterial dispersal and may thereby improve pollutant bioavailability. Here, we investigate the influence of such bacterial dispersal networks on biodegradation performance under spatially heterogeneous abiotic conditions using a process-based simulation model. To match typical situations in polluted soils, two types of abiotic conditions are studied: heterogeneous bacterial dispersal conditions and heterogeneous initial resource distributions. The model predicts that networks facilitating bacterial dispersal can enhance biodegradation performance for a wide range of these conditions. Additionally, the time horizon over which this performance is assessed and the network's spatial configuration are key factors determining the degree of biodegradation improvement. Our results support the idea of stimulating the establishment of fungal mycelia for enhanced bioremediation of polluted soils. - Highlights: > Bacterial dispersal networks can considerably improve biodegradation performance. > They facilitate bacterial access to dispersal-limited areas and remote resources. > Abiotic conditions, time horizon and network structure govern the improvements. > Stimulating the establishment of fungal mycelia promises enhanced soil remediation. - Simulation modelling demonstrates that fungus-mediated bacterial dispersal can considerably improve the bioavailability of organic pollutants under spatially heterogeneous abiotic conditions typical for water-unsaturated soils.

Effect of electronic correlations on the quasiparticle dispersion of USb2

International Nuclear Information System (INIS)

Yang Xiaodong; Riseborough, Peter S; Durakiewicz, Tomasz; Oppeneer, P M; Elgazzar, S

2010-01-01

Angle resolved photoemission experiments have been performed on USb 2 , and very narrow quasiparticle peaks have been observed in a band which LSDA predicts to osculate the Fermi-energy. The observed band is found to be depressed by 17 meV below the Fermi-energy, furthermore, the inferred quasiparticle dispersion relation for this band exhibits a kink at an energy of about 23 meV below the Fermi-energy. The kink is not found in LSDA calculations and, therefore, is attributable to a change in the quasiparticle mass renormalization by a factor of approximately 2. The existence of a kink in the quasiparticle dispersion relation of a band which does not cross the Fermi-energy is unprecedented. The origin of the observed depression of the band, its quasi-particle mass enhancement, and the characteristic energy are discussed on the basis of a theoretical model.

Theoretical Magnon Dispersion Curves for Gd

DEFF Research Database (Denmark)

Lindgård, Per-Anker; Harmon, B. N.; Freeman, A. J.

1975-01-01

The magnon dispersion curve of Gd metal has been determined from first principles by use of augmented-plane-wave energy bands and wave functions. The exchange matrix elements I(k⃗, k⃗′) between the 4f electrons and the conduction electrons from the first six energy bands were calculated under...

Analysis of chlorpheniramine in human urine samples using dispersive liquid-liquid microextraction combined with high-performance liquid chromatography

Directory of Open Access Journals (Sweden)

Mehdi Maham

2014-09-01

Full Text Available A simple and environmentally friendly microextraction technique was used for determination of chlorpheniramine (CPM, an antihistamine drug, in human urine samples using dispersive liquid-liquid microextraction (DLLME followed by high performance liquid chromatography with diode array detection (HPLC-DAD. In this extraction technique, an appropriate mixture of acetonitrile (disperser solvent and carbon tetrachloride (extraction solvent was rapidly injected into the urine sample containing the target analyte. Tiny droplets of extractant were formed and dispersed into the sample solution and then sedimented at the bottom of the conical test tube by centrifugation. Under optimal conditions, the calibration curve was linear in the range of 0.055-5.5 µg mL-1, with a detection limit of 16.5 ng mL-1. This proposed method was successfully applied to the analysis of real urine samples. Low consumption of toxic organic solvents, simplicity of operation, low cost and acceptable figures of merit are the main advantages of the proposed technique.

Permeability and Dispersion Coefficients in Rocks with Fracture Network - 12140

Energy Technology Data Exchange (ETDEWEB)

Lee, C.K.; Htway, M.Z. [Handong Global University, 3 Namsong-ri, Heunghae-eub, Buk-gu, Pohang, Kyungbuk, 791-708 (Korea, Republic of); Yim, S.P. [Korea Atomic Energy Research Institute, P.O.Box 150, Yusong, Daejon, 305-600 (Korea, Republic of)

2012-07-01

Fluid flow and solute transport are considered for a rock medium with a fracture network with regard to the effective permeability and the dispersion coefficients. To investigate the effects of individual fractures a three-fracture system is chosen in which two are parallel and the third one connects the two at different angles. Specifically the micro-cell boundary-value problems(defined through multiple scale analysis) are solved numerically by using finite elements to calculate the permeability and dispersion coefficients. It is shown that the permeability depends significantly on the pattern of the fracture distribution and the dispersion coefficient is influenced by both the externally imposed pressure gradient (which also reflects the flow field) and the direction of the gradient of solute concentration on the macro-scale. From the calculations of the permeability and dispersion coefficients for solute in a rock medium with a fracture network the following conclusions are drawn. 1. The permeability of fractured medium depends on the primary orientation of the fracture network and is influenced by the connecting fractures in the medium. 2. The cross permeability, e.g., permeability in the direction normal to the direction of the external pressure gradient is rather insensitive to the orientation of the fracture network. 3. Calculation of permeability is most efficiently achieved with optimal discretization across individual fractures and is rather insensitive to the discretization along the fracture.. 4. The longitudinal dispersion coefficient Dxx of a fractured medium depends on both the macro-scale concentration gradient and the direction of the flow (pressure gradient). Hence both features must be considered when investigating solute transport in a fractured medium. (authors)

Effects of dispersion on electromagnetic parameters of tape-helix Blumlein pulse forming line of accelerator

International Nuclear Information System (INIS)

Zhang, Y.; Liu, J.L.; Feng, J.H.

2012-01-01

In this paper, the tape-helix model is introduced in the field of intense electron beam accelerator to analyze the dispersion effects on the electromagnetic parameters of helical Blumlein pulse forming line (PFL). Work band and dispersion relation of the PFL are analyzed, and the normalized coefficients of spatial harmonics are calculated. Dispersion effects on the important electromagnetic parameters of PFL, such as phase velocity, slow-wave coefficient, electric length and pulse duration, are analyzed as the central topic. In the PFL, electromagnetic waves with different frequencies in the work band of PFL have almost the same phase velocity. When de-ionized water, transformer oil and air are used as the PFL filling dielectric, respectively, the pulse duration of the helical Blumlein PFL is calculated as 479.6 ns, 81.1 ns and 53.1 ns in order. Electromagnetic wave simulation and experiments are carried out to demonstrate the theoretical calculations of the electric length and pulse duration which directly describe the phase velocity and dispersion of the PFL. Simulation results prove the theoretical analysis and calculation on pulse duration. Experiment is carried out based on the tape-helix Blumlein PFL and magnetic switch system. Experimental results show that the pulse durations are tested as 460 ns, 79 ns and 49 ns in order when de-ionized water, transformer oil and air are used respectively. Experimental results basically demonstrate the theoretical calculations and the analyses of dispersion. (authors)

Quasi-pions with temperature dependent dispersion relation

International Nuclear Information System (INIS)

Gorenstein, M.I.

1995-01-01

We construct the procedure to calculate thermodynamical functions for a system of quasi-particles with temperature dependent dispersion relation. Two models for the hot quasi-pion system are considered to illustrate the importance of thermodynamical self consistency requirements. 8 refs., 9 figs

Dispersion interaction between an atom and linear molecule

International Nuclear Information System (INIS)

Carvalho, I.L. de

1987-01-01

The Jacobi-Csanak method is adapted to the calculation of the dipole-dipole, dipole-quadrupole, quadrupole-dipole, and quadrupole-quadrupole terms of the dispersion energy of an atom-linear molecule system. The angle-dependent parts of the Born amplitudes for the linear molecule are represented by real spherical harmonics. The dispersion energy is finite at all distances and reproduces the usual expression in the asymptotic region (R≥4.7 (angstrom)). In the intermediary region (2.4(angstrom) ≤ R [pt

Noise study of all-normal dispersion supercontinuum sources for potential application in optical coherence tomography

Science.gov (United States)

Gonzalo, I. B.; Engelsholm, R. D.; Bang, O.

2018-03-01

Commercially available silica-fiber-based and ultra-broadband supercontinuum (SC) sources are typically generated by pumping close to the zero-dispersion wavelength (ZDW) of a photonic crystal fiber (PCF), using high-power picosecond or nanosecond laser pulses. Despite the extremely broad bandwidths, such sources are characterized by large intensity fluctuations, limiting their performance for applications in imaging such as optical coherence tomography (OCT). An approach to eliminate the influence of noise sensitive effects is to use a so-called all-normal dispersion (ANDi) fiber, in which the dispersion is normal for all the wavelengths of interest. Pumping these types of fibers with short enough femtosecond pulses allows to suppress stimulated Raman scattering (SRS), which is known to be as noisy process as modulation instability (MI), and coherent SC is generated through self-phase modulation (SPM) and optical wave breaking (OWB). In this study, we show the importance of the pump laser and fiber parameters in the design of low-noise ANDi based SC sources, for application in OCT. We numerically investigate the pulse-to-pulse fluctuations of the SC, calculating the relative intensity noise (RIN) as a function of the pump pulse duration and fiber length. Furthermore, we experimentally demonstrate the role of the fiber length on the RIN of the ANDi SC, validating the results calculated numerically. In the end, we compare the RIN of a commercial SC source based on MI and the ANDi SC source developed here, which shows better noise performance when it is carefully designed.

Seed Dispersal Anachronisms: Rethinking the Fruits Extinct Megafauna Ate

OpenAIRE

Guimarães, Paulo R.; Galetti, Mauro; Jordano, Pedro

2008-01-01

Background: Some neotropical, fleshy-fruited plants have fruits structurally similar to paleotropical fruits dispersed by megafauna (mammals .103 kg), yet these dispersers were extinct in South America 10–15 Kyr BP. Anachronic dispersal systems are best explained by interactions with extinct animals and show impaired dispersal resulting in altered seed dispersal dynamics. Methodology/Principal Findings: We introduce an operational definition of megafaunal fruits and perform a comparativ...

Include dispersion in quantum chemical modeling of enzymatic reactions: the case of isoaspartyl dipeptidase.

Science.gov (United States)

Zhang, Hai-Mei; Chen, Shi-Lu

2015-06-09

The lack of dispersion in the B3LYP functional has been proposed to be the main origin of big errors in quantum chemical modeling of a few enzymes and transition metal complexes. In this work, the essential dispersion effects that affect quantum chemical modeling are investigated. With binuclear zinc isoaspartyl dipeptidase (IAD) as an example, dispersion is included in the modeling of enzymatic reactions by two different procedures, i.e., (i) geometry optimizations followed by single-point calculations of dispersion (approach I) and (ii) the inclusion of dispersion throughout geometry optimization and energy evaluation (approach II). Based on a 169-atom chemical model, the calculations show a qualitative consistency between approaches I and II in energetics and most key geometries, demonstrating that both approaches are available with the latter preferential since both geometry and energy are dispersion-corrected in approach II. When a smaller model without Arg233 (147 atoms) was used, an inconsistency was observed, indicating that the missing dispersion interactions are essentially responsible for determining equilibrium geometries. Other technical issues and mechanistic characteristics of IAD are also discussed, in particular with respect to the effects of Arg233.

Simulation of atmospheric dispersion of radionuclides using an Eulerian-Lagrangian modelling system.

Science.gov (United States)

Basit, Abdul; Espinosa, Francisco; Avila, Ruben; Raza, S; Irfan, N

2008-12-01

In this paper we present an atmospheric dispersion scenario for a proposed nuclear power plant in Pakistan involving the hypothetical accidental release of radionuclides. For this, a concept involving a Lagrangian stochastic particle model (LSPM) coupled with an Eulerian regional atmospheric modelling system (RAMS) is used. The atmospheric turbulent dispersion of radionuclides (represented by non-buoyant particles/neutral traces) in the LSPM is modelled by applying non-homogeneous turbulence conditions. The mean wind velocities governed by the topography of the region and the surface fluxes of momentum and heat are calculated by the RAMS code. A moving least squares (MLS) technique is introduced to calculate the concentration of radionuclides at ground level. The numerically calculated vertical profiles of wind velocity and temperature are compared with observed data. The results obtained demonstrate that in regions of complex terrain it is not sufficient to model the atmospheric dispersion of particles using a straight-line Gaussian plume model, and that by utilising a Lagrangian stochastic particle model and regional atmospheric modelling system a much more realistic estimation of the dispersion in such a hypothetical scenario was ascertained. The particle dispersion results for a 12 h ground release show that a triangular area of about 400 km(2) situated in the north-west quadrant of release is under radiological threat. The particle distribution shows that the use of a Gaussian plume model (GPM) in such situations will yield quite misleading results.

Dispersion cancellation in a triple Laue interferometer

International Nuclear Information System (INIS)

Lemmel, Hartmut

2014-01-01

The concept of dispersion cancellation has been established in light optics to improve the resolution of interferometric measurements on dispersive media. Odd order dispersion cancellation allows to measure phase shifts without defocusing the interferometer due to wave packet displacements, while even order dispersion cancellation allows to measure time lags without losing resolution due to wave packet spreading. We report that either type of dispersion cancellation can be realized very easily in a triple Laue interferometer. Such interferometers are Mach–Zehnder interferometers based on Bragg diffraction, and are commonly used for neutrons and x-rays. Although the first x-ray interferometer was built nearly five decades ago, the feature of dispersion cancellation hasn't been recognized so far because the concept was hardly known in the neutron and x-ray community. However, it explains right away the surprising decoupling of phase shift and spatial displacement that we have discovered recently in neutron interferometry (Lemmel and Wagh 2010 Phys. Rev. A 82 033626). Furthermore, this article might inspire the light optics community to consider whether a triple Laue interferometer for laser light would be useful and feasible. We explain how dispersion cancellation works in neutron interferometry, and we describe the setup rigorously by solving the Schrödinger equation and by calculating the path integral. We point out, that the latter has to be evaluated with special care since in our setup the beam trajectory moves with respect to the crystal lattice of the interferometer. (paper)

Parametric study of the dispersion aspects in a street-canyon area

Energy Technology Data Exchange (ETDEWEB)

Koutsourakis, N.; Neofytou, P.; Venetsanos, A.G.; Bartzis, J.G. [NCSR Demokritos (Greece). Environmental Research Lab.

2004-07-01

Continuously increasing vehicles' fleet is still considered to be the main emission factor in urban environments, despite the enormous progress of modern catalytic technology. Under that perspective, calculation of transportation induced pollutant dispersion is of augmented importance, especially within street canyons, where poor ventilation can result in awkward concentration levels. Computational Fluid Dynamics (CFD) studies have been conducted in the past by Neofytou, P. et al, so as to define appropriate locations for measuring-instrument placement by numerically simulating the flow and pollution dispersion fields in the vicinity of the measuring site taking into account the wind rose of the area and selecting locations of high pollution concentrations so that non-zero indications are assured. Vardoulakis, S. et al, provides a general overview of the street-canyon studies concerning both modelling and experimental investigations and offers plenty of references on air quality within street canyons. Besides air-quality, street canyon CFD studies have also been performed to evaluate accident consequences and hydrogen safety, Venetsanos A. et al. The current study examines a real street canyon in Thessaloniki, Greece. It was performed in order to examine dispersion patterns for different parameters' scenarios and help deciding where to place actual pollutant measurement instruments to better capture traffic pollution data. Various wind directions and speeds are examined and height influence on concentration levels is investigated. Complex area geometry is a key factor of the whole study. (orig.)

Application of air pollution dispersion modeling for source-contribution assessment and model performance evaluation at integrated industrial estate-Pantnagar

Energy Technology Data Exchange (ETDEWEB)

Banerjee, T., E-mail: tirthankaronline@gmail.com [Department of Environmental Science, G.B. Pant University of Agriculture and Technology, Pantnagar, U.S. Nagar, Uttarakhand 263 145 (India); Barman, S.C., E-mail: scbarman@yahoo.com [Department of Environmental Monitoring, Indian Institute of Toxicology Research, Post Box No. 80, Mahatma Gandhi Marg, Lucknow-226 001, Uttar Pradesh (India); Srivastava, R.K., E-mail: rajeevsrivastava08@gmail.com [Department of Environmental Science, G.B. Pant University of Agriculture and Technology, Pantnagar, U.S. Nagar, Uttarakhand 263 145 (India)

2011-04-15

Source-contribution assessment of ambient NO{sub 2} concentration was performed at Pantnagar, India through simulation of two urban mathematical dispersive models namely Gaussian Finite Line Source Model (GFLSM) and Industrial Source Complex Model (ISCST-3) and model performances were evaluated. Principal approaches were development of comprehensive emission inventory, monitoring of traffic density and regional air quality and conclusively simulation of urban dispersive models. Initially, 18 industries were found responsible for emission of 39.11 kg/h of NO{sub 2} through 43 elevated stacks. Further, vehicular emission potential in terms of NO{sub 2} was computed as 7.1 kg/h. Air quality monitoring delineates an annual average NO{sub 2} concentration of 32.6 {mu}g/m{sup 3}. Finally, GFLSM and ISCST-3 were simulated in conjunction with developed emission inventories and existing meteorological conditions. Models simulation indicated that contribution of NO{sub 2} from industrial and vehicular source was in a range of 45-70% and 9-39%, respectively. Further, statistical analysis revealed satisfactory model performance with an aggregate accuracy of 61.9%. - Research highlights: > Application of dispersion modeling for source-contribution assessment of ambient NO{sub 2}. > Inventorization revealed emission from industry and vehicles was 39.11 and 7.1 kg/h. > GFLSM revealed that vehicular pollution contributes a range of 9.0-38.6%. > Source-contribution of 45-70% was found for industrial emission through ISCST-3. > Aggregate performance of both models shows good agreement with an accuracy of 61.9%. - Development of industrial and vehicular inventory in terms of ambient NO{sub 2} for model simulation at Pantnagar, India and model validation revealed satisfactory outcome.

A user's guide to the atmospheric dispersion module NECTAR-ATMOS

International Nuclear Information System (INIS)

Barker, C.D.

1982-02-01

The NECTAR environmental computer code has been developed to meet the increasing demand for comprehensive calculations of the radiological consequences due to atmospheric releases of radioactivity. The code contains five calculational modules and this report presents a user's guide to the atmospheric dispersion and individual dose evaluation module NECTAR-ATMOS. The mathematical models employed in NECTAR-ATMOS are briefly described and a complete specification of the input data required for the module is given. The program includes facilities for reading in the source terms, for specifying the atmospheric dispersion parameters, for identifying the dose calculations required and for controlling output from the program to lineprinters and to output utility files. Three sample cases are included in an appendix to demonstrate some of the different ways in which the program may be used and also to provide examples for the prospective user. (author)

Development of a code to simulate dispersion of atmospheric released tritium gas in the environmental media and to evaluate doses. TRIDOSE

International Nuclear Information System (INIS)

Murata, Mikio; Noguchi, Hiroshi; Yokoyama, Sumi

2000-11-01

A computer code (TRIDOSE) was developed to assess the environmental impact of atmospheric released tritium gas (T 2 ) from nuclear fusion related facilities. The TRIDOSE simulates dispersion of T 2 and resultant HTO in the atmosphere, land, plant, water and foods in the environment, and evaluates contamination concentrations in the media and exposure doses. A part of the mathematical models in TRIDOSE were verified by comparison of the calculation with the results of the short range (400 m) dispersion experiment of HT gas performed in Canada postulating a short-time (30 minutes) accidental release. (author)

Faraday anomalous dispersion optical filters

Science.gov (United States)

Shay, T. M.; Yin, B.; Alvarez, L. S.

1993-01-01

The effect of Faraday anomalous dispersion optical filters on infrared and blue transitions of some alkali atoms is calculated. A composite system is designed to further increase the background noise rejection. The measured results of the solar background rejection and image quality through the filter are presented. The results show that the filter may provide high transmission and high background noise rejection with excellent image quality.

Performance prediction and flow field calculation for airfoil fan with impeller inlet clearance

International Nuclear Information System (INIS)

Kang, Shin Hyoung; Cao, Renjing; Zhang, Yangjun

2000-01-01

The performance prediction of an airfoil fan using a commercial code, STAR/CD, is verified by comparing the calculated results with measured performance data and velocity fields of an airfoil fan. The effects of inlet tip clearance on performance are investigated. The calculations overestimate the pressure rise performance by about 10-25 percent. However, the performance reduction due to tip clearance is well predicted by numerical simulations. Main source of performance decrease is not only the slip factor but also impeller efficiency. The reduction in performance is 12-16 percent for 1 percent gap of the diameter. The calculated reductions in impeller efficiency and slip factor are also linearly proportional to the gap size. The span-wise distributions of phase averaged velocity and pressure at the impeller exit are strongly influenced by the radial gap size. The radial component of velocity and the flow angle increase over the passage as the gap increases. The slip factor decreases and the loss increases with the gap size. The high velocity of leakage jet affects the impeller inlet and passage flows. With a larger clearance, the main stream moves to the impeller hub side and high loss region extends from the shroud to the hub

The complex dispersion relation of surface plasmon polaritons at gold/para-hexaphenylene interfaces

DEFF Research Database (Denmark)

Lemke, Christoph; Leißner, Till; Klick, Alwin

2014-01-01

Two-photon photoemission electron microscopy (2P-PEEM) is used to measure the real and imaginary part of the dispersion relation of surface plasmon polaritons at different interface systems. A comparison of calculated and measured dispersion data for a gold/vacuum interface demonstrates...

Stability studies of colloidal silica dispersions in binary solvent mixtures

International Nuclear Information System (INIS)

Bean, Keith Howard

1997-01-01

A series of monodispersed colloidal silica dispersions, of varying radii, has been prepared. These particles are hydrophilic in nature due to the presence of surface silanol groups. Some of the particles have been rendered hydrophobic by terminally grafting n-alkyl (C 18 ) chains to the surface. The stability of dispersions of these various particles has been studied in binary mixtures of liquids, namely (i) ethanol and cyclohexane, and (ii) benzene and n-heptane. The ethanol - cyclohexane systems have been studied using a variety of techniques. Adsorption excess isotherms have been established and electrophoretic mobility measurements have been made. The predicted stability of the dispersions from D.V.L.O. calculations is compared to the observed stability. The hydrophilic silica particles behave as predicted by the calculations, with the zeta potential decreasing and the van der Waals attraction increasing with increasing cyclohexane concentration. The hydrophobic particles behave differently than expected, and the stability as a function of solvent mixture composition does not show a uniform trend. The effect of varying the coverage of C 18 chains on the surface and the effect of trace water in the systems has also been investigated. Organophilic silica dispersions in benzene - n-heptane solvent mixtures show weak aggregation and phase separation into a diffuse 'gas-like' phase and a more concentrated 'liquid-like' phase, analogous to molecular condensation processes. Calculations of the van der Waals potential as a function of solvent mixture composition show good agreement with the observed stability. Determination of the number of particles in each phase at equilibrium allows the energy of flocculation to be determined using a simple thermodynamic relationship. Finally, the addition of an AB block copolymer to organophilic silica particles in benzene n-heptane solvent mixtures has been shown to have a marked effect on the dispersion stability. This stability

The application of an eddy diffusivity model to the dispersion of radionuclides in the atmosphere and the calculation of cloud gamma exposure

International Nuclear Information System (INIS)

Maul, P.R.

1981-05-01

A model which has been applied successfully to the study of the mesoscale transport of sulphur compounds can be adapted for radionuclides released from nuclear power stations. Although more complicated than the conventional Gaussian plume models it has several important advantages including the better representation of dry deposition and the variation of dispersion parameters with height above the surface. Building entrainment can be included in a straightforward manner and an approximate method can be used to incorporate isotope-dependent deposition velocities. A new method of calculating cloud gamma exposure is described which is particularly suited to eddy diffusivity models. This model will be used as an alternative to Gaussian plume methods in the BNL safety code NECTAR. (author)

A dispersion safety factor for LNG vapor clouds

Energy Technology Data Exchange (ETDEWEB)

Vílchez, Juan A. [TIPs – Trámites, Informes y Proyectos, SL, Llenguadoc 10, 08030 Barcelona (Spain); Villafañe, Diana [Centre d’Estudis del Risc Tecnològic (CERTEC), Universitat Politècnica de Catalunya, Diagonal 647, 08028 Barcelona, Catalonia (Spain); Casal, Joaquim, E-mail: joaquim.casal@upc.edu [Centre d’Estudis del Risc Tecnològic (CERTEC), Universitat Politècnica de Catalunya, Diagonal 647, 08028 Barcelona, Catalonia (Spain)

2013-02-15

Highlights: ► We proposed a new parameter: the dispersion safety factor (DSF). ► DSF is the ratio between the distance reached by the LFL and that reached by the visible cloud. ► The results for the DSF agree well with the evidence from large scale experiments. ► Two expressions have been proposed to calculate DSF as a function of H{sub R}. ► The DSF may help in indicating the danger of ignition of a LNG vapor cloud. -- Abstract: The growing importance of liquefied natural gas (LNG) to global energy demand has increased interest in the possible hazards associated with its storage and transportation. Concerning the event of an LNG spill, a study was performed on the relationship between the distance at which the lower flammability limit (LFL) concentration occurs and that corresponding to the visible contour of LNG vapor clouds. A parameter called the dispersion safety factor (DSF) has been defined as the ratio between these two lengths, and two expressions are proposed to estimate it. During an emergency, the DSF can be a helpful parameter to indicate the danger of cloud ignition and flash fire.

A dispersion safety factor for LNG vapor clouds

International Nuclear Information System (INIS)

Vílchez, Juan A.; Villafañe, Diana; Casal, Joaquim

2013-01-01

Highlights: ► We proposed a new parameter: the dispersion safety factor (DSF). ► DSF is the ratio between the distance reached by the LFL and that reached by the visible cloud. ► The results for the DSF agree well with the evidence from large scale experiments. ► Two expressions have been proposed to calculate DSF as a function of H R . ► The DSF may help in indicating the danger of ignition of a LNG vapor cloud. -- Abstract: The growing importance of liquefied natural gas (LNG) to global energy demand has increased interest in the possible hazards associated with its storage and transportation. Concerning the event of an LNG spill, a study was performed on the relationship between the distance at which the lower flammability limit (LFL) concentration occurs and that corresponding to the visible contour of LNG vapor clouds. A parameter called the dispersion safety factor (DSF) has been defined as the ratio between these two lengths, and two expressions are proposed to estimate it. During an emergency, the DSF can be a helpful parameter to indicate the danger of cloud ignition and flash fire

Dispersant field testing : a review of procedures and considerations

International Nuclear Information System (INIS)

Fingas, M.F.

2004-01-01

The effectiveness of a dispersant is defined by the amount of oil that the dispersant puts into the water column compared to the amount of oil that was initially spilled. Effectiveness is generally determined visually in plumes of dispersed oil that are visible from ships and aircraft. This paper describes 25 specific issues and technical concerns regarding field testing of dispersant effectiveness. Recent field tests were reviewed and literature that relates to testing procedures was sited. The 25 factors that are important for the appropriate outcome of dispersant field experiments include: mass balance; proper controls; analytical method; differential plume movement; time lag and length of time followed; mathematics of calculation and integration; lower and upper limits of analytical methods; use of remote sensing; thickness measurement; behaviour of oil with surfactant content; surfactant stripping; tracking surface oil and dispersed oil; recovering surface oil; visibility of oil from the surface; background levels of hydrocarbons; fluorescence of dispersant; herding; emulsion breaking; application success; heterogeneity of slick and plume; deposition measurements; true analytical standards; effect of wind on dispersant and slick; dispersant run-off; and weathering of the oil. It was concluded that the most important factors are the ability to determine mass balance, use proper controls, analytical methods and to avoid procedures that give incorrect results. 34 refs., 4 tabs., 1 fig

Correction of dispersion and the betatron functions in the CEBAF accelerator

International Nuclear Information System (INIS)

Lebedev, V.A.; Bickley, M.; Schaffner, S.; Zeijts, J. van; Krafft, G.A.; Watson, C.

1996-01-01

During the commissioning of the CEBAF accelerator, correction of dispersion and momentum compaction, and, to a lesser extent, transverse transfer matrices were essential for robust operation. With changing machine conditions, repeated correction was found necessary. To speed the diagnostic process the authors developed a method which allows one to rapidly track the machine optics. The method is based on measuring the propagation of 30 Hz modulated betatron oscillations downstream of a point of perturbation. Compared to the usual methods of dispersion or difference orbit measurement, synchronous detection of the beam displacement, as measured by beam position monitors, offers significantly improved speed and accuracy of the measurements. The beam optics of the accelerator was altered to decrease lattice sensitivity at critical points and to simplify control of the betatron function match. The calculation of the Courant-Snyder invariant from signals of each pair of nearby beam position monitors has allowed one to perform on-line measurement and correction of the lattice properties

Computer modelling of contaminant migration in natural disperse media

International Nuclear Information System (INIS)

Kundas, S.P.; Gishkelyuk, I.A.; Khil'ko, O.S.

2012-01-01

The theoretical foundations for modeling of the contaminants migration in natural disperses media taking into account interconnected heat and moisture transport are developed. The calculation of mass transfer parameters based on adsorption isotherms of water and thermodynamic equations in the developed mathematical models. The artificial neural networks use to predict migration of contaminants in natural disperse media is proposed. The developed software package is presented and results of practical application of models and software are discussed. (authors)

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

International Nuclear Information System (INIS)

Bettes, R.S.

1984-01-01

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

Mechanical dispersion in fractured crystalline rock systems

International Nuclear Information System (INIS)

Lafleur, D.W.; Raven, K.G.

1986-12-01

This report compiles and evaluates the hydrogeologic parameters describing the flow of groundwater and transport of solutes in fractured crystalline rocks. This report describes the processes of mechanical dispersion in fractured crystalline rocks, and compiles and evaluates the dispersion parameters determined from both laboratory and field tracer experiments. The compiled data show that extrapolation of the reliable test results performed over intermediate scales (10's of m and 10's to 100's of hours) to larger spatial and temporal scales required for performance assessment of a nuclear waste repository in crystalline rock is not justified. The reliable measures of longitudinal dispersivity of fractured crystalline rock are found to range between 0.4 and 7.8 m

Experimental and numerical study of light gas dispersion in a ventilated room

Energy Technology Data Exchange (ETDEWEB)

Gelain, Thomas, E-mail: thomas.gelain@irsn.fr; Prévost, Corinne

2015-11-15

Highlights: • Presentation of many experimental local data for different configurations. • Highlight of the influence of numerical parameters used in the CFD code. • Validation of the CFD code ANSYS CFX on the basis of experimental data. - Abstract: The objective of this study is to validate the ANSYS CFX version 12 computational code on the basis of light gas dispersion tests performed in two ventilated rooms. It follows an initial study on heavy gas dispersion carried out by Ricciardi et al. (2008). First, a study of sensitivity to various numerical parameters allows a set of reference data to be developed and the influence of the numerical scheme of advection to be revealed. Second, two helium (simulating hydrogen) dispersion test grids are simulated for the two rooms studied, and the results of the calculations are compared with experimental results. The very good agreement between these results allows the code and its dataset to be validated for this application. In future, a study with higher levels of helium (on the order of 4% vol at equilibrium) is envisaged in the context of safety analyses related to the hydrogen risk, these levels representing the lower explosive limit (LEL) of hydrogen.

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

Science.gov (United States)

Curutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob; Corni, Stefano; Frediani, Luca; Steindal, Arnfinn Hykkerud; Guido, Ciro A; Scalmani, Giovanni; Mennucci, Benedetta

2018-03-13

Mixed multiscale quantum/molecular mechanics (QM/MM) models are widely used to explore the structure, reactivity, and electronic properties of complex chemical systems. Whereas such models typically include electrostatics and potentially polarization in so-called electrostatic and polarizable embedding approaches, respectively, nonelectrostatic dispersion and repulsion interactions are instead commonly described through classical potentials despite their quantum mechanical origin. Here we present an extension of the Tkatchenko-Scheffler semiempirical van der Waals (vdW TS ) scheme aimed at describing dispersion and repulsion interactions between quantum and classical regions within a QM/MM polarizable embedding framework. Starting from the vdW TS expression, we define a dispersion and a repulsion term, both of them density-dependent and consistently based on a Lennard-Jones-like potential. We explore transferable atom type-based parametrization strategies for the MM parameters, based on either vdW TS calculations performed on isolated fragments or on a direct estimation of the parameters from atomic polarizabilities taken from a polarizable force field. We investigate the performance of the implementation by computing self-consistent interaction energies for the S22 benchmark set, designed to represent typical noncovalent interactions in biological systems, in both equilibrium and out-of-equilibrium geometries. Overall, our results suggest that the present implementation is a promising strategy to include dispersion and repulsion in multiscale QM/MM models incorporating their explicit dependence on the electronic density.

Inelastic Neutron Scattering Measurements of Phonon Dispersion Relations in Andalusite and Sillimanite, Al2SiO5

International Nuclear Information System (INIS)

Goel, P.

2001-01-01

This paper reports inelastic neutron scattering (INS) measurements of the phonon dispersion relations of the aluminum silicate minerals andalusite and sillimanite, Al 2 SiO 5 . The single crystal INS measurements were undertaken using the Triple-axis-spectrometer at the Dhruva reactor, Trombay for andalusite and at the Oak Ridge National Laboratory, USA for sillimanite. The phonon dispersion relations (upto 50 mev) along various high symmetry directions have been measured and have been analyzed on the basis of lattice dynamics shell model calculations. The calculated structure factors based on the model calculations were used as guides for planning these single crystal measurements and were used to identify regions in reciprocal space with large cross-sections. The calculated structure factors have been very useful in the planning, execution and analysis of the experimental data. The calculated phonon dispersion relations are found to be in good agreement with the measured data

Meteorological uncertainty of atmospheric dispersion model results (MUD)

International Nuclear Information System (INIS)

Havskov Soerensen, J.; Amstrup, B.; Feddersen, H.

2013-08-01

The MUD project addresses assessment of uncertainties of atmospheric dispersion model predictions, as well as possibilities for optimum presentation to decision makers. Previously, it has not been possible to estimate such uncertainties quantitatively, but merely to calculate the 'most likely' dispersion scenario. However, recent developments in numerical weather prediction (NWP) include probabilistic forecasting techniques, which can be utilised also for long-range atmospheric dispersion models. The ensemble statistical methods developed and applied to NWP models aim at describing the inherent uncertainties of the meteorological model results. These uncertainties stem from e.g. limits in meteorological observations used to initialise meteorological forecast series. By perturbing e.g. the initial state of an NWP model run in agreement with the available observational data, an ensemble of meteorological forecasts is produced from which uncertainties in the various meteorological parameters are estimated, e.g. probabilities for rain. Corresponding ensembles of atmospheric dispersion can now be computed from which uncertainties of predicted radionuclide concentration and deposition patterns can be derived. (Author)

Performance Analysis of a New Coded TH-CDMA Scheme in Dispersive Infrared Channel with Additive Gaussian Noise

Science.gov (United States)

Hamdi, Mazda; Kenari, Masoumeh Nasiri

2013-06-01

We consider a time-hopping based multiple access scheme introduced in [1] for communication over dispersive infrared links, and evaluate its performance for correlator and matched filter receivers. In the investigated time-hopping code division multiple access (TH-CDMA) method, the transmitter benefits a low rate convolutional encoder. In this method, the bit interval is divided into Nc chips and the output of the encoder along with a PN sequence assigned to the user determines the position of the chip in which the optical pulse is transmitted. We evaluate the multiple access performance of the system for correlation receiver considering background noise which is modeled as White Gaussian noise due to its large intensity. For the correlation receiver, the results show that for a fixed processing gain, at high transmit power, where the multiple access interference has the dominant effect, the performance improves by the coding gain. But at low transmit power, in which the increase of coding gain leads to the decrease of the chip time, and consequently, to more corruption due to the channel dispersion, there exists an optimum value for the coding gain. However, for the matched filter, the performance always improves by the coding gain. The results show that the matched filter receiver outperforms the correlation receiver in the considered cases. Our results show that, for the same bandwidth and bit rate, the proposed system excels other multiple access techniques, like conventional CDMA and time hopping scheme.

Performance of Carbon Nanotube/Polysulfone (CNT/Psf Composite Membranes during Oil–Water Mixture Separation: Effect of CNT Dispersion Method

Directory of Open Access Journals (Sweden)

Michael Olawale Daramola

2017-03-01

Full Text Available Effect of the dispersion method employed during the synthesis of carbon nanotube (CNT/polysulfone-infused composite membranes on the quality and separation performance of the membranes during oil–water mixture separation is demonstrated. Carbon nanotube/polysulfone composite membranes containing 5% CNT and pure polysulfone membrane (with 0% CNT were synthesized using phase inversion. Three CNT dispersion methods referred to as Method 1 (M1, Method 2 (M2, and Method 3 (M3 were used to disperse the CNTs. Morphology and surface property of the synthesized membranes were checked with scanning electron microscopy (SEM and Fourier-transform infrared (FTIR spectroscopy, respectively. Separation performance of the membranes was evaluated by applying the membrane to the separation of oil–water emulsion using a cross-flow filtration setup. The functional groups obtained from the FTIR spectra for the membranes and the CNTs included carboxylic acid groups (O–H and carbonyl group (C=O which are responsible for the hydrophilic properties of the membranes. The contact angles for the membranes obtained from Method 1, Method 2, and Method 3 were 76.6° ± 5.0°, 77.9° ± 1.3°, and 77.3° ± 4.5°, respectively, and 88.1° ± 2.1° was obtained for the pure polysulfone membrane. The oil rejection (OR for the synthesized composite membranes from Method 1, Method 2, and Method 3 were 48.71%, 65.86%, and 99.88%, respectively, indicating that Method 3 resulted in membrane of the best quality and separation performance.

Dispersion corrected hartree-fock and density functional theory for organic crystal structure prediction.

Science.gov (United States)

Brandenburg, Jan Gerit; Grimme, Stefan

2014-01-01

We present and evaluate dispersion corrected Hartree-Fock (HF) and Density Functional Theory (DFT) based quantum chemical methods for organic crystal structure prediction. The necessity of correcting for missing long-range electron correlation, also known as van der Waals (vdW) interaction, is pointed out and some methodological issues such as inclusion of three-body dispersion terms are discussed. One of the most efficient and widely used methods is the semi-classical dispersion correction D3. Its applicability for the calculation of sublimation energies is investigated for the benchmark set X23 consisting of 23 small organic crystals. For PBE-D3 the mean absolute deviation (MAD) is below the estimated experimental uncertainty of 1.3 kcal/mol. For two larger π-systems, the equilibrium crystal geometry is investigated and very good agreement with experimental data is found. Since these calculations are carried out with huge plane-wave basis sets they are rather time consuming and routinely applicable only to systems with less than about 200 atoms in the unit cell. Aiming at crystal structure prediction, which involves screening of many structures, a pre-sorting with faster methods is mandatory. Small, atom-centered basis sets can speed up the computation significantly but they suffer greatly from basis set errors. We present the recently developed geometrical counterpoise correction gCP. It is a fast semi-empirical method which corrects for most of the inter- and intramolecular basis set superposition error. For HF calculations with nearly minimal basis sets, we additionally correct for short-range basis incompleteness. We combine all three terms in the HF-3c denoted scheme which performs very well for the X23 sublimation energies with an MAD of only 1.5 kcal/mol, which is close to the huge basis set DFT-D3 result.

Comparative Study on Radiological Impact Due To Direct Exposure to a Radiological Dispersal Device Using A Sealed Radiation Source

International Nuclear Information System (INIS)

Margeanu, C.A.

2011-01-01

Nowadays, one of the most serious terrorist threats implies radiological dispersal devices (RDDs), the so-called dirty bombs, that combine a conventional explosive surrounded by an inflammatory material (like thermit) with radioactive material. The paper objective is to evaluate the radiological impact due to direct exposure to a RDD using a sealed radiation source (used for medical and industrial applications) as radioactive material. The simulations were performed for 60Co, 137Cs and 192Ir radiation sources. In order to model the contamination potential level and radiation exposure due to radioactive material spreading from RDD, Lawrence Livermore National Laboratory's HOTSPOT 2.07 computer code was used. The worst case scenario has been considered, calculations being performed for two radioactive material dispersion models, namely General radioactive Plume and General Explosion. Following parameters evolution with distance from the radiation source was investigated: total effective dose equivalent, time-integrated air concentration, ground surface deposition and ground shine dose rates. Comparisons between considered radiation sources and radioactive material dispersion models have been performed. The most drastic effects on population and the environment characterize 60Co sealed radiation source use in RDD.

A novel method for combating dispersion induced power fading in dispersion compensating fiber

DEFF Research Database (Denmark)

Lebedev, Alexander; Vegas Olmos, Juan José; Iglesias Olmedo, Miguel

2013-01-01

We experimentally investigate the performance of 60 GHz double sideband (DSB) radio over fiber (RoF) links that employ dispersion compensating fiber (DCF). Error free transmission of 3 Gbps signals over 1 m of wireless distance is reported. In order to overcome experimentally observed chromatic...... dispersion (CD) induced power fading of radio frequency (RF) signal, we propose a method for improvement of RF carrier-to-noise (C/N) ratio through introduction of a degree of RF frequency tunability. Overall results improve important aspects of directly modulated RoF systems and demonstrate the feasibility...

Juvenile Dispersal of Harpy Eagles (Harpia harpyja) in Ecuador

OpenAIRE

Urios, Vicente; Muñiz López, Ruth; Vidal-Mateo, Javier

2017-01-01

The movement ecology of Harpy Eagles (Harpia harpyja) is poorly known due to the difficulty observing this species. We studied the movements of two juvenile Harpy Eagles before and during dispersal using GPS satellite telemetry in the Reserva de Producción Faunística Cuyabeno, Ecuador. Both eagles were tagged at their respective nest tree. For each eagle, we calculated the daily distance moved and the distance from each recorded position to the nest. One eagle started dispersal during its 28t...

Meteorological Uncertainty of atmospheric Dispersion model results (MUD)

DEFF Research Database (Denmark)

Havskov Sørensen, Jens; Amstrup, Bjarne; Feddersen, Henrik

The MUD project addresses assessment of uncertainties of atmospheric dispersion model predictions, as well as possibilities for optimum presentation to decision makers. Previously, it has not been possible to estimate such uncertainties quantitatively, but merely to calculate the ‘most likely’ di...

Improved performance of U-Mo dispersion fuel by Si addition in Al matrix.

Energy Technology Data Exchange (ETDEWEB)

Kim, Y S; Hofman, G L [Nuclear Engineering Division

2011-06-01

The purpose of this report is to collect in one publication and fit together work fragments presented in many conferences in the multi-year time span starting 2002 to the present dealing with the problem of large pore formation in U-Mo/Al dispersion fuel plates first observed in 2002. Hence, this report summarizes the excerpts from papers and reports on how we interpreted the relevant results from out-of-pile and in-pile tests and how this problem was dealt with. This report also provides a refined view to explain in detail and in a quantitative manner the underlying mechanism of the role of silicon in improving the irradiation performance of U-Mo/Al.

Influence of vertical dispersion and crossing angle on the performance of the LHC

CERN Document Server

Leunissen, L H A

1999-01-01

Misalignments, magnetic field deviations and the beam crossing angle induce closed orbit deviations and residual dispersions at the interaction points (IPs) of the LHC. At IP1 and IP5, the horizontal and vertical dispersion functions are approximately ±2 cm while at IP2 and IP8 they can reach values up to 50 cm. A numerical study of the excitation of synchro-betatron resonances by crossing angles and dispersions shows that the beam size changes by less than 5% and has corresponding effects on the luminosity. Since the effects of bunch length are important in this context we have used the numerical code BBC for the study. When the betatron tunes are close to a synchro-betatron resonance excited by the crossing angle the amplitude of particle oscillations increases. The superposition of vertical dispersion modifies the strength of the resonance. For example, sidebands of the resonance 13Qx = 4 yield an increase of the amplitude of the betatron oscillation by less than 10 % at an initial amplitude of 5s. Includ...

Simultaneous determination of phenolic compounds in Equisetum palustre L. by ultra high performance liquid chromatography with tandem mass spectrometry combined with matrix solid-phase dispersion extraction.

Science.gov (United States)

Wei, Zuofu; Pan, Youzhi; Li, Lu; Huang, Yuyang; Qi, Xiaolin; Luo, Meng; Zu, Yuangang; Fu, Yujie

2014-11-01

A method based on matrix solid-phase dispersion extraction followed by ultra high performance liquid chromatography with tandem mass spectrometry is presented for the extraction and determination of phenolic compounds in Equisetum palustre. This method combines the high efficiency of matrix solid-phase dispersion extraction and the rapidity, sensitivity, and accuracy of ultra high performance liquid chromatography with tandem mass spectrometry. The influential parameters of the matrix solid-phase dispersion extraction were investigated and optimized. The optimized conditions were as follows: silica gel was selected as dispersing sorbent, the ratio of silica gel to sample was selected to be 2:1 (400/200 mg), and 8 mL of 80% methanol was used as elution solvent. Furthermore, a fast and sensitive ultra high performance liquid chromatography with tandem mass spectrometry method was developed for the determination of nine phenolic compounds in E. palustre. This method was carried out within <6 min, and exhibited satisfactory linearity, precision, and recovery. Compared with ultrasound-assisted extraction, the proposed matrix solid-phase dispersion procedure possessed higher extraction efficiency, and was more convenient and time saving with reduced requirements on sample and solvent amounts. All these results suggest that the developed method represents an excellent alternative for the extraction and determination of active components in plant matrices. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of M3C code for Monte Carlo reactor physics criticality calculations

International Nuclear Information System (INIS)

Kumar, Anek; Kannan, Umasankari; Krishanani, P.D.

2015-06-01

The development of Monte Carlo code (M3C) for reactor design entails use of continuous energy nuclear data and Monte Carlo simulations for each of the neutron interaction processes. BARC has started a concentrated effort for developing a new general geometry continuous energy Monte Carlo code for reactor physics calculation indigenously. The code development required a comprehensive understanding of the basic continuous energy cross section sets. The important features of this code are treatment of heterogeneous lattices by general geometry, use of point cross sections along with unionized energy grid approach, thermal scattering model for low energy treatment, capability of handling the microscopic fuel particles dispersed randomly. The capability of handling the randomly dispersed microscopic fuel particles which is very useful for the modeling of High-Temperature Gas-Cooled reactor fuels which are composed of thousands of microscopic fuel particle (TRISO fuel particle), randomly dispersed in a graphite matrix. The Monte Carlo code for criticality calculation is a pioneering effort and has been used to study several types of lattices including cluster geometries. The code has been verified for its accuracy against more than 60 sample problems covering a wide range from simple (like spherical) to complex geometry (like PHWR lattice). Benchmark results show that the code performs quite well for the criticality calculation of the system. In this report, the current status of the code, features of the code, some of the benchmark results for the testing of the code and input preparation etc. are discussed. (author)

Calculation of particulate dispersion in a design-basis tornadic storm from Westinghouse PFDL, Cheswick, Pennsylvania

International Nuclear Information System (INIS)

Pepper, D.W.

1978-07-01

A three-dimensional numerical model is used to calculate ground-level air concentration and deposition (due to precipitation scavenging) after a hypothetical tornado strike at the Westinghouse Plutonium Fuel Development Laboratory (PFDL) at Cheswick, Pennsylvania. Plutonium particles less than 20 μm in diameter are assumed to be lifted into the tornadic storm cell by the vortex. The rotational characteristics of the tornadic storm are embedded within the larger mesoscale flow of the storm system. The design-basis translational wind values are based on probabilities associated with existing records of tornado strikes in the vicinity of the plant site. Turbulence exchange coefficients are based on empirical values deduced from experimental data in severe storms and from theoretical assumptions obtained from the literature. The method of moments is used to incorporate subgrid-scale resolution of the concentration within a grid cell volume. This method is a quasi-Lagrangian scheme which minimizes numerical error associated with advection. In all case studies, the effects of updrafts and downdrafts, coupled with scavenging of the particulates by precipitation, account for most of the material being deposited within 20-45 km downwind of the plant site. Ground-level isopleths in the x-y plane show that most of the material is deposited behind and slightly to the left of the centerline trajectory of the storm. Approximately 5% of the material is dispersed into the stratosphere and anvil section of the storm

Dispersion and betatron function correction in the Advanced Photon Source storage ring using singular value decomposition

International Nuclear Information System (INIS)

Emery, L.

1999-01-01

Magnet errors and off-center orbits through sextuples perturb the dispersion and beta functions in a storage ring (SR), which affects machine performance. In a large ring such as the Advanced Photon Source (APS), the magnet errors are difficult to determine with beam-based methods. Also the non-zero orbit through sextuples result from user requests for steering at light source points. For expediency, a singular value decomposition (SVD) matrix method analogous to orbit correction was adopted to make global corrections to these functions using strengths of several quadrupoles as correcting elements. The direct response matrix is calculated from the model of the perfect lattice. The inverse is calculated by SVD with a selected number of singular vectors. Resulting improvement in the lattice functions and machine performance will be presented

Technical summary of the Performance Assessment Calculational Exercises for 1990 (PACE-90)

International Nuclear Information System (INIS)

Barnard, R.W.; Dockery, H.A.

1991-06-01

A Performance Assessment Calculational Exercise for 1990 (PACE-90) was coordinated by the Yucca Mountain Site Characterization Project Office for a total-system performance-assessment problem. The primary objectives of the exercise were to develop performance-assessment computational capabilities of the Yucca Mountain Project participates and to aid in identifying critical elements and processes associated with the calculation. The problem defined for PACE-90 was simulation of a ''nominal case'' groundwater flow and transport of a selected group of radionuclides through a portion of Yucca Mountain. Both 1-D and 2-D calculations were run for a modeling period of 100,000 years. The nuclides used, 99 Tc, 135 Cs, 129 I, and 237 Np, were representative of ''classes'' of long-lived nuclides expected to be present in the waste inventory. Movement of the radionuclides was simulated through a detailed hydrostratigraphy developed from Yucca Mountain data specifically for this exercise. The results showed that, for the specified conditions with the conceptual models used in the problem, no radioactive contamination reached the water table, 230 m below the repository. However, due to the unavailability of sufficient site-specific data, the results of this exercise cannot be considered a comprehensive total-system- performance assessment of the Yucca Mountain site as a high-level- waste repository. 46 refs., 94 figs., 19 tabs

Photonic Band Structure of Dispersive Metamaterials Formulated as a Hermitian Eigenvalue Problem

KAUST Repository

Raman, Aaswath

2010-02-26

We formulate the photonic band structure calculation of any lossless dispersive photonic crystal and optical metamaterial as a Hermitian eigenvalue problem. We further show that the eigenmodes of such lossless systems provide an orthonormal basis, which can be used to rigorously describe the behavior of lossy dispersive systems in general. © 2010 The American Physical Society.

Photonic Band Structure of Dispersive Metamaterials Formulated as a Hermitian Eigenvalue Problem

KAUST Repository

Raman, Aaswath; Fan, Shanhui

2010-01-01

We formulate the photonic band structure calculation of any lossless dispersive photonic crystal and optical metamaterial as a Hermitian eigenvalue problem. We further show that the eigenmodes of such lossless systems provide an orthonormal basis, which can be used to rigorously describe the behavior of lossy dispersive systems in general. © 2010 The American Physical Society.

Faraday anomalous dispersion optical tuners

Science.gov (United States)

Wanninger, P.; Valdez, E. C.; Shay, T. M.

1992-01-01

Common methods for frequency stabilizing diode lasers systems employ gratings, etalons, optical electric double feedback, atomic resonance, and a Faraday cell with low magnetic field. Our method, the Faraday Anomalous Dispersion Optical Transmitter (FADOT) laser locking, is much simpler than other schemes. The FADOT uses commercial laser diodes with no antireflection coatings, an atomic Faraday cell with a single polarizer, and an output coupler to form a compound cavity. This method is vibration insensitive, thermal expansion effects are minimal, and the system has a frequency pull in range of 443.2 GHz (9A). Our technique is based on the Faraday anomalous dispersion optical filter. This method has potential applications in optical communication, remote sensing, and pumping laser excited optical filters. We present the first theoretical model for the FADOT and compare the calculations to our experimental results.

Development of a code to simulate dispersion of atmospheric released tritium gas in the environmental media and to evaluate doses. TRIDOSE

Energy Technology Data Exchange (ETDEWEB)

Murata, Mikio [Nuclear Engineering Co., Ltd., Hitachi, Ibaraki (Japan); Noguchi, Hiroshi; Yokoyama, Sumi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

2000-11-01

A computer code (TRIDOSE) was developed to assess the environmental impact of atmospheric released tritium gas (T{sub 2}) from nuclear fusion related facilities. The TRIDOSE simulates dispersion of T{sub 2} and resultant HTO in the atmosphere, land, plant, water and foods in the environment, and evaluates contamination concentrations in the media and exposure doses. A part of the mathematical models in TRIDOSE were verified by comparison of the calculation with the results of the short range (400 m) dispersion experiment of HT gas performed in Canada postulating a short-time (30 minutes) accidental release. (author)

Neutronic, thermal-hydraulics and safety calculations of a Miniplate Irradiation Device (MID) of dispersion type fuel elements; Calculos neutronicos, termo-hidraulicos e de seguranca de um dispositivo para Irradiacao de miniplacas (DIM) de elementos combustiveis tipo dispersao

Energy Technology Data Exchange (ETDEWEB)

Domingos, Douglas Borges

2010-07-01

Neutronic, thermal-hydraulics and accident analysis calculations were developed to estimate the safety of a Miniplate Irradiation Device (MID) to be placed in the IEA-R1 reactor core. The irradiation device is used to receive miniplates of U{sub 3}O{sub 8}-Al and U{sub 3}Si{sub 2}- Al dispersion fuels, LEU type (19.75 % {sup 235}U) with uranium densities of, respectively, 3.2 gU/cm{sup 3} and 4.8 gU/cm{sup 3}. The fuel miniplates will be irradiated to nominal {sup 235}U burnup levels of 50% and 80%, in order to qualify the above high-density dispersion fuels to be used in the Brazilian Multipurpose Reactor (RMB), now in the conception phase. For the neutronic calculation, the computer codes CITATION and 2DB were utilized. The computer code FLOW was used to calculate the coolant flow rate in the irradiation device, allowing the determination of the fuel miniplate temperatures with the computer model MTRCR-IEA-R1. A postulated Loss of Coolant Accident (LOCA) was analyzed with the computer codes LOSS and TEMPLOCA, allowing the calculation of the fuel miniplate temperatures after the reactor pool draining. The calculations showed that the irradiation should occur without adverse consequences in the IEA-R1 reactor. (author)

Pigment dispersion and Artisan phakic intraocular lenses: crystalline lens rise as a safety criterion.

Science.gov (United States)

Baïkoff, Georges; Bourgeon, Grégoire; Jodai, Horacio Jitsuo; Fontaine, Aline; Lellis, Fernando Viera; Trinquet, Laure

2005-04-01

To validate the theory that crystalline lens rise can be used as a safety criterion to prevent pigment dispersion in eyes with an Artisan phakic intraocular lens (IOL) (Ophtec BV). Monticelli Clinic, Marseilles, France. A comparative analysis of crystalline lens rise in 9 eyes with pigment dispersion and 78 eyes without dispersion was performed. All eyes had previous implantation of an Artisan IOL. Anterior segment imaging was done using an anterior chamber optical coherence tomography (AC OCT) prototype. Crystalline lens rise was defined by the distance between the anterior pole of the crystalline lens and the horizontal plane joining the opposite iridocorneal recesses. The study confirmed that crystalline lens rise can be considered a safety criterion for implantation of Artisan-type phakic IOLs. The higher the crystalline lens rise, the greater the risk for developing pigment dispersion in the area of the pupil. This complication occurred more frequently in hyperopic eyes than in myopic eyes. Results indicate there is little or no risk for pigment dispersion if the rise is less than 600 microm; 67% of eyes with a rise of 600 microm or more developed pupillary pigment dispersion. In some cases in which the IOL was loosely fixated, there was no traction on the iris root and dispersion was prevented or delayed. Crystalline lens rise should be considered a new safety criterion for Artisan phakic IOL implantation and should also be applied to other types of phakic IOLs. The distance remaining between the crystalline lens rise and a 600 microm theoretical safety level allows one to calculate how long the IOL can safely remain in the eye.

Operational mesoscale atmospheric dispersion prediction using high performance parallel computing cluster for emergency response

International Nuclear Information System (INIS)

Srinivas, C.V.; Venkatesan, R.; Muralidharan, N.V.; Das, Someshwar; Dass, Hari; Eswara Kumar, P.

2005-08-01

An operational atmospheric dispersion prediction system is implemented on a cluster super computer for 'Online Emergency Response' for Kalpakkam nuclear site. The numerical system constitutes a parallel version of a nested grid meso-scale meteorological model MM5 coupled to a random walk particle dispersion model FLEXPART. The system provides 48 hour forecast of the local weather and radioactive plume dispersion due to hypothetical air borne releases in a range of 100 km around the site. The parallel code was implemented on different cluster configurations like distributed and shared memory systems. Results of MM5 run time performance for 1-day prediction are reported on all the machines available for testing. A reduction of 5 times in runtime is achieved using 9 dual Xeon nodes (18 physical/36 logical processors) compared to a single node sequential run. Based on the above run time results a cluster computer facility with 9-node Dual Xeon is commissioned at IGCAR for model operation. The run time of a triple nested domain MM5 is about 4 h for 24 h forecast. The system has been operated continuously for a few months and results were ported on the IMSc home page. Initial and periodic boundary condition data for MM5 are provided by NCMRWF, New Delhi. An alternative source is found to be NCEP, USA. These two sources provide the input data to the operational models at different spatial and temporal resolutions and using different assimilation methods. A comparative study on the results of forecast is presented using these two data sources for present operational use. Slight improvement is noticed in rainfall, winds, geopotential heights and the vertical atmospheric structure while using NCEP data probably because of its high spatial and temporal resolution. (author)

First-principles calculations of mobility

Science.gov (United States)

Krishnaswamy, Karthik

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

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

Energy Technology Data Exchange (ETDEWEB)

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

1982-01-01

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

Mass dispersions in a time-dependent mean-field approach

International Nuclear Information System (INIS)

Balian, R.; Bonche, P.; Flocard, H.; Veneroni, M.

1984-05-01

Characteristic functions for single-particle (s.p.) observables are evaluated by means of a time-dependent variational principle, which involves a state and an observable as conjugate variables. This provides a mean-field expression for fluctuations of s.p. observables, such as mass dispersions. The result differs from TDHF, it requires only the use of existing codes, and it presents attractive theoretical features. First numerical tests are encouraging. In particular, a calculation for 16 O + 16 O provides a significant increase of the predicted mass dispersion

Long anterior zonules and pigment dispersion.

Science.gov (United States)

Moroi, Sayoko E; Lark, Kurt K; Sieving, Paul A; Nouri-Mahdavi, Kouros; Schlötzer-Schrehardt, Ursula; Katz, Gregory J; Ritch, Robert

2003-12-01

To describe pigment dispersion associated with long anterior zonules. Multicenter observational case series. Fifteen patients, seven of whom were treated for glaucoma or ocular hypertension, were identified with long anterior zonules and pigment dispersion. Transmission electron microscopy was performed on one anterior capsule specimen. All patients had anterior zonules that inserted centrally on the lens capsule. Signs of pigment dispersion included corneal endothelial pigmentation, loss of the pupillary ruff, and variable trabecular meshwork pigmentation. Ultrasound biomicroscopy verified the lack of posterior iris insertion and concavity. There was no exfoliation material. Transmission electron microscopy showed zonular lamellae with adherent pigment granules, and no exfoliation material. Long anterior zonules inserted onto the central lens capsule may cause mechanical disruption of the pigment epithelium at the pupillary ruff and central iris leading to pigment dispersion.

Experimental research on dispersion parameters of ground water around the area of CIAE

International Nuclear Information System (INIS)

Yu Jun

1993-01-01

The dispersion are important parameters in modeling the migration of pollutant in the ground water. Due to the complexity of geological media, variant dispersion is expected according to the difference of the geological media. Three parts are included in physical simulation in the laboratory column, tracer experiment in the field and the prediction of dispersion using the stochastic model. Experimental results show that the dispersion obtained in the column are three orders of magnitude smaller than that obtained in the field. Using the field values of conductivity and stochastic theory, the calculated asymptotic longitudinal and lateral dispersion are 370 and 0.45 meters respectively and the correlation length is 400 meters approximately. Using the dispersion obtained from the formula in the paper can enhance the precision of the model prediction, the distance heeded to reach the Fick's dispersion is 6 km approximately

ENDIX. A computer program to simulate energy dispersive X-ray and synchrotron powder diffraction diagrams

International Nuclear Information System (INIS)

Hovestreydt, E.; Karlsruhe Univ.; Parthe, E.; Benedict, U.

1987-01-01

A Fortran 77 computer program is described which allows the simulation of energy dispersive X-ray and synchrotron powder diffraction diagrams. The input consists of structural data (space group, unit cell dimensions, atomic positional and displacement parameters) and information on the experimental conditions (chosen Bragg angle, type of X-ray tube and applied voltage or operating power of synchrotron radiation source). The output consists of the normalized intensities of the diffraction lines, listed by increasing energy (in keV), and of an optional intensity-energy plot. The intensities are calculated with due consideration of the wave-length dependence of both the anomalous dispersion and the absorption coefficients. For a better agreement between observed and calculated spectra provision is made to optionally superimpose, on the calculated diffraction line spectrum, all additional lines such as fluorescence and emission lines and escape peaks. The different effects which have been considered in the simulation are discussed in some detail. A sample calculation of the energy dispersive powder diffraction pattern of UPt 3 (Ni 3 Sn structure type) is given. Warning: the user of ENDIX should be aware that for a successful application it is necessary to adapt the program to correspond to the actual experimental conditions. Even then, due to the only approximately known values of certain functions, the agreement between observed and calculated intensities will not be as good as for angle dispersive diffraction methods

Modeling skull's acoustic attenuation and dispersion on photoacoustic signal

Science.gov (United States)

Mohammadi, L.; Behnam, H.; Nasiriavanaki, M. R.

2017-03-01

Despite the great promising results of a recent new transcranial photoacoustic brain imaging technology, it has been shown that the presence of the skull severely affects the performance of this imaging modality. In this paper, we investigate the effect of skull on generated photoacoustic signals with a mathematical model. The developed model takes into account the frequency dependence attenuation and acoustic dispersion effects occur with the wave reflection and refraction at the skull surface. Numerical simulations based on the developed model are performed for calculating the propagation of photoacoustic waves through the skull. From the simulation results, it was found that the skull-induced distortion becomes very important and the reconstructed image would be strongly distorted without correcting these effects. In this regard, it is anticipated that an accurate quantification and modeling of the skull transmission effects would ultimately allow for skull aberration correction in transcranial photoacoustic brain imaging.

Reference moderator calculated performance for the LANSCE upgrade project

International Nuclear Information System (INIS)

Ferguson, P.D.; Russell, G.J.; Pitcher, E.J.

1995-01-01

The authors have calculated the performance of five moderators of interest to the LANSCE upgrade project. Coupled and decoupled light water and liquid hydrogen moderators in flux-trap geometry surrounded by a neutronically infinite heavy-water cooled beryllium reflector have been studied. Time and energy spectra, as well as semi-empirical fits to the data, are presented. The data has been made available to aid the instrument design and moderator selection process

The effect of an interactive e-drug calculations package on nursing students' drug calculation ability and self-efficacy.

Science.gov (United States)

McMullan, Miriam; Jones, Ray; Lea, Susan

2011-06-01

Nurses need to be competent and confident in performing drug calculations to ensure patient safety. The purpose of this study is to compare an interactive e-drug calculations package, developed using Cognitive Load Theory as its theoretical framework, with traditional handout learning support on nursing students' drug calculation ability, self-efficacy and support material satisfaction. A cluster randomised controlled trial comparing the e-package with traditional handout learning support was conducted with a September cohort (n=137) and a February cohort (n=92) of second year diploma nursing students. Students from each cohort were geographically dispersed over 3 or 4 independent sites. Students from each cohort were invited to participate, halfway through their second year, before and after a 12 week clinical practice placement. During their placement the intervention group received the e-drug calculations package while the control group received traditional 'handout' support material. Drug calculation ability and self-efficacy tests were given to the participants pre- and post-intervention. Participants were given the support material satisfaction scale post-intervention. Students in both cohorts randomised to e-learning were more able to perform drug calculations than those receiving the handout (September: mean 48.4% versus 34.7%, p=0.027; February: mean 47.6% versus 38.3%, p=0.024). February cohort students using the e-package were more confident in performing drug calculations than those students using handouts (self-efficacy mean 56.7% versus 45.8%, p=0.022). There was no difference in improved self-efficacy between intervention and control for students in the September cohort. Students who used the package were more satisfied with its use than the students who used the handout (mean 29.6 versus 26.5, p=0.001), particularly with regard to the package enhancing their learning (p=0.023), being an effective way to learn (p=0.005), providing practice and

Larval fish dispersal in a coral-reef seascape

KAUST Repository

Almany, Glenn R.; Planes, Serge; Thorrold, Simon R.; Berumen, Michael L.; Bode, Michael; Saenz Agudelo, Pablo; Bonin, Mary C.; Frisch, Ashley J.; Harrison, Hugo B.; Messmer, Vanessa; Nanninga, Gerrit B.; Priest, Mark; Srinivasan, Maya; Sinclair-Taylor, Tane; Williamson, David H.; Jones, Geoffrey P.

2017-01-01

Larval dispersal is a critical yet enigmatic process in the persistence and productivity of marine metapopulations. Empirical data on larval dispersal remain scarce, hindering the use of spatial management tools in efforts to sustain ocean biodiversity and fisheries. Here we document dispersal among subpopulations of clownfish (Amphiprion percula) and butterflyfish (Chaetodon vagabundus) from eight sites across a large seascape (10,000 km2) in Papua New Guinea across 2 years. Dispersal of clownfish was consistent between years, with mean observed dispersal distances of 15 km and 10 km in 2009 and 2011, respectively. A Laplacian statistical distribution (the dispersal kernel) predicted a mean dispersal distance of 13–19 km, with 90% of settlement occurring within 31–43 km. Mean dispersal distances were considerably greater (43–64 km) for butterflyfish, with kernels declining only gradually from spawning locations. We demonstrate that dispersal can be measured on spatial scales sufficient to inform the design of and test the performance of marine reserve networks.

Larval fish dispersal in a coral-reef seascape

KAUST Repository

Almany, Glenn R.

2017-05-23

Larval dispersal is a critical yet enigmatic process in the persistence and productivity of marine metapopulations. Empirical data on larval dispersal remain scarce, hindering the use of spatial management tools in efforts to sustain ocean biodiversity and fisheries. Here we document dispersal among subpopulations of clownfish (Amphiprion percula) and butterflyfish (Chaetodon vagabundus) from eight sites across a large seascape (10,000 km2) in Papua New Guinea across 2 years. Dispersal of clownfish was consistent between years, with mean observed dispersal distances of 15 km and 10 km in 2009 and 2011, respectively. A Laplacian statistical distribution (the dispersal kernel) predicted a mean dispersal distance of 13–19 km, with 90% of settlement occurring within 31–43 km. Mean dispersal distances were considerably greater (43–64 km) for butterflyfish, with kernels declining only gradually from spawning locations. We demonstrate that dispersal can be measured on spatial scales sufficient to inform the design of and test the performance of marine reserve networks.

Calculation study of the WWER-440 fuel performance for extended burnup

International Nuclear Information System (INIS)

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

1984-01-01

The results of preliminary calculational study of extended burnup cycling schemes impact on WWER-440 fuel performance are presented. Two high burnup schemes were proposed with three and four cycles, resp. Comparison was made with three cycle reference case. The thermal mechanical analysis was performed with PIN and RELA codes. The values of rod internal pressure, fuel centerline temperatures and fuel-cladding gap are expressed as function of power history. (author)

Mirage, a food chain transfer and dosimetric impact code in relation with atmospheric and liquid dispersion codes

International Nuclear Information System (INIS)

Van Dorpe, F.; Jourdain, F.

2006-01-01

Full text: The numerical code M.I.R.A.G.E. (Module of Radiological impact calculations on the Environment due to accidental or chronic nuclear releases through Aqueous and Gas media) has been developed to simulate the radionuclides transfer in the biosphere and food chains, as well as the dosimetric impact on man, after accidental or chronic releases in the environment by nuclear installations. The originality of M.I.R.A.G.E. is to propose a single tool chained downstream with various atmospheric and liquid dispersion codes. The code M.I.R.A.G.E. is a series of modules which makes it possible to carry out evaluations on the transfers in food chains and human dose impact. Currently, M.I.R.A.G.E. is chained with a Gaussian atmospheric dispersion code H.A.R.M.A.T.T.A.N. (Cea), a 3 D atmospheric dispersion code with Lagrangian model named M.I.N.E.R.V.E.-S.P.R.A.Y. (Aria Technology) and a 3 D groundwater transfer code named M.A.R.T.H.E. (B.R.G.M.). M.I.R.A.G.E. uses concentration or activity result files as initial data input for its calculations. The application initially calculates the concentrations in the various compartments of the environment (soils, plants, animals). The results are given in the shape of concentration and dose maps and also on a particular place called a reference group for dosimetric impact (like a village or a specific population group located around a nuclear installation). The input and output data of M.I.R.A.G.E. can have geographic coordinates and thus readable by a G.I.S. M.I.R.A.G. E.is an opened system with which it is easy to chain other codes of dispersion that those currently used. The calculations uncoupled with dispersion calculations are also possible by manual seizure of the dispersion data (contamination of a tablecloth, particular value in a point, etc.). M.I.R.A.G.E. takes into account soil deposits and resuspension phenomenon, transfers in plants and animals (choice of agricultural parameters, types of plants and animals, etc

Calculations of the self-amplified spontaneous emission performance of a free-electron laser

International Nuclear Information System (INIS)

Dejus, R. J.

1999-01-01

The linear integral equation based computer code (RON: Roger Oleg Nikolai), which was recently developed at Argonne National Laboratory, was used to calculate the self-amplified spontaneous emission (SASE) performance of the free-electron laser (FEL) being built at Argonne. Signal growth calculations under different conditions are used for estimating tolerances of actual design parameters. The radiation characteristics are discussed, and calculations using an ideal undulator magnetic field and a real measured magnetic field will be compared and discussed

Dispersion Modeling Using Ensemble Forecasts Compared to ETEX Measurements.

Science.gov (United States)

Straume, Anne Grete; N'dri Koffi, Ernest; Nodop, Katrin

1998-11-01

Numerous numerical models are developed to predict long-range transport of hazardous air pollution in connection with accidental releases. When evaluating and improving such a model, it is important to detect uncertainties connected to the meteorological input data. A Lagrangian dispersion model, the Severe Nuclear Accident Program, is used here to investigate the effect of errors in the meteorological input data due to analysis error. An ensemble forecast, produced at the European Centre for Medium-Range Weather Forecasts, is then used as model input. The ensemble forecast members are generated by perturbing the initial meteorological fields of the weather forecast. The perturbations are calculated from singular vectors meant to represent possible forecast developments generated by instabilities in the atmospheric flow during the early part of the forecast. The instabilities are generated by errors in the analyzed fields. Puff predictions from the dispersion model, using ensemble forecast input, are compared, and a large spread in the predicted puff evolutions is found. This shows that the quality of the meteorological input data is important for the success of the dispersion model. In order to evaluate the dispersion model, the calculations are compared with measurements from the European Tracer Experiment. The model manages to predict the measured puff evolution concerning shape and time of arrival to a fairly high extent, up to 60 h after the start of the release. The modeled puff is still too narrow in the advection direction.

Calculation of electrodynamical characteristics and choice of accelerating structure for storage ring

International Nuclear Information System (INIS)

Karnaukhov, I.M.; Popkov, Yu.P.; Telegin, Yu.N.; Trushkin, N.A.; Dajkovskij, A.G.; Zakamskaya, L.T.; Ryabov, A.D.

1989-01-01

Comparative analysis of several types of accelerating structures at standing E 010 wave is conducted on the basis of numerical calculations performed with the use of the PRUD-0 and PRUD programs. Dispersion dependences of electromagnetic field distribution, quality and coupling impedance are calculated both for axially symmetric and axially asymmetric modes of oscillations in structures with 699.3 MHz operating frequency. It is shown that structure with a cell the form of which is optimized with respect to shunt resistance on the main mode possesses the numerical spurious impedance in higher modes. This is the main factor when choosing accelerating structure for storage ring with multi-bunch operation conditions. 12 refs.; 3 figs.; 3 tabs

DART model for irradiation-induced swelling of dispersion fuel elements including aluminum-fuel interaction

International Nuclear Information System (INIS)

Rest, J.; Hofman, G.L.

1997-01-01

The Dispersion Analysis Research Tool (DART) contains models for fission-gas-induced fuel swelling, interaction of fuel with the matrix aluminum, for the resultant reaction-product swelling, and for the calculation of the stress gradient within the fuel particle. The effects of an aluminide shell on fuel particle swelling are evaluated. Validation of the model is demonstrated by a comparison of DART calculations of fuel swelling of U 3 SiAl-Al and U 3 Si 2 -Al for various dispersion fuel element designs with the data

Dispersion fuel for nuclear research facilities

International Nuclear Information System (INIS)

Kushtym, A.V.; Belash, M.M.; Zigunov, V.V.; Slabospitska, O.O.; Zuyok, V.A.

2017-01-01

Designs and process flow sheets for production of nuclear fuel rod elements and assemblies TVS-XD with dispersion composition UO_2+Al are presented. The results of fuel rod thermal calculation applied to Kharkiv subcritical assembly and Kyiv research reactor VVR-M, comparative characteristics of these fuel elements, the results of metallographic analyses and corrosion tests of fuel pellets are given in this paper

Meteorological uncertainty of atmospheric dispersion model results (MUD)

Energy Technology Data Exchange (ETDEWEB)

Havskov Soerensen, J.; Amstrup, B.; Feddersen, H. [Danish Meteorological Institute, Copenhagen (Denmark)] [and others

2013-08-15

The MUD project addresses assessment of uncertainties of atmospheric dispersion model predictions, as well as possibilities for optimum presentation to decision makers. Previously, it has not been possible to estimate such uncertainties quantitatively, but merely to calculate the 'most likely' dispersion scenario. However, recent developments in numerical weather prediction (NWP) include probabilistic forecasting techniques, which can be utilised also for long-range atmospheric dispersion models. The ensemble statistical methods developed and applied to NWP models aim at describing the inherent uncertainties of the meteorological model results. These uncertainties stem from e.g. limits in meteorological observations used to initialise meteorological forecast series. By perturbing e.g. the initial state of an NWP model run in agreement with the available observational data, an ensemble of meteorological forecasts is produced from which uncertainties in the various meteorological parameters are estimated, e.g. probabilities for rain. Corresponding ensembles of atmospheric dispersion can now be computed from which uncertainties of predicted radionuclide concentration and deposition patterns can be derived. (Author)

Emission, Dispersion, Transformation, and Deposition of Asian Particulates Over the Western Pacific Ocean. Part II

International Nuclear Information System (INIS)

Turco, Richard P.

2005-01-01

In this project we developed and applied a coupled three-dimensional meteorology/chemistry/microphysics model to study the patterns of aerosol dispersion and deposition in the western Pacific area; carried out a series of detailed regional aerosol simulations to test the ability of models to treat emission, dispersion and removal processes prior to long-range transport; calculated and analyzed trajectories that originate in Asian dust source regions and reach the Pacific Basin; performed detailed simulations of regional and trans-Pacific transport, as well as the microphysical and chemical properties, of aerosols in the Asia-Pacific region to quantify processes that control the emission, dispersion and removal of particles; and assessed the contributions of regional-scale Asian particulate sources to the deposition of pollutants onto surface waters. The transport and deposition of aerosols and vapors were found to be strongly controlled by large and synoptic scale meteorology, convection, turbulence, and precipitation, as well as strong interactions between surface conditions and topographical features. The present analysis suggests that accurate representations of aerosol sources, transport and deposition can be obtained using a comprehensive modeling approach

Surface regulated arsenenes as Dirac materials: From density functional calculations

International Nuclear Information System (INIS)

Yuan, Junhui; Xie, Qingxing; Yu, Niannian; Wang, Jiafu

2017-01-01

Highlights: • The presence of Dirac cones in chemically decorated buckled arsenene AsX (X = CN, NC, NCO, NCS, and NCSe) has been revealed. • First-principles calculations show that all these chemically decorated arsenenes are kinetically stable in defending thermal fluctuations in room temperature. - Abstract: Using first principle calculations based on density functional theory (DFT), we have systematically investigated the structure stability and electronic properties of chemically decorated arsenenes, AsX (X = CN, NC, NCO, NCS and NCSe). Phonon dispersion and formation energy analysis reveal that all the five chemically decorated buckled arsenenes are energetically favorable and could be synthesized. Our study shows that wide-bandgap arsenene would turn into Dirac materials when functionalized by -X (X = CN, NC, NCO, NCS and NCSe) groups, rendering new promises in next generation high-performance electronic devices.

Holographic analysis of dispersive pupils in space--time optics

International Nuclear Information System (INIS)

Calatroni, J.; Vienot, J.C.

1981-01-01

Extension of space--time optics to objects whose transparency is a function of the temporal frequency v = c/lambda is examined. Considering the effects of such stationary pupils on white light waves, they are called temporal pupils. It is shown that simultaneous encoding both in the space and time frequency domains is required to record pupil parameters. The space-time impulse response and transfer functions are calculated for a dispersive nonabsorbent material. An experimental method providing holographic recording of the dispersion curve of any transparent material is presented

Holographic analysis of dispersive pupils in space--time optics

Energy Technology Data Exchange (ETDEWEB)

Calatroni, J.; Vienot, J.C.

1981-06-01

Extension of space--time optics to objects whose transparency is a function of the temporal frequency v = c/lambda is examined. Considering the effects of such stationary pupils on white light waves, they are called temporal pupils. It is shown that simultaneous encoding both in the space and time frequency domains is required to record pupil parameters. The space-time impulse response and transfer functions are calculated for a dispersive nonabsorbent material. An experimental method providing holographic recording of the dispersion curve of any transparent material is presented.

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

International Nuclear Information System (INIS)

Streek, Jacco van de; Neumann, Marcus A.

2010-01-01

The accuracy of a dispersion-corrected density functional theory method is validated against 241 experimental organic crystal structures from Acta Cryst. Section E. This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 Å either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect

Atmospheric tracer experiments for regional dispersion studies

International Nuclear Information System (INIS)

Heffter, J.L.; Ferber, G.J.

1980-01-01

Tracer experiments are being conducted to verify atmospheric transport and dispersion calculations at distances from tens to hundreds of km from pollutant sources. In one study, a 2 1/2 year sampling program has been carried out at 13 sites located 30 to 140 km from a source of 85 Kr at the Savannah River Plant in South Carolina. Average weekly concentrations as well as twice-daily concentrations were obtained. Sampling data and meteorological data, including surface, tower, and rawinsonde observations are available on magnetic tape for model verification studies. Some verification results for the Air Resources Laboratories Atmospheric Transort and Dispersion Model (ARL-ATAD) are shown for averaging periods from one week to two years

Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem

Science.gov (United States)

Tkatchenko, Alexandre; Ambrosetti, Alberto; DiStasio, Robert A.

2013-02-01

Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory calculations. However, when applied to more than two atoms, these methods are still frequently perceived to be based on ad hoc assumptions, rather than a rigorous derivation from quantum mechanics. Starting from the adiabatic connection fluctuation-dissipation (ACFD) theorem, an exact expression for the electronic exchange-correlation energy, we demonstrate that the pairwise interatomic dispersion energy for an arbitrary collection of isotropic polarizable dipoles emerges from the second-order expansion of the ACFD formula upon invoking the random-phase approximation (RPA) or the full-potential approximation. Moreover, for a system of quantum harmonic oscillators coupled through a dipole-dipole potential, we prove the equivalence between the full interaction energy obtained from the Hamiltonian diagonalization and the ACFD-RPA correlation energy. This property makes the Hamiltonian diagonalization an efficient method for the calculation of the many-body dispersion energy. In addition, we show that the switching function used to damp the dispersion interaction at short distances arises from a short-range screened Coulomb potential, whose role is to account for the spatial spread of the individual atomic dipole moments. By using the ACFD formula, we gain a deeper understanding of the approximations made in the interatomic pairwise approaches, providing a powerful formalism for further development of accurate and efficient methods for the calculation of the dispersion energy.

An expert system for dispersion model interpretation

International Nuclear Information System (INIS)

Skyllingstad, E.D.; Ramsdell, J.V.

1988-10-01

A prototype expert system designed to diagnose dispersion model uncertainty is described in this paper with application to a puff transport model. The system obtains qualitative information from the model user and through an expert-derived knowledge base, performs a rating of the current simulation. These results can then be used in combination with dispersion model output for deciding appropriate evacuation measures. Ultimately, the goal of this work is to develop an expert system that may be operated accurately by an individual uneducated in meteorology or dispersion modeling. 5 refs., 3 figs

Dispersive finite-difference time-domain (FDTD) analysis of the elliptic cylindrical cloak

Energy Technology Data Exchange (ETDEWEB)

Lee, Y. Y.; Ahn, D. [University of Seoul, Seoul (Korea, Republic of)

2012-05-15

A dispersive full-wave finite-difference time-domain (FDTD) model is used to calculate the performance of elliptic cylindrical cloaking devices. The permittivity and the permeability tensors for the cloaking structure are derived by using an effective medium approach in general relativity. The elliptic cylindrical invisibility devices are found to show imperfect cloaking, and the cloaking performance is found to depend on the polarization of the incident waves, the direction of the propagation of those waves, the semi-focal distances and the loss tangents of the meta-material. When the semifocal distance of the elliptic cylinder decreases, the performance of the cloaking becomes very good, with neither noticeable scatterings nor field penetrations. For a larger semi-focal distance, only the TM wave with a specific propagation direction shows good cloaking performance. Realistic cloaking materials with loss still show a cloak that is working, but attenuated back-scattering waves exist.

Importance of dispersion and electron correlation in ab initio protein folding.

Science.gov (United States)

He, Xiao; Fusti-Molnar, Laszlo; Cui, Guanglei; Merz, Kenneth M

2009-04-16

Dispersion is well-known to be important in biological systems, but the effect of electron correlation in such systems remains unclear. In order to assess the relationship between the structure of a protein and its electron correlation energy, we employed both full system Hartree-Fock (HF) and second-order Møller-Plesset perturbation (MP2) calculations in conjunction with the Polarizable Continuum Model (PCM) on the native structures of two proteins and their corresponding computer-generated decoy sets. Because of the expense of the MP2 calculation, we have utilized the fragment molecular orbital method (FMO) in this study. We show that the sum of the Hartree-Fock (HF) energy and force field (LJ6)-derived dispersion energy (HF + LJ6) is well correlated with the energies obtained using second-order Møller-Plesset perturbation (MP2) theory. In one of the two examples studied, the correlation energy as well as the empirical dispersive energy term was able to discriminate between native and decoy structures. On the other hand, for the second protein we studied, neither the correlation energy nor dispersion energy showed discrimination capabilities; however, the ab initio MP2 energy and the HF+LJ6 both ranked the native structure correctly. Furthermore, when we randomly scrambled the Lennard-Jones parameters, the correlation between the MP2 energy and the sum of the HF energy and dispersive energy (HF+LJ6) significantly drops, which indicates that the choice of Lennard-Jones parameters is important.

Electronic structure of polycrystalline cadmium dichloride studied by X-ray spectroscopies and ab initio calculations

International Nuclear Information System (INIS)

Demchenko, I.N.; Chernyshova, M.; Stolte, W.C.; Speaks, D.T.; Derkachova, A.

2012-01-01

The electronic structure of cadmium dichloride has been studied by X-ray absorption near edge structure (XANES) and, for the first time, by resonant inelastic X-ray scattering (RIXS) at the Cl K edge. Good agreement was obtained between the non-resonant X-ray emission (XES) along with XANES experimental spectra and the calculated Cl 3p local partial density of states (DOS). The calculations were performed using the full-potential linearized-augmented-plane-wave with the local orbitals (FP-(L)APW l o) method utilized in the WIEN2k code. It was shown that the position of the RIXS band in CdCl 2 follows a linear dispersion according to the Raman–Stokes law if the excitation energy is tuned below the absorption threshold. The situation changes for core excitation above the photoabsorption threshold where the dispersion relation is split into two branches. The position of the resonant contribution does not depend on the excitation energy, while the excitonic sideband follows the Raman–Stoke law. Combined XANES and RIXS measurements compared to calculated band structure allowed us to determine the direct band gap of CdCl 2 to be at 5.7 ± 0.05 eV. -- Highlights: ► XANES at the K edge of Cl and related emission KV band interpreted within the ab initio DFT formalism. ► Two dominant contributions observed in RIXS data: the resonant and the excitonic ones. ► The dispersion relation below the absorption threshold follows Raman–Stokes law. ► Dispersion above the threshold splits into two qualitatively different relations. ► Overlapping of XAS spectrum with RIXS one makes possible to estimate direct band gap value to be 5.7 eV.

Increases of QT dispersion, corrected QT dispersion and QT interval in young healthy individuals during Ramadan fasting

Directory of Open Access Journals (Sweden)

Moradmand S

2003-06-01

Full Text Available Ramadan fasting is one of the most important religious duties of Muslims, that its effect on the heart has not been determined yet. Our objective was to evaluate the effect of Ramadan fasting on ventricular repolarization as assessed by QT interval, corrected QT interval, QT dispersion or corrected QT dispersion. Sixthy healthy subjects aged 20 to 35 years were dispersion included in this study. QT interval, corrected QT interval (QTc QT dispersion QTc dispersion, RR interval and QRS axis were measured in 12-lead surface electrocardiogram, once during fasting (10 to 11.5 hours of absolute fasting from food and liquid and another time, 15 tp 60 minutes after eating food at sunset, All of the subjects had been fasting 11 to 12 hours each day at least for 25 days during Ramadan. The study was performed at Amir Alam hospital in the year 2000. Maximal QT interval, mean QT interval and RR-interval, were longer during fasting (P<0.05, and both QT dispersion and QTc dispersion were increased (P<0.05. (QT dispersion: mean ±SD= 57.2±20.1 ms during fasting Vs 41.6±15.1 ms after meal, QTc dispersion=75.4±24.6 ms during fasting Vs 64.1±22.8 ms after meal. But mean QTc interval maximal QTc interval and QRS axis showed no significant difference. Prolongation of QT interval and RR interval during fasting, instead of no significant changes in corrected QT interval may primarily suggest that prolongation of RR-interval causes QTc interval not to have significant difference. But increases of QT dispersion and corrected QT dispersion (QTc dispersion during fasting -that are more reliable indicators of ventricular repolarization-support the idea that ventricular repolarization may be changed during Ramadan fasting. QT dispersion in cardiac patients is showed to increase from normal values of 30-40 to 64-138 ms, but in our study their increases did not reach critical value.

On Phonons in Simple Metals II. Calculated Dispersion Curves In Aluminium

Energy Technology Data Exchange (ETDEWEB)

Johnson, R [AB Atomenergi, Nykoeping (Sweden); Westin, A [Dept. of Theore tical Physics, Univ. of Uppsala, Uppsala (Sweden)

1969-07-15

The real part of the dynamical matrix, derived earlier in a weak local potential ion-electron interaction model of the metal, is investigated in the case of aluminium. It is shown that the free electron, or Lindhard, dielectric function leads to a picture of the metal which is inconsistent with the dHvA observations of the Fermi surface. By adjusting one parameter, however, the experimental phonon frequencies are reproduced satisfactorily. Even some simple structure in the derivative d{omega}/dq can be reproduced in this way. Although corrections to the Lindhard dielectric matrix give no essential contributions to the dynamical matrix, the first order corrections, which are the most important, can explain the observed Fermi surface. Much of the observed structure in the phonon dispersion curves seems also to be due to these non-diagonal terms in the dielectric matrix.

Lateral dispersion coefficients as functions of averaging time

International Nuclear Information System (INIS)

Sheih, C.M.

1980-01-01

Plume dispersion coefficients are discussed in terms of single-particle and relative diffusion, and are investigated as functions of averaging time. To demonstrate the effects of averaging time on the relative importance of various dispersion processes, and observed lateral wind velocity spectrum is used to compute the lateral dispersion coefficients of total, single-particle and relative diffusion for various averaging times and plume travel times. The results indicate that for a 1 h averaging time the dispersion coefficient of a plume can be approximated by single-particle diffusion alone for travel times <250 s and by relative diffusion for longer travel times. Furthermore, it is shown that the power-law formula suggested by Turner for relating pollutant concentrations for other averaging times to the corresponding 15 min average is applicable to the present example only when the averaging time is less than 200 s and the tral time smaller than about 300 s. Since the turbulence spectrum used in the analysis is an observed one, it is hoped that the results could represent many conditions encountered in the atmosphere. However, as the results depend on the form of turbulence spectrum, the calculations are not for deriving a set of specific criteria but for demonstrating the need in discriminating various processes in studies of plume dispersion

Effect of dispersion on surface interactions of cobalt(II) octaethylporphyrin monolayer on Au(111) and HOPG(0001) substrates: a comparative first principles study.

Science.gov (United States)

Chilukuri, Bhaskar; Mazur, Ursula; Hipps, K W

2014-07-21

A density functional theory study of a cobalt(II) octaethylporphyrin (CoOEP) monolayer on Au(111) and HOPG(0001) surfaces was performed under periodic boundary conditions. Calculations with and without dispersion corrections are performed and the effect of van der Waals forces on the interface properties is analyzed. Calculations have determined that the CoOEP molecule tends to bind at the 3-fold and the 6-fold center sites on Au(111) and HOPG(0001), respectively. Geometric optimizations at the center binding sites have indicated that the porphyrin molecules (in the monolayer) lie flat on both substrates. Calculations also reveal that the CoOEP monolayer binds slightly more strongly to Au(111) than to HOPG(0001). Charge density difference plots disclose that charge is redistributed mostly around the porphyrin plane and the first layer of the substrates. Dispersion interactions cause a larger substrate to molecule charge pushback on Au(111) than on HOPG. CoOEP adsorption tends to lower the work functions of either substrate, qualitatively agreeing with the experimental photoelectron spectroscopic data. Comparison of the density of states (DOS) of the isolated CoOEP molecule with that on gold and HOPG substrates showed significant band shifts around the Fermi energy due to intermolecular orbital hybridization. Simulated STM images were plotted with the Tersoff-Hamann approach using the local density of states, which also agree with the experimental results. This study elucidates the role of dispersion for better describing porphyrin-substrate interactions. A DFT based overview of geometric, adsorption and electronic properties of a porphyrin monolayer on conductive surfaces is presented.

Automated system for smoke dispersion prediction due to wild fires in Alaska

Science.gov (United States)

Kulchitsky, A.; Stuefer, M.; Higbie, L.; Newby, G.

2007-12-01

Community climate models have enabled development of specific environmental forecast systems. The University of Alaska (UAF) smoke group was created to adapt a smoke forecast system to the Alaska region. The US Forest Service (USFS) Missoula Fire Science Lab had developed a smoke forecast system based on the Weather Research and Forecasting (WRF) Model including chemistry (WRF/Chem). Following the successful experience of USFS, which runs their model operationally for the contiguous U.S., we develop a similar system for Alaska in collaboration with scientists from the USFS Missoula Fire Science Lab. Wildfires are a significant source of air pollution in Alaska because the climate and vegetation favor annual summer fires that burn huge areas. Extreme cases occurred in 2004, when an area larger than Maryland (more than 25000~km2) burned. Small smoke particles with a diameter less than 10~μm can penetrate deep into lungs causing health problems. Smoke also creates a severe restriction to air transport and has tremendous economical effect. The smoke dispersion and forecast system for Alaska was developed at the Geophysical Institute (GI) and the Arctic Region Supercomputing Center (ARSC), both at University of Alaska Fairbanks (UAF). They will help the public and plan activities a few days in advance to avoid dangerous smoke exposure. The availability of modern high performance supercomputers at ARSC allows us to create and run high-resolution, WRF-based smoke dispersion forecast for the entire State of Alaska. The core of the system is a Python program that manages the independent pieces. Our adapted Alaska system performs the following steps \\begin{itemize} Calculate the medium-resolution weather forecast using WRF/Met. Adapt the near real-time satellite-derived wildfire location and extent data that are received via direct broadcast from UAF's "Geographic Information Network of Alaska" (GINA) Calculate fuel moisture using WRF forecasts and National Fire Danger

Dispersed-fringe-accumulation-based left-subtract-right method for fine co-phasing of a dispersed fringe sensor.

Science.gov (United States)

Li, Yang; Wang, Shengqian; Rao, Changhui

2017-05-20

In this paper, a dispersed-fringe-accumulation (DFA)-based left-subtract-right (LSR) piston estimation method (DFA-LSR), in which the dispersed fringe image is accumulated in the dispersed direction, and then the LSR method is used to estimate the piston error, is proposed for dispersed fringe sensors (DFS) in the fine co-phasing stage. The DFS is usually used to detect the piston errors (optical path difference) between different segmented mirrors or synthetic aperture telescopes. The DFA-LSR makes up for the shortcomings of the main peak position (MPP) method, which suffers from the constant offset in the pixel counts. The analysis and experiment results show that the proposed method can keep relatively better performance even at the condition of poor signal-to-noise ratio, compared with the MPP method in fine co-phasing stage.

Seasonal Changing Effect on Airflow and Pollutant Dispersion Characteristics in Urban Street Canyons

Directory of Open Access Journals (Sweden)

Jingliang Dong

2017-02-01

Full Text Available In this study, the effect of seasonal variation on air flow and pollutant dispersion characteristics was numerically investigated. A three-dimensional urban canopy model with unit aspect ratio (H/D = 1 was used to calculate surface temperature distribution in the street canyon. Four representative time events (1000 LST, 1300 LST, 1600 LST and 2000 LST during typical clear summer and winter days were selected to examine the air flow diurnal variation. The results revealed the seasonal variation significantly altered the street canyon microclimate. Compared with the street canyon surface temperature distribution in summer, the winter case showed a more evenly distributed surface temperature. In addition, the summer case showed greater daily temperature fluctuation than that of the winter case. Consequently, distinct pollutant dispersion patterns were observed between summer and winter scenarios, especially for the afternoon (1600 LST and night (2000 LST events. Among all studied time events, the pollutant removal performance of the morning (1000 LST and the night (2000 LST events were more sensitive to the seasonal variation. Lastly, limited natural ventilation performance was found during the summer morning and the winter night, which induced relatively high pollutant concentration along the pedestrian height level.

Dispersal Timing: Emigration of Insects Living in Patchy Environments.

Directory of Open Access Journals (Sweden)

Milica Lakovic

Full Text Available Dispersal is a life-history trait affecting dynamics and persistence of populations; it evolves under various known selective pressures. Theoretical studies on dispersal typically assume 'natal dispersal', where individuals emigrate right after birth. But emigration may also occur during a later moment within a reproductive season ('breeding dispersal'. For example, some female butterflies first deposit eggs in their natal patch before migrating to other site(s to continue egg-laying there. How breeding compared to natal dispersal influences the evolution of dispersal has not been explored. To close this gap we used an individual-based simulation approach to analyze (i the evolution of timing of breeding dispersal in annual organisms, (ii its influence on dispersal (compared to natal dispersal. Furthermore, we tested (iii its performance in direct evolutionary contest with individuals following a natal dispersal strategy. Our results show that evolution should typically result in lower dispersal under breeding dispersal, especially when costs of dispersal are low and population size is small. By distributing offspring evenly across two patches, breeding dispersal allows reducing direct sibling competition in the next generation whereas natal dispersal can only reduce trans-generational kin competition by producing highly dispersive offspring in each generation. The added benefit of breeding dispersal is most prominent in patches with small population sizes. Finally, the evolutionary contests show that a breeding dispersal strategy would universally out-compete natal dispersal.

Normal mode calculations of trigonal selenium

DEFF Research Database (Denmark)

Hansen, Flemming Yssing; McMurry, H. L.

1980-01-01

The phonon dispersion relations for trigonal selenium have been calculated on the basis of a short range potential field model. Electrostatic long range forces have not been included. The force field is defined in terms of symmetrized coordinates which reflect partly the symmetry of the space group...

DART model for thermal conductivity of U3Si2 aluminum dispersion fuel

International Nuclear Information System (INIS)

Rest, J.; Snelgrove, J.L.; Hofman, G.L.

1995-09-01

This paper describes the primary physical models that form the basis of the DART model for calculating irradiation-induced changes in the thermal conductivity of aluminium dispersion fuel. DART calculations of fuel swelling, pore closure, and thermal conductivity are compared with measured values

Theoretical Aspects of Phonon Dispersion Curves for Metals

International Nuclear Information System (INIS)

Cochran, W.

1965-01-01

Reasonably complete knowledge of the phonon dispersion curves for at least a dozen metallic elements and intermetallic compounds has now been obtained from neutron inelastic scattering experiments. The results have one feature in common: when analysed in terms of interatomic force constants they reveal the presence of comparatively long-range forces extending over several atomic spacings. The results for lead are particularly interesting; it did not prove possible to fit them by a force-constant model, but the dispersion curves for wave vectors in symmetry directions when analysed in terms of force constants between planes of atoms showed an oscillatory interatomic potential extending over distances of more than 20Å. This review is concerned with recent theoretical work which has a bearing on the calculation of phonon dispersion curves for metals and the explanation of the long range of the interatomic potential. The best hope at present for a general treatment of atomic interaction in metals appears to lie in the ''method of neutral pseudo-atoms'', (a description recently coined by Ziman). This approximate theory is outlined and its relevance to Kohn anomalies in phonon dispersion curves is discussed. Experimental data for sodium is consistent with the theory, and the interatomic potential in sodium varies periodically in a distance π/k F , where fik F is the Fermi momentum, as has already been demonstrated by Koenig in a different way. More exact calculations have been made for sodium by Toya and by Sham. The relationship between the different methods and other work of a more general character such as that of Harrison are discussed. (author) [fr

Topography and its effects on atmospheric dispersion in a risk study for nuclear facilities

International Nuclear Information System (INIS)

Wittek, P.

1985-07-01

In the consequence assessment model, applied in the German Reactor Risk Study (GRRS), atmospheric dispersion of radioactive substances is beeing treated with a straight line Gaussian dispersion model. But some of the German nuclear power plants are located in complex terrain. In this report, the 19 sites which are considered in the GRRS, are described and classified by two different methods in respect to terrain complexity. The relevant effects of the terrain on the dispersion are commented. Two modifications of the GRRS consequence assessment code UFOMOD take into account in a simple way the terrain elevation and the enhanced turbulence effected eventually by the terrain structure. Sample calculations for two release categories of the GRRS demonstrate the effect of these modifications on the calculated number of early fatalities. (orig.) [de

Noise study of all-normal dispersion supercontinuum sources for potential application in optical coherence tomography

DEFF Research Database (Denmark)

Bravo Gonzalo, Ivan; Engelsholm, Rasmus Dybbro; Bang, Ole

2017-01-01

bandwidths, such sources are characterized by large intensity fluctuations, limiting their performance for applications in imaging such as optical coherence tomography (OCT). An approach to eliminate the influence of noise sensitive effects is to use a so-called all-normal dispersion (ANDi) fiber, in which...... the dispersion is normal for all the wavelengths of interest. Pumping these types of fibers with short enough femtosecond pulses allows to suppress stimulated Raman scattering (SRS), which is known to be as noisy process as modulation instability (MI), and coherent SC is generated through self-phase modulation...... (SPM) and optical wave breaking (OWB). In this study, we show the importance of the pump laser and fiber parameters in the design of low-noise ANDi based SC sources, for application in OCT. We numerically investigate the pulse-to-pulse fluctuations of the SC, calculating the relative intensity noise...

Estimating plume dispersion: a comparison of several sigma schemes

International Nuclear Information System (INIS)

Irwin, J.S.

1983-01-01

The lateral and vertical Gaussian plume dispersion parameters are estimated and compared with field tracer data collected at 11 sites. The dispersion parameter schemes used in this analysis include Cramer's scheme, suggested for tall stack dispersion estimates, Draxler's scheme, suggested for elevated and surface releases, Pasquill's scheme, suggested for interim use in dispersion estimates, and the Pasquill--Gifford scheme using Turner's technique for assigning stability categories. The schemes suggested by Cramer, Draxler and Pasquill estimate the dispersion parameters using onsite measurements of the vertical and lateral wind-velocity variances at the effective release height. The performances of these schemes in estimating the dispersion parameters are compared with that of the Pasquill--Gifford scheme, using the Prairie Grass and Karlsruhe data. For these two experiments, the estimates of the dispersion parameters using Draxler's scheme correlate better with the measurements than did estimates using the Pasquill--Gifford scheme. Comparison of the dispersion parameter estimates with the measurement suggests that Draxler's scheme for characterizing the dispersion results in the smallest mean fractional error in the estimated dispersion parameters and the smallest variance of the fractional errors

Eulerian-Lagrangian solution of the convection-dispersion equation in natural coordinates

Science.gov (United States)

Cheng, Ralph T.; Casulli, Vincenzo; Milford, S. Nevil

1984-01-01

The vast majority of numerical investigations of transport phenomena use an Eulerian formulation for the convenience that the computational grids are fixed in space. An Eulerian-Lagrangian method (ELM) of solution for the convection-dispersion equation is discussed and analyzed. The ELM uses the Lagrangian concept in an Eulerian computational grid system. The values of the dependent variable off the grid are calculated by interpolation. When a linear interpolation is used, the method is a slight improvement over the upwind difference method. At this level of approximation both the ELM and the upwind difference method suffer from large numerical dispersion. However, if second-order Lagrangian polynomials are used in the interpolation, the ELM is proven to be free of artificial numerical dispersion for the convection-dispersion equation. The concept of the ELM is extended for treatment of anisotropic dispersion in natural coordinates. In this approach the anisotropic properties of dispersion can be conveniently related to the properties of the flow field. Several numerical examples are given to further substantiate the results of the present analysis.

Views on the calculation of flow and dispersion processes in fractured rock

International Nuclear Information System (INIS)

Joensson, Lennart

1990-03-01

In the report some basic aspects on model types, physical processes, determination of parameters are discussed in relation to a description of flow and dispersion processes in fractured rocks. As far as model types concern it is shown that Darcy's law and the dispersion equation are not especially applicable. These equations can only describe an average situation of flow and spreading while in reality very large deviations could exist between an average situation and the flow and concentration distribution for a certain fracture geometry. The reason for this is primarily the relation between the length scales for the repository and the near field and the fracture system respectively and the poor connectivity between fractures or expressed in another way - the geosphere can not be treated as a continuous medium. The statistical properties of the fractures and the fracture geometry cause large uncertainties in at least two respects: * boundary conditions as to groundwater flow at the repository and thus the mass flow of radioactive material * distribution of flows and concentrations in planes in the geosphere on different distances from the repository. A realistic evaluation of transport and spreading of radioactive material by the groundwater in the geosphere thus requires that the possible variation or uncertainty of the water conducting characteristics of the fracture system is considered. A possible approach is then to describe flow in the geosphere on the basic of the flow in single fractures which are hydraulically connected to each other so that a flow in a fracture system is obtained. The discussion on physical processes which might influence the flow description in single fractures is concentrated to three aspects - factors driving the flow besides the ordinary hydraulic gradient, the viscous properties of water in a very small space (such as a fracture), the influence on the flow of heat release from the repository. (42 figs., 28 refs.)

Development of a tritium dispersion code

International Nuclear Information System (INIS)

Bell, R.P.; Davis, M.W.; Joseph, S.; Wong, K.Y.

1985-01-01

This paper describes the development and verification of a computer code designed to calculate the radiation dose to man following acute or chronic atmospheric releases of tritium gas and oxide from a point source. The Ontario Hydro Tritium Dispersion Code calculates tritium concentrations in air, soil, and vegetation and doses to man resulting from inhalation/immersion and ingestion of food, milk meat and water. The deposition of HT to soil, conversion of HT to HTO by soil enzymes and resuspension of HTO to air have been incorporated into the terrestrial compartment model and are unique features of the code. Sensitivity analysis has identified the HT deposition velocity and the equivalent water depth of the vegetation compartment as two parameters which have a strong influence on dose calculations. Tritium concentrations in vegetation and soil calculated by the code were in reasonable agreement with experimental results. The radiological significance of including the mechanisms of HT to HTO conversion and resuspension of HTO to air is illustrated

The role of poly(methacrylic acid) conformation on dispersion behavior of nano TiO2 powder

Science.gov (United States)

Singh, Bimal P.; Nayak, Sasmita; Samal, Samata; Bhattacharjee, Sarama; Besra, Laxmidhar

2012-02-01

To exploit the advantages of nanoparticles for various applications, controlling the dispersion and agglomeration is of paramount importance. Agglomeration and dispersion behavior of titanium dioxide (TiO2) nanoparticles was investigated using electrokinetic and surface chemical properties. Nanoparticles are generally stabilized by the adsorption of a dispersant (polyelectrolyte) layer around the particle surface and in this connection ammonium salt of polymethacrylic acid (Darvan C) was used as dispersant to stabilize the suspension. The dosages of polyelectrolyte were optimized to get best dispersion stability by techniques namely particle charge detector (13.75 mg/g) and adsorption (14.57 mg/g). The surface charge of TiO2 particles changed significantly in presence of dispersant Darvan C and isoelectric point (iep) shifted significantly towards lower pH from 5.99 to 3.37. The shift in iep has been quantified in terms of free energy of interaction between the surface sites of TiO2 and the adsorbing dispersant Darvan C. Free energies of adsorption were calculated by electrokinetic data (-9.8 RT unit) and adsorption isotherms (-10.56 RT unit), which corroborated well. The adsorption isotherms are of typical Langmuir type and employed for calculation of free energy. The results indicated that adsorption occurs mainly through electrostatic interactions between the dispersant molecule and the TiO2 surface apart from hydrophobic interactions.

DART model for thermal conductivity of U3Si2 Aluminum dispersion fuel

International Nuclear Information System (INIS)

Rest, J.; Snelgrove, J.L.; Hofman, G.L.

2004-01-01

This paper describes the primary physical models that form the basis of the DART model for calculating irradiation-induced changes in the thermal conductivity of aluminum dispersion fuel. DART calculations of fuel swelling, pore closure, and thermal conductivity are compared with measured values. (author)

Nuclear performance calculations for the ELMO Bumpy Torus Reactor (EBTR) reference design

International Nuclear Information System (INIS)

Santoro, R.T.; Barnes, J.M.

1977-12-01

The nuclear performance of the ELMO Bumpy Torus Reactor reference design has been calculated using the one-dimensional discrete ordinates code ANISN and the latest available ENDF/B-IV transport cross-section data and nuclear response functions. The calculated results include estimates of the spatial and integral heating rate with emphasis on the recovery of fusion neutron energy in the blanket assembly and minimization of the energy deposition rates in the cryogenic magnet coil assemblies. The tritium breeding ratio in the natural lithium-laden blanket was calculated to be 1.29 tritium nuclei per incident neutron. The radiation damage in the reactor structural material and in the magnet assembly is also given

Dispersion of a layered electron gas with nearest neighbour-tunneling

International Nuclear Information System (INIS)

Miesenboeck, H.M.

1988-09-01

The dispersion of the first plasmon band is calculated within the Random Phase Approximation for a superlattice of two-dimensional electron-gases, mutually interacting, and with nearest neighbour hopping between the planes. It is further shown that the deviations of this dispersion from the one in systems with zero interplane motion are very small in commonly realized experimental situations and that they are expected to be observable only in samples with plane distances of 100A and less. (author). 15 refs, 3 figs, 1 tab

MONO: A program to calculate synchrotron beamline monochromator throughputs

International Nuclear Information System (INIS)

Chapman, D.

1989-01-01

A set of Fortran programs have been developed to calculate the expected throughput of x-ray monochromators with a filtered synchrotron source and is applicable to bending magnet and wiggler beamlines. These programs calculate the normalized throughput and filtered synchrotron spectrum passed by multiple element, flat un- focussed monochromator crystals of the Bragg or Laue type as a function of incident beam divergence, energy and polarization. The reflected and transmitted beam of each crystal is calculated using the dynamical theory of diffraction. Multiple crystal arrangements in the dispersive and non-dispersive mode are allowed as well as crystal asymmetry and energy or angle offsets. Filters or windows of arbitrary elemental composition may be used to filter the incident synchrotron beam. This program should be useful to predict the intensities available from many beamline configurations as well as assist in the design of new monochromator and analyzer systems. 6 refs., 3 figs

Towards a dispersive determination of the pion transition form factor

Science.gov (United States)

Leupold, Stefan; Hoferichter, Martin; Kubis, Bastian; Niecknig, Franz; Schneider, Sebastian P.

2018-01-01

We start with a brief motivation why the pion transition form factor is interesting and, in particular, how it is related to the high-precision standard-model calculation of the gyromagnetic ratio of the muon. Then we report on the current status of our ongoing project to calculate the pion transition form factor using dispersion theory. Finally we present and discuss a wish list of experimental data that would help to improve the input for our calculations and/or to cross-check our results.

Towards a dispersive determination of the pion transition form factor

Directory of Open Access Journals (Sweden)

Leupold Stefan

2018-01-01

Full Text Available We start with a brief motivation why the pion transition form factor is interesting and, in particular, how it is related to the high-precision standard-model calculation of the gyromagnetic ratio of the muon. Then we report on the current status of our ongoing project to calculate the pion transition form factor using dispersion theory. Finally we present and discuss a wish list of experimental data that would help to improve the input for our calculations and/or to cross-check our results.

An Assessment of SKB's Performance Assessment Calculations in the Interim Main Report for the Safety Assessment SR-Can

International Nuclear Information System (INIS)

Maul, Philip; Robinson, Peter

2005-03-01

SKB have published their Interim Main Report of the safety assessment SR-Can, which is intended to establish the framework for what will be submitted in 2006 in support of a licence application for construction of the spent fuel encapsulation plant. This follows on from the SR-Can Planning Document published in 2003. The purpose of the Interim Report is stated to be to demonstrate the methodology that will be used for safety assessment. The present report evaluates the information provided in the Interim SR-Can Report that is relevant to the Performance Assessment (PA) calculations that SKB intend to undertake, using independent calculations to facilitate this process. SKB consider that the primary safety function is to isolate completely the fuel within the canisters over the entire assessment period. Should a canister be damaged, the secondary safety function is to ensure that any release is retarded and dispersed sufficiently to ensure that concentrations levels in the accessible environment cannot cause unacceptable consequences. In this report PA calculations are considered to include both a high-level representation of the evolution of the system (relevant to the primary safety function), and any subsequent radionuclide transport (relevant to the secondary safety function). The main conclusions drawn are: 1. The effects of climate evolution on engineered barriers have not been analysed in detail in the Interim Report, and this limits the usefulness of the preliminary calculations that have been undertaken. 2. A key aspect of SKB's approach is the use of an integrated near-field evolution model. The information provided on this model demonstrates its capability efficiently to reproduce calculations from individual process models, but insufficient information is given at the present time to justify statements about interactions between processes. In particular it is assumed that relatively short term thermal and resaturation processes do not affect the

Two-Sided Estimates of Thermo-elastic Characteristics of Dispersed Inclusion Composites

Directory of Open Access Journals (Sweden)

V. S. Zarubin

2015-01-01

Full Text Available The composites, dispersion-reinforced with inclusions from high-strength and high-modulus materials are widely used in technology. Nanostructure elements can perform the role of such inclusions as well. Possible applications of such composites in heat-stressed structures under heavy mechanical and thermal influences significantly depend on a complex of thermo-mechanical characteristics including the values of the moduli of elasticity and coefficient of linear thermal expansion. There are different approaches to construction of mathematical models that allow calculating dependences to estimate elastic characteristics of composites. Relation between thermoelastic properties of matrix and inclusions of the composite with its temperature coefficient of linear expansion is studied in less detail. Thus, attention has been insufficient in estimating a degree of reliability and a possible error of derived dependencies.A dual variation formulation of the problem of thermo-elasticity in a non-uniform solids simulating the properties and structure of the composite with dispersed inclusions, makes it possible to define two-sided limits of possible values of the volume elasticity modulus, shear modulus, and coefficient of linear thermal expansion of such composite. These limits allow us to estimate the maximum possible error, if to take a half-sum of the limit values of these parameters as the thermoelastic characteristics of the composite. Implementing this approach to find possible errors, arising when using one or another calculating dependency, improves reliability of predicted thermo-elastic characteristics as applied to existing and promising composites.

The QT dispersion and QTc dispersion in patients presenting with acute neurological events and its impact on early prognosis

Directory of Open Access Journals (Sweden)

Kailash Kumar Rahar

2016-01-01

Full Text Available Aims: To find out and investigate whether the QT dispersion and QTc dispersion is related to type and prognosis of the acute stroke in patients presenting within 24 h of the onset of stroke. Settings and Design: This was a observational study conducted at Mahatma Gandhi Hospital, Dr. SN. Medical College, Jodhpur, during January 2014 to January 2015. Subjects and Methods: The patients presented within 24 h of onset of acute stroke (hemorrhagic, infarction, or transient ischemic event were included in the study. The stroke was confirmed by computed tomography scan and magnetic resonance imaging. Patients with (i altered sensorium because of metabolic, infective, seizures, trauma, or tumor; (ii prior history of cardiovascular disease, electrocardiographic abnormalities' because of dyselectrolytemia; and (iii and patients who were on drugs (antiarrhythmic drugs, antipsychotic drugs, erythromycin, theophylline, etc., which known to cause electrocardiogram changes, were excluded from the study. National Institute of Health Stroke Score (NIHSS was calculated at the time of admission and Modified Rankin Scale (MRS at the time of discharge. Fifty age- and sex-matched healthy controls included. Statistical Analysis Used: Student's t-test, ANOVA, and area under curve for sensitivity and specificity for the test. Results: We included 52 patients (male/female: 27/25 and 50 controls (26/24. The mean age of patients was 63.17 ± 08.90 years. Of total patients, infarct was found in 32 (61.53%, hemorrhage in 18 (34.61%, transient ischemic attack (TIA in 1 (1.9%, and subarachnoid hemorrhage in 1 (1.9% patient. The QT dispersion and QTc dispersion were significantly higher in cases as compare to controls. (87.30 ± 24.42 vs. 49.60 ± 08.79 ms; P < 0.001 and (97.53 ± 27.36 vs. 56.28 ± 09.86 ms; P < 0.001. Among various types of stroke, the mean QT dispersion and QTc dispersion were maximum and significantly higher in hemorrhagic stroke as compared to infarct and

Yearly thermal performances of solar heating plants in Denmark – Measured and calculated

DEFF Research Database (Denmark)

Furbo, Simon; Dragsted, Janne; Perers, Bengt

2018-01-01

The thermal performance of solar collector fields depends mainly on the mean solar collector fluid temperature of the collector field and on the solar radiation. For Danish solar collector fields for district heating the measured yearly thermal performances per collector area varied in the period...... 2012–2016 between 313 kWh/m2 and 577 kWh/m2, with averages between 411 kWh/m2 and 463 kWh/m2. The percentage difference between the highest and lowest measured yearly thermal performance is about 84%. Calculated yearly thermal performances of typically designed large solar collector fields at six...... different locations in Denmark with measured weather data for the years 2002–2010 vary between 405 kWh/m2 collector and 566 kWh/m2 collector, if a mean solar collector fluid temperature of 60 °C is assumed. This corresponds to a percentage difference between the highest and lowest calculated yearly thermal...

Long-range dispersion interactions. II. Alkali-metal and rare-gas atoms

International Nuclear Information System (INIS)

Mitroy, J.; Zhang, J.-Y.

2007-01-01

The dispersion coefficients for the van der Waals interactions between the rare gases Ne, Ar, Kr, and Xe and the low-lying states of Li, Na, K, and Rb are estimated using a combination of ab initio and semiempirical methods. The rare-gas oscillator strength distributions for the quadrupole and octupole transitions were derived by using high-quality calculations of rare-gas polarizabilities and dispersion coefficients to tune Hartree-Fock single-particle energies and expectation values

Plasma influence on the dispersion properties of finite-length, corrugated waveguides

OpenAIRE

Shkvarunets, A.; Kobayashi, S.; Weaver, J.; Carmel, Y.; Rodgers, J.; Antonsen, T.; Granatstein, V.L.; Destler, W.W.; Ogura, K.; Minami, K.

1996-01-01

We present an experimental study of the electromagnetic properties of transverse magnetic modes in a corrugated-wall cavity filled with a radially inhomogeneous plasma. The shifts of the .resonant frequencies of a finite-length, corrugated cavity were measured as a function of the background plasma density and the dispersion diagram was reconstructed up to a peak plasma density of 1012 em - 3. Good agreement with a calculated dispersion diagram is obtained for plasma densities below 5 X 1011 ...

Approximate method for treating dispersion in one-way quantum channels

International Nuclear Information System (INIS)

Stace, T. M.; Wiseman, H. M.

2006-01-01

Coupling the output of a source quantum system into a target quantum system is easily treated by cascaded systems theory if the intervening quantum channel is dispersionless. However, dispersion may be important in some transfer protocols, especially in solid-state systems. In this paper we show how to generalize cascaded systems theory to treat such dispersion, provided it is not too strong. We show that the technique also works for fermionic systems with a low flux, and can be extended to treat fermionic systems with large flux. To test our theory, we calculate the effect of dispersion on the fidelity of a simple protocol of quantum state transfer. We find good agreement with an approximate analytical theory that had been previously developed for this example

Dispersion engineering of mode-locked fibre lasers

Science.gov (United States)

Woodward, R. I.

2018-03-01

Mode-locked fibre lasers are important sources of ultrashort pulses, where stable pulse generation is achieved through a balance of periodic amplitude and phase evolutions. A range of distinct cavity pulse dynamics have been revealed, arising from the interplay between dispersion and nonlinearity in addition to dissipative processes such as filtering. This has led to the discovery of numerous novel operating regimes, offering significantly improved laser performance. In this Topical Review, we summarise the main steady-state pulse dynamics reported to date through cavity dispersion engineering, including average solitons, dispersion-managed solitons, dissipative solitons, giant-chirped pulses and similaritons. Characteristic features and the stabilisation mechanism of each regime are described, supported by numerical modelling, in addition to the typical performance and limitations. Opportunities for further pulse energy scaling are discussed, in addition to considering other recent advances including automated self-tuning cavities and fluoride-fibre-based mid-infrared mode-locked lasers.

Dispersive approach to the axial anomaly and nonrenormalization theorem

International Nuclear Information System (INIS)

Pasechnik, R.S.; Teryaev, O.V.

2006-01-01

Anomalous triangle graphs for the divergence of the axial-vector current are studied using the dispersive approach generalized for the case of higher orders of perturbation theory. The validity of this procedure is proved up to the two-loop level. By direct calculation in the framework of dispersive approach we have obtained that the two-loop axial-vector-vector (AVV) amplitude is equal to zero. According to the Vainshtein's theorem, the transversal part of the anomalous triangle is not renormalized in the chiral limit. We generalize this theorem for the case of finite fermion mass in the triangle loop

Dispersion characteristics of planar grating with arbitrary grooves for terahertz Smith-Purcell radiation

International Nuclear Information System (INIS)

Cao, Miaomiao; Li, Ke; Liu, Wenxin; Wang, Yong

2015-01-01

In this paper, a novel method of getting the dispersion relations in planar grating with arbitrary grooves for terahertz Smith-Purcell radiation is investigated analytically. The continuous profile of the groove is approximately replaced by a series of rectangular steps. By making use of field matches method and the continuity of transverse admittance, the universal dispersion equation for grating with arbitrarily shaped grooves is derived. By solving the dispersion equation in presence of electron beam, the growth rate is obtained directly and the dependence on beam parameters is analyzed. Comparisons of the dispersion characteristics among some special groove shapes have been made by numerical calculation. The results show that the rectangular-step approximation method provides a novel approach to obtain the universal dispersion relation for grating with arbitrary grooves for Smith-Purcell radiation

A new numerical method to solve the dispersion relation in multispecies plasma

International Nuclear Information System (INIS)

Cereceda, C.; Puerta, J.

2000-01-01

In this paper a new accurate and fast method for solving the linear dispersion relation for multispecies plasma is introduced. The method uses a four poles fractional approximation for the Z dispersion function, transforming the dispersion relation into a polynomial form. Time and space growth rates are then calculated. Calculations for a single beam - plasma are carried out being in good agreement with several authors. This method is very effective to simplify the calculation of growth rates in multi-ion plasmas. For multispecies plasmas several new modes of propagation arise. For two ion beam - plasma system, two slow modes can propagate, both which are unstable. Two maxima in the growth rates corresponding to each of these modes can be excited. The instability of one of the slow modes is fed by the energy of the light ion beam and the other one is fed by heavy beam ions. Each one of these two maxima is increased when the concentration of the corresponding species increases. But even for a small concentration of the light beam, the growth rate of the mode fed by it is the largest one, because in the single ion beam-plasma system the lighter ion yields the largest growth rate. (orig.)

The lifecontingencies Package: Performing Financial and Actuarial Mathematics Calculations in R

Directory of Open Access Journals (Sweden)

Giorgio Alfredo Spedicato

2013-11-01

Full Text Available It is possible to model life contingency insurances with the lifecontingencies R package, which is capable of performing financial and actuarial mathematics calculations. Its functions permit one to determine both the expected value and the stochastic distribution of insured benefits. Therefore, life insurance coverage can be priced and portfolios risk-based capital requirements can be assessed. This paper briefly summarizes the theory regarding life contingencies that is based on financial mathematics and demographic con- cepts. Then, with the aid of applied examples, it shows how the lifecontingencies package can be a useful tool for executing routine, deterministic, or stochastic calculations for life-contingencies actuarial mathematics.

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

Science.gov (United States)

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

1983-05-01

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

Mixing height derived from the DMI-HIRLAM NWP model, and used for ETEX dispersion modelling

Energy Technology Data Exchange (ETDEWEB)

Soerensen, J.H.; Rasmussen, A. [Danish Meteorological Inst., Copenhagen (Denmark)

1997-10-01

For atmospheric dispersion modelling it is of great significance to estimate the mixing height well. Mesoscale and long-range diffusion models using output from numerical weather prediction (NWP) models may well use NWP model profiles of wind, temperature and humidity in computation of the mixing height. This is dynamically consistent, and enables calculation of the mixing height for predicted states of the atmosphere. In autumn 1994, the European Tracer Experiment (ETEX) was carried out with the objective to validate atmospheric dispersion models. The Danish Meteorological Institute (DMI) participates in the model evaluations with the Danish Emergency Response Model of the Atmosphere (DERMA) using NWP model data from the DMI version of the High Resolution Limited Area Model (HIRLAM) as well as from the global model of the European Centre for Medium-Range Weather Forecast (ECMWF). In DERMA, calculation of mixing heights are performed based on a bulk Richardson number approach. Comparing with tracer gas measurements for the first ETEX experiment, a sensitivity study is performed for DERMA. Using DMI-HIRLAM data, the study shows that optimum values of the critical bulk Richardson number in the range 0.15-0.35 are adequate. These results are in agreement with recent mixing height verification studies against radiosonde data. The fairly large range of adequate critical values is a signature of the robustness of the method. Direct verification results against observed missing heights from operational radio-sondes released under the ETEX plume are presented. (au) 10 refs.

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

International Nuclear Information System (INIS)

Kimura, Toshiya.

1997-03-01

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

Blind third-order dispersion estimation based on fractional Fourier transformation for coherent optical communication

Science.gov (United States)

Yang, Lin; Guo, Peng; Yang, Aiying; Qiao, Yaojun

2018-02-01

In this paper, we propose a blind third-order dispersion estimation method based on fractional Fourier transformation (FrFT) in optical fiber communication system. By measuring the chromatic dispersion (CD) at different wavelengths, this method can estimation dispersion slope and further calculate the third-order dispersion. The simulation results demonstrate that the estimation error is less than 2 % in 28GBaud dual polarization quadrature phase-shift keying (DP-QPSK) and 28GBaud dual polarization 16 quadrature amplitude modulation (DP-16QAM) system. Through simulations, the proposed third-order dispersion estimation method is shown to be robust against nonlinear and amplified spontaneous emission (ASE) noise. In addition, to reduce the computational complexity, searching step with coarse and fine granularity is chosen to search optimal order of FrFT. The third-order dispersion estimation method based on FrFT can be used to monitor the third-order dispersion in optical fiber system.

Comparison of irradiation behavior of different uranium silicide dispersion fuel element designs

International Nuclear Information System (INIS)

Hofman, G.L.; Rest, J.; Snelgrove, J.L.

1995-01-01

Calculations of fuel swelling of U 3 SiAl-Al and U 3 Si 2 were performed for various dispersion fuel element designs. Breakaway swelling criteria in the form of critical fuel volume fractions were derived with data obtained from U 3 SiAl-Al plate irradiations. The results of the analysis show that rod-type elements remain well below the pillowing threshold. However, tubular fuel elements, which behave essentially like plates, will likely develop pillows or blisters at around 90% 235 U burnup. The U 3 Si 2 -Al compounds demonstrate stable swelling behavior throughout the entire burnup range for all fuel element designs

A laboratory dispersant effectiveness test which reflects dispersant efficiency in the field

International Nuclear Information System (INIS)

Lunel, T.; Wood, P.

1996-01-01

Oil dispersion efficiencies of surfactants, from laboratory dispersion tests and field data were compared and calibrated. Data from an oil spill, where dispersants were used as a major part of the response, was analysed. The data was accumulated through the monitoring of the dispersant operation of the Sea Empress spill incident, in which Forties Blend oil was spilled at sea. This detailed data set was used to calibrate existing laboratory dispersant tests, and to devise a new International Dispersant Effectiveness Test. The objective was to create a comprehensive guide to decision making on whether and when to start a dispersant spraying operation. The dispersion efficiencies obtained from the laboratory dispersant tests were compared with field data. Flume tests produced the highest percentage of dispersed oil for all the dispersal tests. However, it was emphasised that the total percentage of oil dispersed should not be the only measure of dispersant effectiveness, since it does not distinguish between the contribution of natural and chemically enhanced dispersion. 9 refs., 1 tab., 9 figs

Multipole electromagnetic moments of neutrino in dispersive medium

International Nuclear Information System (INIS)

Semikov, V.B.; Smorodinskij, Ya.A.; Gosudarstvennyj Komitet po Ispol'zovaniyu Atomnoj Ehnergii SSSR, Moscow

1989-01-01

Four multipole moments for a Dirac and Majorana neutrino in a dispersive medium are calculated viz., the electric monopole (charge), electric dipole, magnetic dipole and anapole dipole moment. For comparison the same quantities are presented in the case of vacuum. The neutrino does not possess an (induced) anapole moment in an isotropic medium; however, in a ferromagnetic such a moment exists and for the Majorana neutrino it is the only electromagnetic cjaracteristic. As an example the cross section for elastic scattering of a Majorana neutrino by nuclei in an isotropic plasma is calculated

Stellar Velocity Dispersion: Linking Quiescent Galaxies to Their Dark Matter Halos

Science.gov (United States)

Zahid, H. Jabran; Sohn, Jubee; Geller, Margaret J.

2018-06-01

We analyze the Illustris-1 hydrodynamical cosmological simulation to explore the stellar velocity dispersion of quiescent galaxies as an observational probe of dark matter halo velocity dispersion and mass. Stellar velocity dispersion is proportional to dark matter halo velocity dispersion for both central and satellite galaxies. The dark matter halos of central galaxies are in virial equilibrium and thus the stellar velocity dispersion is also proportional to dark matter halo mass. This proportionality holds even when a line-of-sight aperture dispersion is calculated in analogy to observations. In contrast, at a given stellar velocity dispersion, the dark matter halo mass of satellite galaxies is smaller than virial equilibrium expectations. This deviation from virial equilibrium probably results from tidal stripping of the outer dark matter halo. Stellar velocity dispersion appears insensitive to tidal effects and thus reflects the correlation between stellar velocity dispersion and dark matter halo mass prior to infall. There is a tight relation (≲0.2 dex scatter) between line-of-sight aperture stellar velocity dispersion and dark matter halo mass suggesting that the dark matter halo mass may be estimated from the measured stellar velocity dispersion for both central and satellite galaxies. We evaluate the impact of treating all objects as central galaxies if the relation we derive is applied to a statistical ensemble. A large fraction (≳2/3) of massive quiescent galaxies are central galaxies and systematic uncertainty in the inferred dark matter halo mass is ≲0.1 dex thus simplifying application of the simulation results to currently available observations.

Implementation of meso-scale radioactive dispersion model for GPU

Energy Technology Data Exchange (ETDEWEB)

Sunarko [National Nuclear Energy Agency of Indonesia (BATAN), Jakarta (Indonesia). Nuclear Energy Assessment Center; Suud, Zaki [Bandung Institute of Technology (ITB), Bandung (Indonesia). Physics Dept.

2017-05-15

Lagrangian Particle Dispersion Method (LPDM) is applied to model atmospheric dispersion of radioactive material in a meso-scale of a few tens of kilometers for site study purpose. Empirical relationships are used to determine the dispersion coefficient for various atmospheric stabilities. Diagnostic 3-D wind-field is solved based on data from one meteorological station using mass-conservation principle. Particles representing radioactive pollutant are dispersed in the wind-field as a point source. Time-integrated air concentration is calculated using kernel density estimator (KDE) in the lowest layer of the atmosphere. Parallel code is developed for GTX-660Ti GPU with a total of 1 344 scalar processors using CUDA. A test of 1-hour release discovers that linear speedup is achieved starting at 28 800 particles-per-hour (pph) up to about 20 x at 14 4000 pph. Another test simulating 6-hour release with 36 000 pph resulted in a speedup of about 60 x. Statistical analysis reveals that resulting grid doses are nearly identical in both CPU and GPU versions of the code.

Sensitivity of numerical dispersion modeling to explosive source parameters

International Nuclear Information System (INIS)

Baskett, R.L.; Cederwall, R.T.

1991-01-01

The calculation of downwind concentrations from non-traditional sources, such as explosions, provides unique challenges to dispersion models. The US Department of Energy has assigned the Atmospheric Release Advisory Capability (ARAC) at the Lawrence Livermore National Laboratory (LLNL) the task of estimating the impact of accidental radiological releases to the atmosphere anywhere in the world. Our experience includes responses to over 25 incidents in the past 16 years, and about 150 exercises a year. Examples of responses to explosive accidents include the 1980 Titan 2 missile fuel explosion near Damascus, Arkansas and the hydrogen gas explosion in the 1986 Chernobyl nuclear power plant accident. Based on judgment and experience, we frequently estimate the source geometry and the amount of toxic material aerosolized as well as its particle size distribution. To expedite our real-time response, we developed some automated algorithms and default assumptions about several potential sources. It is useful to know how well these algorithms perform against real-world measurements and how sensitive our dispersion model is to the potential range of input values. In this paper we present the algorithms we use to simulate explosive events, compare these methods with limited field data measurements, and analyze their sensitivity to input parameters. 14 refs., 7 figs., 2 tabs

Comparison of statistical evaluation of criticality calculations for reactors VENUS-F and ALFRED

Directory of Open Access Journals (Sweden)

Janczyszyn Jerzy

2017-01-01

Full Text Available Limitations of correct evaluation of keff in Monte Carlo calculations, claimed in literature, apart from the nuclear data uncertainty, need to be addressed more thoroughly. Respective doubts concern: the proper number of discarded initial cycles, the sufficient number of neutrons in a cycle and the recognition and dealing with the keff bias. Calculations were performed to provide more information on these points with the use of the MCB code, solely for fast cores. We present applied methods and results, such as: calculation results for stability of variance, relation between standard deviation reported by MCNP and this from the dispersion of multiple independent keff values, second order standard deviations obtained from different numbers of grouped results. All obtained results for numbers of discarded initial cycles from 0 to 3000 were analysed leading for interesting conclusions.

Modelling and tracer studies of atmospheric dispersion and deposition in regions of complex topography

International Nuclear Information System (INIS)

Norden, C.E.

1981-11-01

An indium tracer aerosol generating apparatus based on an alcohol/oxygen burner, and an analytical procedure by which filter samples containing tracer material could be analysed quantitatively by means of neutron activation analysis, were developed for use in atmospheric dispersion and deposition studies. A number of series of atmospheric dispersion experiments were conducted in the Richards Bay and Koeberg- Cape Town areas. The results are given, comparing the airbone tracer concentrations measured at ground level with values predicted by means of a numerical model, utilising two to three schemes, varying in sophistication, for calculating the dispersion coefficients. Recommendations are given regarding a dispersion model and dispersion coefficients for regular use in the Koeberg area, and ways for estimating plume trajectories

High density fuels using dispersion and monolithic fuel

Energy Technology Data Exchange (ETDEWEB)

Gomes, Daniel S.; Silva, Antonio T.; Abe, Alfredo Y.; Muniz, Rafael O.R.; Giovedi, Claudia, E-mail: dsgomes@ipen.br, E-mail: teixeira@ipen.br, E-mail: alfredo@ctmsp.mar.mil.br, E-mail: rafael.orm@gmail.com, E-mail: claudia.giovedi@ctmsp.mar.mil.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Universidade de São Paulo (USP), SP (Brazil). Departamento de Engenharia Naval e Oceânica

2017-07-01

Fuel plates used in high-performance research reactors need to be converted to low-enrichment uranium fuel; the fuel option based on a monolithic formulation requires alloys to contain 6 - 10 wt% Mo. In this case, the fuel plates are composed of the metallic alloy U-10Mo surrounded by a thin zirconium layer encapsulated in aluminum cladding. This study reviewed the physical properties of monolithic forms. The constraints produced during the manufacturing process were analyzed and compared to those of dispersed fuel. The bonding process used for dispersion fuels differs from the techniques applied to foil bonding used for pure alloys. The quality of monolithic plates depends on the fabrication method, which usually involves hot isostatic pressing and the thermal annealing effect of residual stress, which degrades the uranium cubic phase. The preservation of the metastable phase has considerable influence on fuel performance. The physical properties of the foil fuel under irradiation are superior to those of aluminum-dispersed fuels. The fuel meat, using zirconium as the diffusion barrier, prevents the interaction layer from becoming excessively thick. The problem with dispersed fuel is breakaway swelling with a medium fission rate. It has been observed that the fuel dispersed in aluminum was minimized in monolithic forms. The pure alloys exhibited a suitable response from a rate at least twice as much as the fission rate of dispersions. The foils can support fissile material concentration combined with a reduced swelling rate. (author)

High density fuels using dispersion and monolithic fuel

International Nuclear Information System (INIS)

Gomes, Daniel S.; Silva, Antonio T.; Abe, Alfredo Y.; Muniz, Rafael O.R.; Giovedi, Claudia; Universidade de São Paulo

2017-01-01

Fuel plates used in high-performance research reactors need to be converted to low-enrichment uranium fuel; the fuel option based on a monolithic formulation requires alloys to contain 6 - 10 wt% Mo. In this case, the fuel plates are composed of the metallic alloy U-10Mo surrounded by a thin zirconium layer encapsulated in aluminum cladding. This study reviewed the physical properties of monolithic forms. The constraints produced during the manufacturing process were analyzed and compared to those of dispersed fuel. The bonding process used for dispersion fuels differs from the techniques applied to foil bonding used for pure alloys. The quality of monolithic plates depends on the fabrication method, which usually involves hot isostatic pressing and the thermal annealing effect of residual stress, which degrades the uranium cubic phase. The preservation of the metastable phase has considerable influence on fuel performance. The physical properties of the foil fuel under irradiation are superior to those of aluminum-dispersed fuels. The fuel meat, using zirconium as the diffusion barrier, prevents the interaction layer from becoming excessively thick. The problem with dispersed fuel is breakaway swelling with a medium fission rate. It has been observed that the fuel dispersed in aluminum was minimized in monolithic forms. The pure alloys exhibited a suitable response from a rate at least twice as much as the fission rate of dispersions. The foils can support fissile material concentration combined with a reduced swelling rate. (author)

Intramolecular BSSE and dispersion affect the structure of a dipeptide conformer

Science.gov (United States)

Hameed, Rabia; Khan, Afsar; van Mourik, Tanja

2018-05-01

B3LYP and MP2 calculations with the commonly-used 6-31+G(d) basis set predict qualitatively different structures for the Tyr-Gly conformer book1, which is the most stable conformer identified in a previous study. The structures differ mainly in the ψtyr Ramachandran angle (138° in the B3LYP structure and 120° in the MP2 structure). The causes for the discrepant structures are attributed to missing dispersion in the B3LYP calculations and large intramolecular BSSE in the MP2 calculations. The correct ψtyr value is estimated to be 130°. The MP2/6-31+G(d) profile identified an additional conformer, not present on the B3LYP surface, with a ψtyr value of 96° and a more folded structure. This minimum is, however, likely an artefact of large intramolecular BSSE values. We recommend the use of basis sets of at least quadruple-zeta quality in density functional theory (DFT), DFTaugmented with an empirical dispersion term (DFT-D) and second-order Møller-Plesset perturbation theory (MP2 ) calculations in cases where intramolecular BSSE is expected to be large.

Detailed source term estimation of the atmospheric release for the Fukushima Daiichi Nuclear Power Station accident by coupling simulations of an atmospheric dispersion model with an improved deposition scheme and oceanic dispersion model

Energy Technology Data Exchange (ETDEWEB)

Katata, G.; Chino, M.; Kobayashi, T. [Japan Atomic Energy Agency (JAEA), Ibaraki (Japan); and others

2015-07-01

Temporal variations in the amount of radionuclides released into the atmosphere during the Fukushima Daiichi Nuclear Power Station (FNPS1) accident and their atmospheric and marine dispersion are essential to evaluate the environmental impacts and resultant radiological doses to the public. In this paper, we estimate the detailed atmospheric releases during the accident using a reverse estimation method which calculates the release rates of radionuclides by comparing measurements of air concentration of a radionuclide or its dose rate in the environment with the ones calculated by atmospheric and oceanic transport, dispersion and deposition models. The atmospheric and oceanic models used are WSPEEDI-II (Worldwide version of System for Prediction of Environmental Emergency Dose Information) and SEA-GEARN-FDM (Finite difference oceanic dispersion model), both developed by the authors. A sophisticated deposition scheme, which deals with dry and fog-water depositions, cloud condensation nuclei (CCN) activation, and subsequent wet scavenging due to mixed-phase cloud microphysics (in-cloud scavenging) for radioactive iodine gas (I{sub 2} and CH{sub 3}I) and other particles (CsI, Cs, and Te), was incorporated into WSPEEDI-II to improve the surface deposition calculations. The results revealed that the major releases of radionuclides due to the FNPS1 accident occurred in the following periods during March 2011: the afternoon of 12 March due to the wet venting and hydrogen explosion at Unit 1, midnight of 14 March when the SRV (safety relief valve) was opened three times at Unit 2, the morning and night of 15 March, and the morning of 16 March. According to the simulation results, the highest radioactive contamination areas around FNPS1 were created from 15 to 16 March by complicated interactions among rainfall, plume movements, and the temporal variation of release rates. The simulation by WSPEEDI-II using the new source term reproduced the local and regional patterns of

Plasma influence on the dispersion properties of finite-length, corrugated waveguides

Science.gov (United States)

Shkvarunets, A.; Kobayashi, S.; Weaver, J.; Carmel, Y.; Rodgers, J.; Antonsen, T. M., Jr.; Granatstein, V. L.; Destler, W. W.; Ogura, K.; Minami, K.

1996-03-01

We present an experimental study of the electromagnetic properties of transverse magnetic modes in a corrugated-wall cavity filled with a radially inhomogeneous plasma. The shifts of the resonant frequencies of a finite-length, corrugated cavity were measured as a function of the background plasma density and the dispersion diagram was reconstructed up to a peak plasma density of 1012 cm-3. Good agreement with a calculated dispersion diagram is obtained for plasma densities below 5×1011 cm-3.

Analytical Characterization of SPM Impact on XPM-Induced Degradation in Dispersion-Compensated WDM Systems

Science.gov (United States)

Luís, Ruben S.; Cartaxo, Adolfo V. T.

2005-03-01

This paper proposes the definition of a cross-phase modulation (XPM)-induced power penalty for intensity modulation/direct detection (IM-DD) systems as a function of the normalized variance of the XPM-induced IM. This allows the definition of 1-dB power penalty reference values. New expressions of the equivalent linear model transfer functions for the XPM-induced IM and phase modulation (PM) that include the influence of self-phase modulation (SPM) as well as group-velocity dispersion are derived. The new expressions allow a significant extension for higher powers and dispersion parameters of expressions derived in previous papers for single-segment and multisegment fiber systems with dispersion compensation. Good agreement between analytical results and numerical simulations is obtained. Consistency with work performed numerically and experimentally by other authors is shown, validating the proposed model. Using the proposed model, the influence of residual dispersion and SPM on the limitations imposed by XPM on the performance of dispersion-compensated systems is assessed. It is shown that inline residual dispersion may lead to performance improvement for a properly tuned total residual dispersion. The influence of SPM is shown to degrade the system performance when nonzero-dispersion-shifted fiber is used. However, systems using standard single-mode fiber may benefit from the presence of SPM.

Time-Frequency Analysis of the Dispersion of Lamb Modes

Science.gov (United States)

Prosser, W. H.; Seale, Michael D.; Smith, Barry T.

1999-01-01

Accurate knowledge of the velocity dispersion of Lamb modes is important for ultrasonic nondestructive evaluation methods used in detecting and locating flaws in thin plates and in determining their elastic stiffness coefficients. Lamb mode dispersion is also important in the acoustic emission technique for accurately triangulating the location of emissions in thin plates. In this research, the ability to characterize Lamb mode dispersion through a time-frequency analysis (the pseudo Wigner-Ville distribution) was demonstrated. A major advantage of time-frequency methods is the ability to analyze acoustic signals containing multiple propagation modes, which overlap and superimpose in the time domain signal. By combining time-frequency analysis with a broadband acoustic excitation source, the dispersion of multiple Lamb modes over a wide frequency range can be determined from as little as a single measurement. In addition, the technique provides a direct measurement of the group velocity dispersion. The technique was first demonstrated in the analysis of a simulated waveform in an aluminum plate in which the Lamb mode dispersion was well known. Portions of the dispersion curves of the A(sub 0), A(sub 1), S(sub 0), and S(sub 2)Lamb modes were obtained from this one waveform. The technique was also applied for the analysis of experimental waveforms from a unidirectional graphite/epoxy composite plate. Measurements were made both along, and perpendicular to the fiber direction. In this case, the signals contained only the lowest order symmetric and antisymmetric modes. A least squares fit of the results from several source to detector distances was used. Theoretical dispersion curves were calculated and are shown to be in good agreement with experimental results.

A comparison of models to assess the atmospheric dispersion of resuspended radionuclides on the Nevada Test Site

International Nuclear Information System (INIS)

Green, J.R.; Eckart, R.E.

1994-11-01

A study of computer codes was made to determine the suitability of their use for modeling radionuclide dispersion from attachment to fugitive dust at the GMX safety shot area of the Nevada Test site. Two codes, the Industrial Source Complex 2 Long Term Model (ISCLT2) and the Fugitive Dust Model (FDM), were subsequently chosen to model the GMX site. Dose calculations were performed using the output values generated by the computer codes. The concentration values produced by the two codes were within a factor of two of each other and were not significantly different. The FDM, however, was felt to be a more useful code for use in calculating doses caused by attachment to fugitive dust

Flow time, flow velocity and longitudinal dispersion in Moselle and Weser rivers; Fliesszeit, Fliessgeschwindigkeit und Longitudinale Dispersion in Mosel und Weser

Energy Technology Data Exchange (ETDEWEB)

Krause, W.J.; Krinitzky, T.; Cremer, M. [Bundesanstalt fuer Gewaesserkunde (BfG), Koblenz (Germany)

2003-07-01

Since 1980, the Federal Institute of Hydrology has performed dispersion investigations with tritium as a tracer on Federal Waterways. The aim was to establish dispersion prognoses, i.e. forecasts of the longitudinal dispersion of concentrations of noxious substances in the water column. Characteristic parameters like discharge-relevant flow velocities, dispersion and elimination constants of emittent sites and selected river sections will be determined. They will serve as basis for a mathematical model permitting to forecast discharge-relevant flow velocities, expected impact times, concentration maxima and the duration of critical concentration increases. In the following, the results obtained at the Moselle river and the investigations carried out on the Weser river will be shortly described. (orig.)

Physics methods for calculating light water reactor increased performances

International Nuclear Information System (INIS)

Vandenberg, C.; Charlier, A.

1988-01-01

The intensive use of light water reactors (LWRs) has induced modification of their characteristics and performances in order to improve fissile material utilization and to increase their availability and flexibility under operation. From the conceptual point of view, adequate methods must be used to calculate core characteristics, taking into account present design requirements, e.g., use of burnable poison, plutonium recycling, etc. From the operational point of view, nuclear plants that have been producing a large percentage of electricity in some countries must adapt their planning to the need of the electrical network and operate on a load-follow basis. Consequently, plant behavior must be predicted and accurately followed in order to improve the plant's capability within safety limits. The Belgonucleaire code system has been developed and extensively validated. It is an accurate, flexible, easily usable, fast-running tool for solving the problems related to LWR technology development. The methods and validation of the two computer codes LWR-WIMS and MICROLUX, which are the main components of the physics calculation system, are explained

Calculating wind profiles above a pine forest

International Nuclear Information System (INIS)

Murphy, C.E.; Dexter, A.H.

1978-01-01

A major part of the environmental transport work at the Savannah River Laboratory (SRL) involves the dispersion of airborne pollutants (aerosols and gases). A major part of the Savannah River Plant (SRP) site is covered with pine forests. Because forests are ''rough'' surfaces which increase turbulence and surface shear stress and, hence, alter the dispersion patterns, the nature of the wind profiles above the forests is being investigated. Two methods for determining the surface shear caused by the atmospheric wind field over a pine plantation were compared. Friction velocity [the square root of the ratio of shearing stress over the density of air; U/sub */ = (stress/density)1/2] calculated by eddy correlation was compared with friction velocity calculated from wind profiles. Data from the first five meters above the pine forest were compared. The data indicated that there was no significant difference in the mean friction velocity measured by each method. However, there were large differences in individual values calculated by the two methods for many of the measurement periods. An attempt was made to reconcile the differences in the measured values, but no satisfactory method was found

Imaging the Formation of High-Energy Dispersion Anomalies in the Actinide UCoGa_{5}

Directory of Open Access Journals (Sweden)

Tanmoy Das

2012-11-01

Full Text Available We use angle-resolved photoemission spectroscopy to image the emergence of substantial dispersion and spectral-weight anomalies in the electronic renormalization of the actinide compound UCoGa_{5} that was presumed to belong to a conventional Fermi-liquid family. Kinks or abrupt breaks in the slope of the quasiparticle dispersion are detected both at low (approximately 130 meV and high (approximately 1 eV binding energies below the Fermi energy, ruling out any significant contribution of phonons. We perform numerical calculations to demonstrate that the anomalies are adequately described by coupling between itinerant fermions and spin fluctuations arising from the particle-hole continuum of the spin-orbit-split 5f states of uranium. These anomalies resemble the “waterfall” phenomenon of the high-temperature copper-oxide superconductors, suggesting that spin fluctuations are a generic route toward multiform electronic phases in correlated materials as different as high-temperature superconductors and actinides.

Phonon dispersion and Kohn anomalies in the alloy Cu8.84Al0.16

International Nuclear Information System (INIS)

Chou, H.; Shapiro, S.M.; Moss, S.C.; Mostoller, M.

1990-01-01

The authors have made detailed measurements of phonon frequencies along all high-symmetry directions on a large single crystal of Cu 0.84 Al 0.16 at room temperature. Phonon frequencies were ascertained to better than ±0.03 meV. Inter-atomic force constants and vibrational density of states were calculated by performing a Born-von Karman analysis on the complete set of phonon dispersion curves. In contrast to the case of pure Cu, no evident Kohn anomaly (neither in the phonon dispersion itself nor in the derivatives) was observed near the expected wave vector q = 2k F . The absence of Kohn anomalies in the present system could be due either to a smeared out Fermi surface or to the possibility that the electron-electron interaction which screens the inter-ionic potential is not the dominant interaction in the system: i.e., the existence of Kohn anomalies in these alloys may depend mainly on the details of the electron-phonon interaction

Fabrication of highly dispersed ZnO nanoparticles embedded in graphene nanosheets for high performance supercapacitors

International Nuclear Information System (INIS)

Fang, Linxia; Zhang, Baoliang; Li, Wei; Zhang, Jizhong; Huang, Kejing; Zhang, Qiuyu

2014-01-01

We report a facile strategy to synthesize ZnO-graphene nanocomposites as an advanced electrode material for high-performance supercapacitors. The ZnO-graphene nanocomposites have been fabricated via a facile, low-temperature in situ wet chemistry process. During this process, high dispersed ZnO nanoparticles are embedded in graphene nanosheets, leading to sandwich-structured ZnO-graphene nanocomposites. Thus, intimate interfacial contact between ZnO nanoparticles and graphene nanosheets are achieved, which facilitates electrochemical activity and enhance electrochemical properties due to fast electron transfer. The as-prepared ZnO-graphene nanocomposites exhibit a maximum specific capacitance of 786 F g −1 and excellent cycle life with capacity retention of about 92% after 500 cycles. This facile design and rational synthesis offers an effective strategy to enhance the electrochemical performance of supercapacitors and shows promising potential for large-scale application in energy storage

Synthesis and dyeing performance of bisazo disperse dyes based on 3-[4-(4-amino-2-chlorophenoxyanilino]phenol

Directory of Open Access Journals (Sweden)

Rajesh H. Parab

2016-09-01

Full Text Available The present communication aims to develop bisazo disperse dyes based on 3-[4-(4-amino-2-chlorophenoxyanilino]phenol (DAP both as a coupling component as well as a diazonium salt. Coupling reaction of DAP was carried out with a diazonium salt of 4-aminoacetanilide to yield a monoazo disperse dye, and then it was further used as a diazonium salt and coupled with a different aromatic phenol to synthesize bisazo disperse dyes. All the disperse dyes were characterized by elemental analysis, IR, NMR and UV–Visible spectral studies with a view to determine their chemical structure. The dyeing ability of these bisazo disperse dyes has been evaluated in terms of their dyeing behavior and fastness properties on different fabrics.

Dispersion of some fission radionuclides during routine releases from ETRR-2 reactor

International Nuclear Information System (INIS)

Essa, S.M.K.; Mayhoub, A.B.; Mubarak, F.; Abedel Fattah, A.T.; Atia, S.

2005-01-01

One of the most important parameters in plume dispersion modeling is the plume growth (dispersion coefficients δ). Different models for estimating dispersion parameters are discussed to establish the relative importance of one over the others. Comparisons were made between power-law function, standard, split sigma, and split sigma theta methods. We use the double Gaussian expression for calculating concentration in this comparison. The results show that, with low wind speed (<2 m/s) split sigma and split sigma theta methods give much better results than other methods. While with wind speed greater than 2 m/s the power-law functions methods give more plausible results

Relativistic invariance of dispersion-relations and their associated wave-operators and Green-functions

International Nuclear Information System (INIS)

Censor, Dan

2010-01-01

Identifying invariance properties helps in simplifying calculations and consolidating concepts. Presently the Special Relativistic invariance of dispersion relations and their associated scalar wave operators is investigated for general dispersive homogeneous linear media. Invariance properties of the four-dimensional Fourier-transform integrals is demonstrated, from which the invariance of the scalar Green-function is inferred. Dispersion relations and the associated group velocities feature in Hamiltonian ray tracing theory. The derivation of group velocities for moving media from the dispersion relation for these media at rest is discussed. It is verified that the group velocity concept satisfies the relativistic velocity-addition formula. In this respect it is considered to be 'real', i.e., substantial, physically measurable, and not merely a mathematical artifact. Conversely, if we assume the group velocity to be substantial, it follows that the dispersion relation must be a relativistic invariant. (orig.)

performance calculations of gadolinium oxide and boron nitride coated fuel

International Nuclear Information System (INIS)

Tanker, E.; Uslu, I.; Disbudak, H.; Guenduez, G.

1997-01-01

A comparative study was performed on the behaviour of natural uranium dioxide-gadolinium oxide mixture fuel and boron nitride coated low enriched fuel in a pressurized water reactor. A fuel element containing one burnable poison fuel pins was modeled with the computer code WIMS, and burn-up dependent critically, fissile isotope inventory and two dimensional power distribution were obtained. Calculations were performed for burnable poison fuels containing 5% and 10% gadolinium oxide and for those coated with 1μ,5μ and 10μ of boron nitride. Boron nitride coating was found superior to gadolinium oxide on account of its smoother criticality curve, lower power peaks and insignificant change in fissile isotope content

Improved quantification of CO2 emission at Campi Flegrei by combined Lagrangian Stochastic and Eulerian dispersion modelling

Science.gov (United States)

Pedone, Maria; Granieri, Domenico; Moretti, Roberto; Fedele, Alessandro; Troise, Claudia; Somma, Renato; De Natale, Giuseppe

2017-12-01

This study investigates fumarolic CO2 emissions at Campi Flegrei (Southern Italy) and their dispersion in the lowest atmospheric boundary layer. We innovatively utilize a Lagrangian Stochastic dispersion model (WindTrax) combined with an Eulerian model (DISGAS) to diagnose the dispersion of diluted gas plumes over large and complex topographic domains. New measurements of CO2 concentrations acquired in February and October 2014 in the area of Pisciarelli and Solfatara, the two major fumarolic fields of Campi Flegrei caldera, and simultaneous measurements of meteorological parameters are used to: 1) test the ability of WindTrax to calculate the fumarolic CO2 flux from the investigated sources, and 2) perform predictive numerical simulations to resolve the mutual interference between the CO2 emissions of the two adjacent areas. This novel approach allows us to a) better quantify the CO2 emission of the fumarolic source, b) discriminate ;true; CO2 contributions for each source, and c) understand the potential impact of the composite CO2 plume (Pisciarelli ;plus; Solfatara) on the highly populated areas inside the Campi Flegrei caldera.

LNG vapor dispersion prediction with the DEGADIS dense-gas dispersion model. Topical report, April 1988-July 1990. Documentation

International Nuclear Information System (INIS)

Havens, J.; Spicer, T.

1990-09-01

The topical report is one of a series on the development of methods for LNG vapor dispersion prediction for regulatory application. The results indicate that the DEGADIS model is superior both phenomenologically and in performance to the Gaussian line source model promulgated in 49 CFR 193 for LNG vapor dispersion simulation. Availability of the DEGADIS model for VAX and IBM-PC formats provides for wider use of the model and greater potential for industry and regulatory acceptance. The acceptance is seen as an important interim objective while research continues on vapor dispersion estimation methods which provide for effects of vapor detention systems, turbulence induced by plant structure, and plant/area topographical features

Scaling of Natal Dispersal Distances in Terrestrial Birds and Mammals

Directory of Open Access Journals (Sweden)

Glenn D. Sutherland

2000-07-01

Full Text Available Natal dispersal is a process that is critical in the spatial dynamics of populations, including population spread, recolonization, and gene flow. It is a central focus of conservation issues for many vertebrate species. Using data for 77 bird and 68 mammal species, we tested whether median and maximum natal dispersal distances were correlated with body mass, diet type, social system, taxonomic family, and migratory status. Body mass and diet type were found to predict both median and maximum natal dispersal distances in mammals: large species dispersed farther than small ones, and carnivorous species dispersed farther than herbivores and omnivores. Similar relationships occurred for carnivorous bird species, but not for herbivorous or omnivorous ones. Natal dispersal distances in birds or mammals were not significantly related to broad categories of social systems. Only in birds were factors such as taxonomic relatedness and migratory status correlated with natal dispersal, and then only for maximum distances. Summary properties of dispersal processes appeared to be derived from interactions among behavioral and morphological characteristics of species and from their linkages to the dynamics of resource availability in landscapes. In all the species we examined, most dispersers moved relatively short distances, and long-distance dispersal was uncommon. On the basis of these findings, we fit an empirical model based on the negative exponential distribution for calculating minimum probabilities that animals disperse particular distances from their natal areas. This model, coupled with knowledge of a species' body mass and diet type, can be used to conservatively predict dispersal distances for different species and examine possible consequences of large-scale habitat alterations on connectedness between populations. Taken together, our results can provide managers with the means to identify species vulnerable to landscape-level habitat changes

High performance shape annealing matrix (HPSAM) methodology for core protection calculators

International Nuclear Information System (INIS)

Cha, K. H.; Kim, Y. H.; Lee, K. H.

1999-01-01

In CPC(Core Protection Calculator) of CE-type nuclear power plants, the core axial power distribution is calculated to evaluate the safety-related parameters. The accuracy of the CPC axial power distribution highly depends on the quality of the so called shape annealing matrix(SAM). Currently, SAM is determined by using data measured during startup test and used throughout the entire cycle. An issue concerned with SAM is that it is fairly sensitive to measurements and thus the fidelity of SAM is not guaranteed for all cycles. In this paper, a novel method to determine a high-performance SAM (HPSAM) is proposed, where both measured and simulated data are used in determining SAM

Application of dispersive liquid-liquid microextraction and dispersive micro-solid-phase extraction for the determination of quinolones in swine muscle by high-performance liquid chromatography with diode-array detection

International Nuclear Information System (INIS)

Tsai, Wen-Hsien; Chuang, Hung-Yi; Chen, Ho-Hsien; Huang, Joh-Jong; Chen, Hwi-Chang; Cheng, Shou-Hsun; Huang, Tzou-Chi

2009-01-01

Dispersive liquid-liquid microextraction (DLLME) and dispersive micro-solid-phase extraction (DMSPE) are two simple and low-cost sample preparation methods for liquid samples. In this work, these two methods were applied to solid tissue sample for the determination of seven quinolones by high-performance liquid chromatography with diode-array detection (HPLC-DAD). After the homogenization of the swine muscle with acetonitrile and salt-promoted partitioning, small amounts of the extract were used for the DLLME and DMSPE methods. In the DLLME approach, the target analytes in the extraction solvent were rapidly extracted into a small volume of dichloromethane for drying and the residue was reconstituted for HPLC-DAD analysis. In the DMSPE approach, the target analytes in the extraction solvent were trapped by dispersive silica-based PSA (primary and secondary amine) sorbents and desorbed into a small amount of desorption solution for HPLC-DAD analysis. Under the optimal conditions, relative recoveries were determined for swine muscle spiked 50-200 μg kg -1 and quantification was achieved by matrix-matched calibration. The calibration curves of seven quinolones showed linearity with a correlation coefficient value above 0.998 for both approaches. Relative recoveries ranged from 93.0 to 104.7% and from 95.5 to 111.0% for DLLME and DMSPE, respectively. Limits of detection (LODs) ranged from 5.6 to 23.8 μg kg -1 and from 7.5 to 26.3 μg kg -1 for DLLME and DMSPE, respectively.

Utilization of multimode Love wave dispersion curve inversion for geotechnical site investigation

International Nuclear Information System (INIS)

Hamimu, La; Nawawi, Mohd; Safani, Jamhir

2011-01-01

Inversion codes based on a modified genetic algorithm (GA) have been developed to invert multimode Love wave dispersion curves. The multimode Love wave dispersion curves were synthesized from the profile representing shear-wave velocity reversal using a full SH (shear horizontal) waveform. In this study, we used a frequency–slowness transform to extract the dispersion curve from the full SH waveform. Dispersion curves overlain in dispersion images were picked manually. These curves were then inverted using the modified GA. To assess the accuracy of the inversion results, differences between the true and inverted shear-wave velocity profile were quantified in terms of shear-wave velocity and thickness errors, E S and E H . Our numerical modeling showed that the inversion of multimode dispersion curves can significantly provide the better assessment of a shear-wave velocity structure, especially with a velocity reversal profile at typical geotechnical site investigations. This approach has been applied on field data acquired at a site in Niigata prefecture, Japan. In these field data, our inversion results show good agreement between the calculated and experimental dispersion curves and accurately detect low velocity layer targets

Well-Dispersed Co/CoO/C Nanospheres with Tunable Morphology as High-Performance Anodes for Lithium Ion Batteries

Directory of Open Access Journals (Sweden)

Bingqing Xu

2016-11-01

Full Text Available Well-dispersed Co/CoO/C nanospheres have been designed and constructed through a facile electrospinning method with a strategy controlling the morphology of nanocomposites via adjusting the pre-oxidized and heat treatments. Scanning electron microscopy results reveal that the as-synthesized sample pre-oxidized at 275 °C shows better spherical morphology with a diameter of around 300 nm without conspicuous agglomeration. X-ray diffraction analysis confirms the coexistence of cobalt and cobalt monoxide in the sample. Furthermore, the electrochemical tests reveal that the sample pre-oxidized at 275 °C displays excellent cycling stability with only 0.016% loss per cycle even after 400 cycles at 1000 mA·g−1 and enhanced high-rate capability with a specific discharge capacity of 354 mA·g−1 at 2000 mA·g−1. Besides, the sample pre-oxidized at 275 °C shows a specific capacity of 755 mA·g−1 at 100 mA·g−1 after 95 cycles. The improved electrochemical performance has been ascribed to the well dispersion of nanospheres, the improved electronic conductivity, and the structural integrity contribution from the carbon and cobalt coexisting nanocomposite. The strategy for preparing well-dispersed nanospheres by adjusting pre-oxidized and annealing processes could have insight for other oxide nanosphere synthesis.

Photon Dispersion in a Supernova Core

OpenAIRE

Kopf, A.; Raffelt, G.

1997-01-01

While the photon forward-scattering amplitude on free magnetic dipoles (e.g. free neutrons) vanishes, the nucleon magnetic moments still contribute significantly to the photon dispersion relation in a supernova (SN) core where the nucleon spins are not free due to their interaction. We study the frequency dependence of the relevant spin susceptibility in a toy model with only neutrons which interact by one-pion exchange. Our approach amounts to calculating the photon absorption rate from the ...

Plasma Dispersion Functions for Complex Frequencies

International Nuclear Information System (INIS)

Pavlov, S. S.; Castejon, F.

2005-01-01

Plasma dispersion functions for complex wave propagation frequency in the weak relativistic regime for arbitrary longitudinal refractive index are estimated and presented in this work. These functions, that are know as Shkarofsky functions in the case of real frequency, are estimated using a new method that avoids the singularities that appear in previous calculations shown in the preceding literature. These results can be used to obtain the properties of plasma instabilities in the weakly relativistic regime. (Author) 14 refs

Evaluation of radiation shielding performance in sea transport of radioactive material by using simple calculation method

International Nuclear Information System (INIS)

Odano, N.; Ohnishi, S.; Sawamura, H.; Tanaka, Y.; Nishimura, K.

2004-01-01

A modified code system based on the point kernel method was developed to use in evaluation of shielding performance for maritime transport of radioactive material. For evaluation of shielding performance accurately in the case of accident, it is required to preciously model the structure of transport casks and shipping vessel, and source term. To achieve accurate modelling of the geometry and source term condition, we aimed to develop the code system by using equivalent information regarding structure and source term used in the Monte Carlo calculation code, MCNP. Therefore, adding an option to use point kernel method to the existing Monte Carlo code, MCNP4C, the code system was developed. To verify the developed code system, dose rate distribution in an exclusive shipping vessel to transport the low level radioactive wastes were calculated by the developed code and the calculated results were compared with measurements and Monte Carlo calculations. It was confirmed that the developed simple calculation method can obtain calculation results very quickly with enough accuracy comparing with the Monte Carlo calculation code MCNP4C

The influence of paint dispersion parameters on the spectral selectivity of black-pigmented coatings

Energy Technology Data Exchange (ETDEWEB)

Gunde, M.K.; Orel, Z.C. [National Institute of Chemistry, Ljubljana (Slovenia); Hutchins, M.G. [Oxford Brookes University, Oxford (United Kingdom). School of Engineering

2003-10-31

The optical properties of variously prepared black-pigmented solar absorbing paints were calculated in terms of their effective absorption and scattering abilities. The phenomenological two-parameter Kubelka-Munk effective medium theory was applied. Paints with the same composition were prepared for different degrees of pigment dispersion and characterized by the average size of pigment agglomerates present in the pigment/vehicle system. Prepared paints were applied to aluminium foil in two ways, by coil coating and by spraying. The size of coarse pigment particles and the paint application technique influence the spectral selectivity and thus determine the final performance of spectrally selective surfaces. (author)

Dispersion Analysis of the ADI-FDTD and S-FDTD Methods

OpenAIRE

KUŞAF, Mehmet; ÖZTOPRAK, Abdullah Y.

2014-01-01

Numerical dispersion performances of ADI-FDTD and S-FDTD methods have been compared. It has been shown that for time steps below the stability limits of the S-FDTD method it has much better dispersion performance compared with the ADI-FDTD method and that the S-FDTD method can be usefully employed for space increments in the order of l/25 to l/50.

Experimental study of a model and parameters calculating annual mean atmospheric dispersion factor for a nuclear power plant to be build in coastal site

International Nuclear Information System (INIS)

Hu Erbang; Chen Jiayi; Zhang Maoshuan; Gao Zhanrong; Yao Rentai; Jia Peirong; Qiao Qingdang

1999-01-01

The author tries to develop a new model calculating annual mean atmospheric dispersion factor for a nuclear power plant to be build in coastal site based on field experiments. This model considers not only the difference between shore ward and off-shore but also the comprehensive effect of following factors: mixed layer and thermal internal boundary layer, mixing release and variation of diffusion parameters due to the distance from coast and so on. The various parameters needed in the model are obtained from the field atmospheric experiments done on the NPP site during 1995∼1996. There dimension joint frequency is got from wind and temperature measurements at 4 heights of a tower of 100 m; diffusion parameters shore ward and off-shore from turbulent measurement and wind tunnel simulation test; the parameters relative to sea and land breeze and thermal internal boundary layer are obtained from tests with low altitude radiosonde and lost balloon at 3 sites during two periods of Summer and Winter. Finally a comparison of the results given by this model and commonly used model provided by relative guides is done. The comparison shows that about 1 times under estimation is found for the maximum of annual mean atmospheric dispersion factor in common model because the effect from thermal internal boundary layer and other factors are neglected

NUMERICAL SIMULATION OF POLLUTION DISPERSION IN URBAN STREET

Directory of Open Access Journals (Sweden)

M. M. Biliaiev

2017-08-01

Full Text Available Purpose. The scientific paper solves the question of 2D numerical model development, which allows quick computation of air pollution in streets from vehicles. The aim of the work is numerical model development that would enable to predict the level of air pollution by using protective barriers along the road. Methodology. The developed model is based on the equation of inviscid flow and equation of pollutant transfer. Potential equation is used to compute velocity field of air flow near road in the case of protection barriers application. To solve equation for potential flow implicit difference scheme of «conditional approximation« is used. The implicit change – triangle difference scheme is used to solve equation of convective – diffusive dispersion. Numerical integration is carried out using the rectangular difference grid. Method of porosity technique («markers method» is used to create the form of comprehensive computational region. Emission of toxic gases from vehicle is modeled using Delta function for point source.Findings. Authors developed 2D numerical model. It takes into account the main physical factors affecting the process of dispersion of pollutants in the atmosphere when emissions of vehicle including protection barriers near the road. On the basis of the developed numerical models a computational experiment was performed to estimate the level of air pollution in the street. Originality. A numerical model has been created. It makes it possible to calculate 2D aerodynamics of the wind flow in the presence of noises and the process of mass transfer of toxic gas emissions from the motorway. The model allows taking into account the presence of the car on the road, the form of a protective barrier, the presence of a curb. Calculations have been performed to determine the contamination zone formed at the protective barrier that is located at the motorway. Practical value. An effective numerical model that can be applied in the

The particulate matter dispersion studies from a local palm oil mill

International Nuclear Information System (INIS)

Abdullah, L.C.; Wong, L. L.; Amnorzahira, A.; Sa'ari, M.; Abdul Rashid, M. S.; Salmiaton Ali

2006-01-01

The appearance of industrial emissions and the degradation of scenic vistas are two characteristics of air pollution that humans object. Reduction in visibility suggests worsening pollution levels. The emissions from mobile source and stationary source are the major source of air pollutions contribution in Malaysia. Suspended particulate matter (SPM). The consequence of increasing the particulate concentrations, the particulate matter dissolves with vapour and grows into droplets when the humidity exceeds approximately 70% and causing opaque situation know as haze. This work focuses on the dispersion particulate matter from palm oil mill. The data obtained serves the purpose of modeling the transport of particulate matter for obtaining permits and prevention of significant deterioration (PSD) to the environment. Gaussian Plume Model from a point source, subject to various atmospheric conditions is used to calculate particulate matter concentration then display the distribution of plume dispersion using geographic information system (GIS). The calculated particulate matter concentration is evaluated using Transilient Matrice function. Atmospheric Stability, mixing height, wind direction, wind speed, natural and artificial features play an important role in dispersion process. High concentration area exhibits immediately under prevailing wind direction. (Author)

A model for calculating expected performance of the Apollo unified S-band (USB) communication system

Science.gov (United States)

Schroeder, N. W.

1971-01-01

A model for calculating the expected performance of the Apollo unified S-band (USB) communication system is presented. The general organization of the Apollo USB is described. The mathematical model is reviewed and the computer program for implementation of the calculations is included.

Effect of preparation methods on dispersion stability and electrochemical performance of graphene sheets

International Nuclear Information System (INIS)

Chen, Li; Li, Na; Zhang, Mingxia; Li, Pinnan; Lin, Zhengping

2017-01-01

Chemical exfoliation is one of the most important strategies for preparing graphene. The aggregation of graphene sheets severely prevents graphene from exhibiting excellent properties. However, there are no attempts to investigate the effect of preparation methods on the dispersity of graphene sheets. In this study, three chemical exfoliation methods, including Hummers method, modified Hummers method, and improved method, were used to prepare graphene sheets. The influence of preparation methods on the structure, dispersion stability in organic solvents, and electrochemical properties of graphene sheets were investigated. Fourier transform infrared microscopy, Raman spectra, transmission electron microscopy, and UV–vis spectrophotometry were employed to analyze the structure of the as-prepared graphene sheets. The results showed that graphene prepared by improved method exhibits excellent dispersity and stability in organic solvents without any additional stabilizer or modifier, which is attributed to the completely exfoliation and regular structure. Moreover, cyclic voltammetric and electrochemical impedance spectroscopy measurements showed that graphene prepared by improved method exhibits superior electrochemical properties than that prepared by the other two methods. - Graphical abstract: Graphene oxides with different oxidation degree were obtained via three methods, and then graphene with different crystal structures were created by chemical reduction of exfoliated graphene oxides. - Highlights: • Graphene oxides with different oxidation degree were obtained via three oxidation methods. • The influence of oxidation methods on microstructure of graphene was investigated. • The effect of oxidation methods on dispersion stability of graphene was investigated. • The effect of oxidation methods on electrochemical properties of graphene was discussed.

Effect of preparation methods on dispersion stability and electrochemical performance of graphene sheets

Energy Technology Data Exchange (ETDEWEB)

Chen, Li, E-mail: chenli1981@lut.cn; Li, Na; Zhang, Mingxia; Li, Pinnan; Lin, Zhengping

2017-05-15

Chemical exfoliation is one of the most important strategies for preparing graphene. The aggregation of graphene sheets severely prevents graphene from exhibiting excellent properties. However, there are no attempts to investigate the effect of preparation methods on the dispersity of graphene sheets. In this study, three chemical exfoliation methods, including Hummers method, modified Hummers method, and improved method, were used to prepare graphene sheets. The influence of preparation methods on the structure, dispersion stability in organic solvents, and electrochemical properties of graphene sheets were investigated. Fourier transform infrared microscopy, Raman spectra, transmission electron microscopy, and UV–vis spectrophotometry were employed to analyze the structure of the as-prepared graphene sheets. The results showed that graphene prepared by improved method exhibits excellent dispersity and stability in organic solvents without any additional stabilizer or modifier, which is attributed to the completely exfoliation and regular structure. Moreover, cyclic voltammetric and electrochemical impedance spectroscopy measurements showed that graphene prepared by improved method exhibits superior electrochemical properties than that prepared by the other two methods. - Graphical abstract: Graphene oxides with different oxidation degree were obtained via three methods, and then graphene with different crystal structures were created by chemical reduction of exfoliated graphene oxides. - Highlights: • Graphene oxides with different oxidation degree were obtained via three oxidation methods. • The influence of oxidation methods on microstructure of graphene was investigated. • The effect of oxidation methods on dispersion stability of graphene was investigated. • The effect of oxidation methods on electrochemical properties of graphene was discussed.

H-Index of Astrophysicists at Raman Research Institute: Performance of Different Calculators

Science.gov (United States)

Meera, B. M.; Manjunath, M.

2012-08-01

H-index, a single number proposed by J. E. Hirsch in 2005 has gained popularity as an index number to measure the research performance of individuals, institutions, universities, etc. There are many calculators to derive the h-in dex number, such as Google Scholar, Web of Science, Scopus, etc. However, h-index can be calculated manually, provided we have access to a complete list of publications of a scientist and the number of citations received by them. It is observed that h-index for a given scientist at a ny given point of time differs from one calculator to the other. Here is an attempt to calculate the H-index of scientists of the Astronomy and Astrophysics Group at Raman Research Institute using Google Scholar Free calculator, Web of Science Paid calculator and The SAO/NASA As trophysics Data System manual calculation and comparison of the results. Application of this h- index phenomenon to the research output of RRI scientists in a group is done while keeping in mi nd Hirsch's systematic in vestigation to predict the position of a scientist using h-index in physics. It is believed that the higher the academic age of a scientist, the higher will be the h-index. An attempt is made to find whether this assumption is true with respect to the sample studied by including the superannuated scientists from Astronomy and Astrophysics Group at Raman Research Institute under the purview of this study.

Prediction of HIFU Propagation in a Dispersive Medium via Khokhlov–Zabolotskaya–Kuznetsov Model Combined with a Fractional Order Derivative

Directory of Open Access Journals (Sweden)

Shilei Liu

2018-04-01

Full Text Available High intensity focused ultrasound (HIFU has been proven to be promising in non-invasive therapies, in which precise prediction of the focused ultrasound field is crucial for its accurate and safe application. Although the Khokhlov–Zabolotskaya–Kuznetsov (KZK equation has been widely used in the calculation of the nonlinear acoustic field of HIFU, some deviations still exist when it comes to dispersive medium. This problem also exists as an obstacle to the Westervelt model and the Spherical Beam Equation. Considering that the KZK equation is the most prevalent model in HIFU applications due to its accurate and simple simulation algorithms, there is an urgent need to improve its performance in dispersive medium. In this work, a modified KZK (mKZK equation derived from a fractional order derivative is proposed to calculate the nonlinear acoustic field in a dispersive medium. By correcting the power index in the attenuation term, this model is capable of providing improved prediction accuracy, especially in the axial position of the focal area. Simulation results using the obtained model were further compared with the experimental results from a gel phantom. Good agreements were found, indicating the applicability of the proposed model. The findings of this work will be helpful in making more accurate treatment plans for HIFU therapies, as well as facilitating the application of ultrasound in acoustic hyperthermia therapy.

Calculation method for gamma dose rates from Gaussian puffs

Energy Technology Data Exchange (ETDEWEB)

Thykier-Nielsen, S; Deme, S; Lang, E

1995-06-01

The Lagrangian puff models are widely used for calculation of the dispersion of releases to the atmosphere. Basic output from such models is concentration of material in the air and on the ground. The most simple method for calculation of the gamma dose from the concentration of airborne activity is based on the semi-infinite cloud model. This method is however only applicable for puffs with large dispersion parameters, i.e. for receptors far away from the release point. The exact calculation of the cloud dose using volume integral requires large computer time usually exceeding what is available for real time calculations. The volume integral for gamma doses could be approximated by using the semi-infinite cloud model combined with correction factors. This type of calculation procedure is very fast, but usually the accuracy is poor because only a few of the relevant parameters are considered. A multi-parameter method for calculation of gamma doses is described here. This method uses precalculated values of the gamma dose rates as a function of E{sub {gamma}}, {sigma}{sub y}, the asymmetry factor - {sigma}{sub y}/{sigma}{sub z}, the height of puff center - H and the distance from puff center R{sub xy}. To accelerate the calculations the release energy, for each significant radionuclide in each energy group, has been calculated and tabulated. Based on the precalculated values and suitable interpolation procedure the calculation of gamma doses needs only short computing time and it is almost independent of the number of radionuclides considered. (au) 2 tabs., 15 ills., 12 refs.

Calculation method for gamma dose rates from Gaussian puffs

International Nuclear Information System (INIS)

Thykier-Nielsen, S.; Deme, S.; Lang, E.

1995-06-01

The Lagrangian puff models are widely used for calculation of the dispersion of releases to the atmosphere. Basic output from such models is concentration of material in the air and on the ground. The most simple method for calculation of the gamma dose from the concentration of airborne activity is based on the semi-infinite cloud model. This method is however only applicable for puffs with large dispersion parameters, i.e. for receptors far away from the release point. The exact calculation of the cloud dose using volume integral requires large computer time usually exceeding what is available for real time calculations. The volume integral for gamma doses could be approximated by using the semi-infinite cloud model combined with correction factors. This type of calculation procedure is very fast, but usually the accuracy is poor because only a few of the relevant parameters are considered. A multi-parameter method for calculation of gamma doses is described here. This method uses precalculated values of the gamma dose rates as a function of E γ , σ y , the asymmetry factor - σ y /σ z , the height of puff center - H and the distance from puff center R xy . To accelerate the calculations the release energy, for each significant radionuclide in each energy group, has been calculated and tabulated. Based on the precalculated values and suitable interpolation procedure the calculation of gamma doses needs only short computing time and it is almost independent of the number of radionuclides considered. (au) 2 tabs., 15 ills., 12 refs

Phonon dispersion curves of fcc La

International Nuclear Information System (INIS)

Stassis, C.; Loong, C.; Zarestky, J.

1982-01-01

Large single crystals of fcc La were grown in situ and were used to study the lattice dynamics of this phase of La by coherent inelastic neutron scattering. The phonon dispersion curves have been measured along the [xi00], [xixi0], [xixixi], and [0xi1] symmetry directions at 660 and 1100 K. The T[xixixi] branch exhibits anomalous dispersion for xi>0.25 and, in addition, close to the zone boundary, the phonon frequencies of this branch decrease with decreasing temperature. This soft-mode behavior may be related to the #betta→α# transformation in La, an assumption supported by recent band-theoretical calculations of the generalized susceptibility of fcc La. At X the frequencies of the L[xi00] branch are considerably lower than those of the corresponding branch of #betta#-Ce; a similar but not as pronounced effect is observed for the frequencies of the L[xixixi] branch close to the point L. Since the calculated generalized susceptibility of fcc La exhibits strong peaks at X and L, these anomalies may be due to the renormalization of the phonon frequencies by virtual fbold-arrow-left-rightd transitions to the unoccupied 4f level in La. The data were used to evaluate the elastic constants, the phonon density of states, and the lattice specific heat at constant pressure C/sub P//sup

Calculation method for gamma-dose rates from spherical puffs

International Nuclear Information System (INIS)

Thykier-Nielsen, S.; Deme, S.; Lang, E.

1993-05-01

The Lagrangian puff-models are widely used for calculation of the dispersion of atmospheric releases. Basic output from such models are concentrations of material in the air and on the ground. The most simple method for calculation of the gamma dose from the concentration of airborne activity is based on semi-infinite cloud model. This method is however only applicable for points far away from the release point. The exact calculation of the cloud dose using the volume integral requires significant computer time. The volume integral for the gamma dose could be approximated by using the semi-infinite cloud model combined with correction factors. This type of calculation procedure is very fast, but usually the accuracy is poor due to the fact that the same correction factors are used for all isotopes. The authors describe a more elaborate correction method. This method uses precalculated values of the gamma-dose rate as a function of the puff dispersion parameter (δ p ) and the distance from the puff centre for four energy groups. The release of energy for each radionuclide in each energy group has been calculated and tabulated. Based on these tables and a suitable interpolation procedure the calculation of gamma doses takes very short time and is almost independent of the number of radionuclides. (au) (7 tabs., 7 ills., 12 refs.)

Disperse reinforced concrete used in obtaining prefabricated elements for roads

Directory of Open Access Journals (Sweden)

Bogdan MEZEI

2014-07-01

Full Text Available Concrete is the most used material in construction. By improving the performance of materials and of technologies, concretes with outstanding performances were also developed, in the past two decades. Concrete with dispersed reinforcement represents a new generation of reinforced concrete that combines a good behavior of concrete compressive strength with an increased tensile strength of steel fibers. Using this material, monolithic and prefabricated concrete elements with high mechanical strengths and high durability can be obtained. Technological processes for preparation of concrete with dispersed reinforcement are similar to the conventional methods and do not involve using additional equipment for dosing the dispersed reinforcement. The study aimed the development of road plates made with optimized disperse- reinforced concrete. The first tests were done on plates from the gutter roadway, having a classic reinforcement, using different percentages of fibre reinforcement in the concrete composition, leading to the development of a new optimized economical solution. The results prove the enhanced characteristics of the disperse-reinforced concrete versus conventional concrete, and hence of the developed concrete plates.

First vapor explosion calculations performed with MC3D thermal-hydraulic code

Energy Technology Data Exchange (ETDEWEB)

Brayer, C.; Berthoud, G. [CEA Centre d`Etudes de Grenoble, 38 (France). Direction des Reacteurs Nucleaires

1998-01-01

This paper presents the first calculations performed with the `explosion` module of the multiphase computer code MC3D, which is devoted to the fine fragmentation and explosion phase of a fuel coolant interaction. A complete description of the physical laws included in this module is given. The fragmentation models, taking into account two fragmentation mechanisms, a thermal one and an hydrodynamic one, are also developed here. Results to some calculations to test the numerical behavior of MC3D and to test the explosion models in 1D or 2D are also presented. (author)

Expected performance properties of the ASDEX upgrade toroidal field magnet derived from calculations and materials investigations

International Nuclear Information System (INIS)

Streibl, B.; Mukherjee, S.

1989-11-01

This is a summary of the TF-magnet calculation results for the 1984 phase-II proposal including supplements (also considering disturbances) of the performance of ASDEX Upgrade. Calculation results are as reliable as the assumptions incorporated, so that investigations of materials and design components were always used to complete the calculations. (orig.) [de

Synthesis and membrane performance characterization of self-emulsified waterborne nitrocellulose dispersion modified with castor oil

Energy Technology Data Exchange (ETDEWEB)

Su, Xiuxia; Zhao, Qingxiao, E-mail: 934481965@qq.com; Zhang, Dan; Dong, Wei

2015-11-30

Graphical abstract: - Highlights: • Waterborne nitrocellulose dispersion modified with castor oil (CWNC) was synthesized successfully. • It is a kind of environment-friendly coatings, in which volatile organic content (VOC) is near zero. • Castor oil used as an internal crosslinking agent for WNC improved the properties of the coating. • When the mass fraction of castor oil to total reactants is 7%, emulsion and the coating are of the best comprehensive performance. - Abstract: Waterborne nitrocellulose dispersion modified with castor oil (CWNC) was designed and successfully synthesized by self emulsification and reaction among isophorone diisocyanate (IPDI) trimer, dimethylol propionic acid (DMPA), nitrocellulose (NC) and castor oil (C.O.). The CWNC was characterized by transmission electron microscope (TEM), Fourier transform infrared (FTIR) spectroscopy and thermal gravimetric analysis (TGA), etc. The particle size of CWNC increased with the increase of mass fraction of castor oil to total reactants, ω (C.O.). The morphology of particles is an approximate core–shell structure indicated by TEM. FTIR confirmed that the reactions (i.e. IPDI trimer and castor oil, IPDI trimer and NC) occurred, the NCO groups of IPDI trimer were consumed totally and the backbone of NC was retained. The water contact angle measurements confirmed that introduced castor oil increased hydrophobicity of the film, thereby increasing the contact angle. TGA revealed that the CWNC film had better thermal resistance.

Synthesis and membrane performance characterization of self-emulsified waterborne nitrocellulose dispersion modified with castor oil

International Nuclear Information System (INIS)

Su, Xiuxia; Zhao, Qingxiao; Zhang, Dan; Dong, Wei

2015-01-01

Graphical abstract: - Highlights: • Waterborne nitrocellulose dispersion modified with castor oil (CWNC) was synthesized successfully. • It is a kind of environment-friendly coatings, in which volatile organic content (VOC) is near zero. • Castor oil used as an internal crosslinking agent for WNC improved the properties of the coating. • When the mass fraction of castor oil to total reactants is 7%, emulsion and the coating are of the best comprehensive performance. - Abstract: Waterborne nitrocellulose dispersion modified with castor oil (CWNC) was designed and successfully synthesized by self emulsification and reaction among isophorone diisocyanate (IPDI) trimer, dimethylol propionic acid (DMPA), nitrocellulose (NC) and castor oil (C.O.). The CWNC was characterized by transmission electron microscope (TEM), Fourier transform infrared (FTIR) spectroscopy and thermal gravimetric analysis (TGA), etc. The particle size of CWNC increased with the increase of mass fraction of castor oil to total reactants, ω (C.O.). The morphology of particles is an approximate core–shell structure indicated by TEM. FTIR confirmed that the reactions (i.e. IPDI trimer and castor oil, IPDI trimer and NC) occurred, the NCO groups of IPDI trimer were consumed totally and the backbone of NC was retained. The water contact angle measurements confirmed that introduced castor oil increased hydrophobicity of the film, thereby increasing the contact angle. TGA revealed that the CWNC film had better thermal resistance.

Multispectral diagnostic imaging of the iris in pigment dispersion syndrome.

Science.gov (United States)

Roberts, Daniel K; Lukic, Ana; Yang, Yongyi; Wilensky, Jacob T; Wernick, Miles N

2012-08-01

To determine if wavelength selection with near infrared iris imaging may enhance iris transillumination defects (ITDs) in pigment dispersion syndrome. An experimental apparatus was used to acquire iris images in 6 African-American (AA) and 6 White patients with pigment dispersion syndrome. Light-emitting diode probes of 6 different spectral bands (700 to 950 nm) were used to project light into patients' eyes. Iris patterns were photographed, ITD regions of interest were outlined, and region of interest contrasts were calculated for each spectral band. Contrasts varied as a function of wavelength (Ppigmented eyes may be slightly longer than for less pigmented eyes.

Fundamental aspects of solid dispersion technology for poorly soluble drugs

Directory of Open Access Journals (Sweden)

Yanbin Huang

2014-02-01

Full Text Available The solid dispersion has become an established solubilization technology for poorly water soluble drugs. Since a solid dispersion is basically a drug–polymer two-component system, the drug–polymer interaction is the determining factor in its design and performance. In this review, we summarize our current understanding of solid dispersions both in the solid state and in dissolution, emphasizing the fundamental aspects of this important technology.

Permeability and dispersivity of variable-aperture fracture systems

International Nuclear Information System (INIS)

Tsang, Y.W.; Tsang, C.F.

1990-01-01

A number of recent experiments have pointed out the need of including the effects of aperture variation within each fracture in predicting flow and transport properties of fractured media. This paper introduces a new approach in which medium properties, such as the permeability to flow and dispersivity in tracer transport, are correlated to only three statistical parameters describing the fracture aperture probability distribution and the aperture spatial correlation. We demonstrate how saturated permeability and relative permeabilities for flow, as well as dispersion for solute transport in fractures may be calculated. We are in the process of examining the applicability of these concepts to field problems. Results from the evaluation and analysis of the recent Stripa-3D field data are presented. 13 refs., 10 figs

Matrix solid-phase dispersion coupled with homogeneous ionic liquid microextraction for the determination of sulfonamides in animal tissues using high-performance liquid chromatography.

Science.gov (United States)

Wang, Zhibing; He, Mengyu; Jiang, Chunzhu; Zhang, Fengqing; Du, Shanshan; Feng, Wennan; Zhang, Hanqi

2015-12-01

Matrix solid-phase dispersion coupled with homogeneous ionic liquid microextraction was developed and applied to the extraction of some sulfonamides, including sulfamerazine, sulfamethazine, sulfathiazole, sulfachloropyridazine, sulfadoxine, sulfisoxazole, and sulfaphenazole, in animal tissues. High-performance liquid chromatography was applied to the separation and determination of the target analytes. The solid sample was directly treated by matrix solid-phase dispersion and the eluate obtained was treated by homogeneous ionic liquid microextraction. The ionic liquid was used as the extraction solvent in this method, which may result in the improvement of the recoveries of the target analytes. To avoid using organic solvent and reduce environmental pollution, water was used as the elution solvent of matrix solid-phase dispersion. The effects of the experimental parameters on recoveries, including the type and volume of ionic liquid, type of dispersant, ratio of sample to dispersant, pH value of elution solvent, volume of elution solvent, amount of salt in eluate, amount of ion-pairing agent (NH4 PF6 ), and centrifuging time, were evaluated. When the present method was applied to the analysis of animal tissues, the recoveries of the analytes ranged from 85.4 to 118.0%, and the relative standard deviations were lower than 9.30%. The detection limits for the analytes were 4.3-13.4 μg/kg. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dispersion bias, dispersion effect, and the aerosol-cloud conundrum

International Nuclear Information System (INIS)

Liu Yangang; Daum, Peter H; Guo Huan; Peng Yiran

2008-01-01

This work examines the influences of relative dispersion (the ratio of the standard deviation to the mean radius of the cloud droplet size distribution) on cloud albedo and cloud radiative forcing, derives an analytical formulation that accounts explicitly for the contribution from droplet concentration and relative dispersion, and presents a new approach to parameterize relative dispersion in climate models. It is shown that inadequate representation of relative dispersion in climate models leads to an overestimation of cloud albedo, resulting in a negative bias of global mean shortwave cloud radiative forcing that can be comparable to the warming caused by doubling CO 2 in magnitude, and that this dispersion bias is likely near its maximum for ambient clouds. Relative dispersion is empirically expressed as a function of the quotient between cloud liquid water content and droplet concentration (i.e., water per droplet), yielding an analytical formulation for the first aerosol indirect effect. Further analysis of the new expression reveals that the dispersion effect not only offsets the cooling from the Twomey effect, but is also proportional to the Twomey effect in magnitude. These results suggest that unrealistic representation of relative dispersion in cloud parameterization in general, and evaluation of aerosol indirect effects in particular, is at least in part responsible for several outstanding puzzles of the aerosol-cloud conundrum: for example, overestimation of cloud radiative cooling by climate models compared to satellite observations; large uncertainty and discrepancy in estimates of the aerosol indirect effect; and the lack of interhemispheric difference in cloud albedo.

CHEMICAL OIL SPILL DISPERSANTS: UPDATE STATE-OF-THE- ART ON MECHANISM OF ACTION AND LABORATORY TESTING FOR PERFORMANCE

Science.gov (United States)

Chemical dispersants are formulations designed to facilitate dispersion of an oil slick into small droplets that disperse to non-problematic concentrations in an underlying water column. This project had two primary objectives: (1) update information on mechanisms of action of ...

Irradiation performance of uranium-molybdenum alloy dispersion fuels; Desempenho sob irradiacao de elementos combustiveis do tipo U-Mo

Energy Technology Data Exchange (ETDEWEB)

Almeida, Cirila Tacconi de

2005-07-01

The U-Mo-Al dispersion fuels of Material Test Reactors (MTR) are analyzed in terms of their irradiation performance. The irradiation performance aspects are associated to the neutronic and thermal hydraulics aspects to propose a new core configuration to the IEA-R1 reactor of IPEN-CNEN/SP using U-Mo-Al fuels. Core configurations using U-10Mo-Al fuels with uranium densities variable from 3 to 8 gU/cm{sup 3} were analyzed with the computational programs Citation and MTRCR-IEA R1. Core configurations for fuels with uranium densities variable from 3 to 5 gU/cm{sup 3} showed to be adequate to use in IEA-R1 reactor e should present a stable in reactor performance even at high burn-up. (author)

An assessment of first-order stochastic dispersion theories in porous media

Science.gov (United States)

Chin, David A.

1997-12-01

Random realizations of three-dimensional exponentially correlated hydraulic conductivity fields are used in a finite-difference numerical flow model to calculate the mean and covariance of the corresponding Lagrangian-velocity fields. The dispersivity of the porous medium is then determined from the Lagrangian-velocity statistics using the Taylor definition. This estimation procedure is exact, except for numerical errors, and the results are used to assess the accuracy of various first-order dispersion theories in both isotropic and anisotropic porous media. The results show that the Dagan theory is by far the most robust in both isotropic and anisotropic media, producing accurate values of the principal dispersivity components for σy as high as 1.0, In the case of anisotropic media where the flow is at an angle to the principal axis of hydraulic conductivity, it is shown that the dispersivity tensor is rotated away from the flow direction in the non-Fickian phase, but eventually coincides with the flow direction in the Fickian phase.

The role of minor alloying elements on the stability and dispersion of yttria nanoclusters in nanostructured ferritic alloys: An ab initio study

International Nuclear Information System (INIS)

Murali, D.; Panigrahi, B.K.; Valsakumar, M.C.; Chandra, Sharat; Sundar, C.S.; Raj, Baldev

2010-01-01

Nanostructured ferritic alloys derive their strength from the dispersion of oxide nanoclusters in the ferritic matrix. We have explored the relative role of minor alloying elements like Ti and Zr on the stability of nanoclusters of vacancy-Y-Ti-O by density functional theory calculations and shown that the binding energy of these clusters increases when we replace Ti with Zr. This could imply faster nucleation of the nanoclusters which, in turn, may lead to finer dispersion of nanoclusters resulting in improved performance of ferritic alloys. Further, we show a core/shell structure for these nanoclusters in which the core is enriched in Y, O, Ti while the shell is enriched in Cr.

Angular dependent anisotropic terahertz response of vertically aligned multi-walled carbon nanotube arrays with spatial dispersion

Science.gov (United States)

Zhou, Yixuan; Yiwen, E.; Xu, Xinlong; Li, Weilong; Wang, Huan; Zhu, Lipeng; Bai, Jintao; Ren, Zhaoyu; Wang, Li

2016-12-01

Spatial dispersion effect of aligned carbon nanotubes (CNTs) in the terahertz (THz) region has significance for both theoretical and applied consideration due to the unique intrinsically anisotropic physical properties of CNTs. Herein, we report the angular dependent reflection of p-polarized THz wave from vertically aligned multi-walled CNT arrays in both experiment and theory. The spectra indicate that the reflection depends on the film thickness of vertically aligned CNTs, the incident angle, and the frequency. The calculation model is based on the spatial dispersion effect of aligned CNTs and performed with effective impedance method and the Maxwell-Garnett approximation. The results fit well with the experiment when the thickness of CNT film is thin, which reveals a coherent superposition mechanism of the CNT surface reflection and CNTs/Si interface reflection. For thick CNT films, the CNTs/Si interface response determines the reflection at small incident angles, while the CNTs surface effect dominates at large incident angles. This work investigates the spatial dispersion effect of vertically aligned CNT arrays in the THz region, and paves a way for potential anisotropic THz applications based on CNTs with oblique incidence requirements.

Thermodynamic Approach to Boron Nitride Nanotube Solubility and Dispersion

Science.gov (United States)

Tiano, A. L.; Gibbons, L.; Tsui, M.; Applin, S. I.; Silva, R.; Park, C.; Fay, C. C.

2016-01-01

Inadequate dispersion of nanomaterials is a critical issue that significantly limits the potential properties of nanocomposites and when overcome, will enable further enhancement of material properties. The most common methods used to improve dispersion include surface functionalization, surfactants, polymer wrapping, and sonication. Although these approaches have proven effective, they often achieve dispersion by altering the surface or structure of the nanomaterial and ultimately, their intrinsic properties. Co-solvents are commonly utilized in the polymer, paint, and art conservation industries to selectively dissolve materials. These co-solvents are utilized based on thermodynamic interaction parameters and are chosen so that the original materials are not affected. The same concept was applied to enhance the dispersion of boron nitride nanotubes (BNNTs) to facilitate the fabrication of BNNT nanocomposites. Of the solvents tested, dimethylacetamide (DMAc) exhibited the most stable, uniform dispersion of BNNTs, followed by N,N-dimethylformamide (DMF), acetone, and N-methyl-2-pyrrolidone (NMP). Utilizing the known Hansen solubility parameters of these solvents in comparison to the BNNT dispersion state, a region of good solubility was proposed. This solubility region was used to identify co-solvent systems that led to improved BNNT dispersion in poor solvents such as toluene, hexane, and ethanol. Incorporating the data from the co-solvent studies further refined the proposed solubility region. From this region, the Hansen solubility parameters for BNNTs are thought to lie at the midpoint of the solubility sphere: 16.8, 10.7, and 9.0 MPa(exp 1/2) for delta d, delta p, and delta h, respectively, with a calculated Hildebrand parameter of 21.8 MPa)exp 1/2).

Calculation of particulate dispersion in a design-basis tornadic storm from the Exxon Nuclear Company, Richland, Washington

Energy Technology Data Exchange (ETDEWEB)

Pepper, D.W.

1978-07-01

A three-dimensional numerical model is used to calculate ground-level air concentration and deposition (due to precipitation scavenging) after a hypothetical tornado strike at the Exxon Nuclear Company at Richland, Washington. Plutonium particles less than 20 ..mu..m in diameter are assumed to be lifted into the tornadic storm cell by the vortex. The rotational characteristics of the tornadic storm are embedded within the larger mesoscale flow of the storm system. The design-basis translational wind values are based on probabilities associated with existing records of tornado strikes in the vicinity of the plant site. Turbulence exchange coefficients are based on empirical values deduced from experimental data in severe storms and from theoretical assumptions obtained from the literature. The method of moments is used to incorporate subgrid-scale resolution of the concentration within a grid cell volume. This method is a quasi-Lagrangian scheme which minimizes numerical error associated with advection. In all case studies, the effects of updrafts and downdrafts, coupled with scavenging of the particulates by precipitation, account for most of the material being deposited within 20 to 45 km downwind of the plant site. Ground-level isopleths in the x-y plane show that most of the material is deposited behind and slightly to the left of the centerline trajectory of the storm. Approximately 5% of the material is dispersed into the stratosphere and anvil section of the storm.

Calculation of particulate dispersion in a design-basis tornadic storm from the Exxon Nuclear Company, Richland, Washington

International Nuclear Information System (INIS)

Pepper, D.W.

1978-07-01

A three-dimensional numerical model is used to calculate ground-level air concentration and deposition (due to precipitation scavenging) after a hypothetical tornado strike at the Exxon Nuclear Company at Richland, Washington. Plutonium particles less than 20 μm in diameter are assumed to be lifted into the tornadic storm cell by the vortex. The rotational characteristics of the tornadic storm are embedded within the larger mesoscale flow of the storm system. The design-basis translational wind values are based on probabilities associated with existing records of tornado strikes in the vicinity of the plant site. Turbulence exchange coefficients are based on empirical values deduced from experimental data in severe storms and from theoretical assumptions obtained from the literature. The method of moments is used to incorporate subgrid-scale resolution of the concentration within a grid cell volume. This method is a quasi-Lagrangian scheme which minimizes numerical error associated with advection. In all case studies, the effects of updrafts and downdrafts, coupled with scavenging of the particulates by precipitation, account for most of the material being deposited within 20 to 45 km downwind of the plant site. Ground-level isopleths in the x-y plane show that most of the material is deposited behind and slightly to the left of the centerline trajectory of the storm. Approximately 5% of the material is dispersed into the stratosphere and anvil section of the storm

Dispersion, sorption and photodegradation of petroleum hydrocarbons in dispersant-seawater-sediment systems.

Science.gov (United States)

Zhao, Xiao; Liu, Wen; Fu, Jie; Cai, Zhengqing; O'Reilly, S E; Zhao, Dongye

2016-08-15

This work examined effects of model oil dispersants on dispersion, sorption and photodegradation of petroleum hydrocarbons in simulated marine systems. Three dispersants (Corexit 9500A, Corexit 9527A and SPC 1000) were used to prepare dispersed water accommodated oil (DWAO). While higher doses of dispersants dispersed more n-alkanes and PAHs, Corexit 9500A preferentially dispersed C11-C20 n-alkanes, whereas Corexit 9527A was more favorable for smaller alkanes (C10-C16), and SPC 1000 for C12-C28 n-alkanes. Sorption of petroleum hydrocarbons on sediment was proportional to TPH types/fractions in the DWAOs. Addition of 18mg/L of Corexit 9500A increased sediment uptake of 2-3 ring PAHs, while higher dispersant doses reduced the uptake, due to micelle-enhanced solubilization effects. Both dispersed n-alkanes and PAHs were susceptible to photodegradation under simulated sunlight. For PAHs, both photodegradation and photo-facilitated alkylation were concurrently taking place. The information can facilitate sounder assessment of fate and distribution of dispersed oil hydrocarbons in marine systems. Copyright © 2016 Elsevier Ltd. All rights reserved.

Development and Physicochemical Characterization of Sirolimus Solid Dispersions Prepared by Solvent Evaporation Method

Directory of Open Access Journals (Sweden)

Shahram Emami

2014-12-01

Full Text Available Purpose: The aim of the present investigation was preparation and characterization of sirolimus solid dispersions by solvent evaporation technique to improve its dissolution properties. Methods: Polyvinylpyrrolidone (PVP, Poloxamer 188 and Cremophore RH40 were used to prepare the solid dispersions of sirolimus. In vitro dissolution study using USP type I apparatus, were performed in distilled water (containing SLS 0.4% for pure sirolimus, physical mixtures, Rapamune and prepared solid dispersions. The characterization of solid dispersions was performed using Fourier Transform Infrared (FTIR Spectroscopy and Differential Scanning Calorimetry (DSC. Results: More than 75% of sirolimus was released within 30 minutes from all prepared solid dispersions. The dissolution rate of all prepared solid dispersion powders were more than physical mixtures. The absence of sirolimus peak in the DSC spectrum of solid dispersions indicated the conversion of crystalline form of sirolimus into amorphous form. The results from FT-IR spectroscopy showed that there was no significant change in the FT-IR spectrum of solid dispersions indicating absence of well-defined interaction between drug and carriers. Conclusion: It was concluded that solid dispersion method, using PVP, Poloxamer 188 and Cremophore RH40 can improve dissolution rate of sirolimus.

On the accuracy of DFT methods in reproducing ligand substitution energies for transition metal complexes in solution: The role of dispersive interactions

KAUST Repository

Jacobsen, Heiko

2011-12-23

The performance of a series of density functionals when tested on the prediction of the phosphane substitution energy of transition metal complexes is evaluated. The complexes Fe-BDA and Ru-COD (BDA=benzylideneacetone, COD=cyclooctadiene) serve as reference systems, and calculated values are compared with the experimental values in THF as obtained from calorimetry. Results clearly indicate that functionals specifically developed to include dispersion interactions usually outperform other functionals when BDA or COD substitution is considered. However, when phosphanes of different sizes are compared, functionals including dispersion interactions, at odd with experimental evidence, predict that larger phosphanes bind more strongly than smaller phosphanes, while functionals not including dispersion interaction reproduce the experimental trends with reasonable accuracy. In case of the DFT-D functionals, inclusion of a cut-off distance on the dispersive term resolves this issue, and results in a rather robust behavior whatever ligand substitution reaction is considered. Ne quid nimis: Describing chemical reactions in solution by computational techniques developed for gas-phase scenarios might produce erroneous results (see histogram). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluating the atmospheric dispersion characteristics of Suez Canal area

International Nuclear Information System (INIS)

Aly, A.I.M.; Sabek, G.; Abd El-Aal, M.; El-Ghamry, M.

1988-01-01

The atmospheric dispersion characteristics of Suez Canal area were determined for subsequent estimation of the environmental impacts of transporting radioactive or hazardous material through the Suez Canal and for the study of environmental pollution resulting from fossil power plants. The atmospheric stability classes were determined at three stations: Port Said, Ismailia and Port Tawfiek (Suez). For achieving this purpose, a computer program was developed through which the atmospheric stability classes A - F and insolation were determined by combining the measured meteorological parameters and the sun elevation which was calculated by another developed computer program with the help of astronomical tables. The results show that the most frequent stability class at Port-Said and Suez is stability class D (neutral condition), whereas at Ismailia area the moderately stable class F, which is the inversion condition with unfavourable dispersion characteristics, is prevailing. The determination of the frequency of stability classes will make it possible to calculate the concentration of a pollutant at a given distance from the source and therefore will be used in dose assessment

The Dispersal and Persistence of Invasive Marine Species

Science.gov (United States)

Glick, E. R.; Pringle, J.

2007-12-01

The spread of invasive marine species is a continuing problem throughout the world, though not entirely understood. Why do some species invade more easily than the rest? How are the range limits of these species set? Recent research (Byers & Pringle 2006, Pringle & Wares 2007) has produced retention criteria that determine whether a coastal species with a benthic adult stage and planktonic larvae can be retained within its range and invade in the direction opposite that of the mean current experienced by the larvae (i.e. upstream). These results however, are only accurate for Gaussian dispersal kernels. For kernels whose kurtosis differs from a Gaussian's, the retention criteria becomes increasingly inaccurate as the mean current increases. Using recent results of Lutscher (2006), we find an improved retention criterion which is much more accurate for non- Gaussian dispersal kernels. The importance of considering non-Gaussian kernels is illustrated for a number of commonly used dispersal kernels, and the relevance of these calculations is illustrated by considering the northward limit of invasion of Hemigrapsus sanguineus, an important invader in the Gulf of Maine.

Phonon dispersion evolution in uniaxially strained aluminum crystal

Science.gov (United States)

Parthasarathy, Ranganathan; Misra, Anil; Aryal, Sitaram; Ouyang, Lizhi

2018-04-01

The influence of loading upon the phonon dispersion of crystalline materials could be highly nonlinear with certain particular trends that depend upon the loading path. In this paper, we have calculated the influence of [100] uniaxial strain on the phonon dispersion and group velocities in fcc aluminum using second moments of position obtained from molecular dynamics (MD) simulation at 300 K. In contrast to nonlinear monotonic variation of both longitudinal and transverse phonon frequencies along the Δ , Λ and Σ lines of the first Brillouin zone under tension, transverse phonon branches along the Λ line show inflection at specific wavevectors when the compressive strain exceeds 5%. Further, the longitudinal group velocities along the high-symmetry Δ line vary non-monotonically with strain, reaching a minimum at 5% compressive strain. Throughout the strain range studied, the equilibrium positions of atoms displace in an affine manner preserving certain static structural symmetry. We attribute the anomalies in the phonon dispersion to the non-affine evolution of second moments of atomic position, and the associated plateauing of force constants under the applied strain path.

TE/TM alternating direction scheme for wake field calculation in 3D

Energy Technology Data Exchange (ETDEWEB)

Zagorodnov, Igor [Institut fuer Theorie Elektromagnetischer Felder (TEMF), Technische Universitaet Darmstadt, Schlossgartenstrasse 8, D-64289 Darmstadt (Germany)]. E-mail: zagor@temf.de; Weiland, Thomas [Institut fuer Theorie Elektromagnetischer Felder (TEMF), Technische Universitaet Darmstadt, Schlossgartenstrasse 8, D-64289 Darmstadt (Germany)

2006-03-01

In the future, accelerators with very short bunches will be used. It demands developing new numerical approaches for long-time calculation of electromagnetic fields in the vicinity of relativistic bunches. The conventional FDTD scheme, used in MAFIA, ABCI and other wake and PIC codes, suffers from numerical grid dispersion and staircase approximation problem. As an effective cure of the dispersion problem, a numerical scheme without dispersion in longitudinal direction can be used as it was shown by Novokhatski et al. [Transition dynamics of the wake fields of ultrashort bunches, TESLA Report 2000-03, DESY, 2000] and Zagorodnov et al. [J. Comput. Phys. 191 (2003) 525]. In this paper, a new economical conservative scheme for short-range wake field calculation in 3D is presented. As numerical examples show, the new scheme is much more accurate on long-time scale than the conventional FDTD approach.

Application of dispersion and dose assessment models to the solid and liquid wastes facilities of Ezeiza radioactive waste management area

International Nuclear Information System (INIS)

Amado, Valeria A.; Lopez, Fabio O.

2007-01-01

This paper provides a dose assessment of the critic group from the near surface facility for solid and liquid waste, located at Ezeiza Atomic Center in Argentina (Ezeiza Radioactive Waste Management Area-AGE). The calculations were made using several approaches about source term. The activities for each radionuclide and facility were taken from the National Atomic Energy Commission's Inventory that corresponds to the first trimester of 2005. The radioactive decay of each radionuclide was considered. The work was performed in two steps. In the first step, using the Nuclide Dispersion in Phreatic Aquifer Model (DRAF), the dispersion of the contaminants into the phreatic aquifer until the discharge point at a superficial water course was considered. In the second step, the Consequences of Releases to the Environment Assessment Methodology Program (PC CREAM) was used for the study of radionuclides dispersion in superficial water course and dose calculations. The results from this paper show that, for every studied radionuclide, the doses involved are significantly lower than the values established by current regulations. On the other hand, those results put in evidence the utility of simple models in estimating the order of magnitude of expected concentrations and doses. It is important to highlight that the obtained results can be used only in the context of the suppositions that were made. (author) [es

Attenuation and velocity dispersion in the exploration seismic frequency band

Science.gov (United States)

Sun, Langqiu

In an anelastic medium, seismic waves are distorted by attenuation and velocity dispersion, which depend on petrophysical properties of reservoir rocks. The effective attenuation and velocity dispersion is a combination of intrinsic attenuation and apparent attenuation due to scattering, transmission response, and data acquisition system. Velocity dispersion is usually neglected in seismic data processing partly because of insufficient observations in the exploration seismic frequency band. This thesis investigates the methods of measuring velocity dispersion in the exploration seismic frequency band and interprets the velocity dispersion data in terms of petrophysical properties. Broadband, uncorrelated vibrator data are suitable for measuring velocity dispersion in the exploration seismic frequency band, and a broad bandwidth optimizes the observability of velocity dispersion. Four methods of measuring velocity dispersion in uncorrelated vibrator VSP data are investigated, which are the sliding window crosscorrelation (SWCC) method, the instantaneous phase method, the spectral decomposition method, and the cross spectrum method. Among them, the SWCC method is a new method and has satisfactory robustness, accuracy, and efficiency. Using the SWCC method, velocity dispersion is measured in the uncorrelated vibrator VSP data from three areas with different geological settings, i.e., Mallik gas hydrate zone, McArthur River uranium mines, and Outokumpu crystalline rocks. The observed velocity dispersion is fitted to a straight line with respect to log frequency for a constant (frequency-independent) Q value. This provides an alternative method for calculating Q. A constant Q value does not directly link to petrophysical properties. A modeling study is implemented for the Mallik and McArthur River data to interpret the velocity dispersion observations in terms of petrophysical properties. The detailed multi-parameter petrophysical reservoir models are built according to

Nurse Staffing Calculation in the Emergency Department - Performance-Oriented Calculation Based on the Manchester Triage System at the University Hospital Bonn.

Directory of Open Access Journals (Sweden)

Ingo Gräff

Full Text Available To date, there are no valid statistics regarding the number of full time staff necessary for nursing care in emergency departments in Europe.Staff requirement calculations were performed using state-of-the art procedures which take both fluctuating patient volume and individual staff shortfall rates into consideration. In a longitudinal observational study, the average nursing staff engagement time per patient was assessed for 503 patients. For this purpose, a full-time staffing calculation was estimated based on the five priority levels of the Manchester Triage System (MTS, taking into account specific workload fluctuations (50th-95th percentiles.Patients classified to the MTS category red (n = 35 required the most engagement time with an average of 97.93 min per patient. On weighted average, for orange MTS category patients (n = 118, nursing staff were required for 85.07 min, for patients in the yellow MTS category (n = 181, 40.95 min, while the two MTS categories with the least acute patients, green (n = 129 and blue (n = 40 required 23.18 min and 14.99 min engagement time per patient, respectively. Individual staff shortfall due to sick days and vacation time was 20.87% of the total working hours. When extrapolating this to 21,899 (2010 emergency patients, 67-123 emergency patients (50-95% percentile per month can be seen by one nurse. The calculated full time staffing requirement depending on the percentiles was 14.8 to 27.1.Performance-oriented staff planning offers an objective instrument for calculation of the full-time nursing staff required in emergency departments.

A radioisotope study of the dispersion of ferric hydroxide floc in Bass Strait

International Nuclear Information System (INIS)

Davison, A.

1983-01-01

The dispersion of ferric hydroxide floc in Bass Strait waters adjacent to Burnie, Tasmania, has been investigated using radioisotope tracer techniques. Gold-198 labelled floc was employed to follow the movement of floc produced by dilution of the iron-rich effluent from a titanium dioxide plant. Dispersion was determined under calm and storm conditions. Tidal and wind-driven currents were measured, oscillating wave generated currents were calculated, and lateral and vertical dispersion coefficients were determined. It is concluded that floc disperses episodically during storms. The agglomerated floc remains trapped in a stable seabed layer which spreads slowly at seabed level when wind velocities are less than 15 m s -1 . When wind velocities exceed this level, the wave generated oscillating currents at seabed level, 30 m below the surface, are strong enough to raise the floc into suspension where advective dispersion occurs. Since tidal currents in the area are negligible, the direction of floc movement depends on the direction of the wind-driven current during each storm

Relationship among the Voigt integral and the dispersion function of plasma. Additional methods for estimating the Voigt integral

International Nuclear Information System (INIS)

Jimenez D, H.; Flores L, H.; Cabral P, A.; Bravo O, A.

1990-05-01

A relationship among the Lorentzian-Gaussian profile convolution and the Plasma Dispersion Function is presented; thus, the methods available to calculate the latter serve also to calculate the Voigt profile. (Author)

Milkweed Seed Dispersal: A Means for Integrating Biology and Physics.

Science.gov (United States)

Bisbee, Gregory D.; Kaiser, Cheryl A.

1997-01-01

Describes an activity that integrates biology and physics concepts by experimenting with the seed dispersal of common milkweed or similar wind-dispersed seeds. Student teams collect seeds and measure several parameters, review principles of trajectory motion, perform experiments, and graph data. Students examine the ideas of…

Effects of chemical dispersants on oil physical properties and dispersion. Volume 1

International Nuclear Information System (INIS)

Khelifa, A.; Fingas, M.; Hollebone, B.P.; Brown, C.E.; Pjontek, D.

2007-01-01

Laboratory and field testing have shown that the dispersion of oil spilled in water is influenced by chemical dispersants via the modification of the interfacial properties of the oil, such as oil-brine interfacial tension (IFT). This study focused on new laboratory experiments that measured the effects on the physical properties and dispersion of oil, with particular reference to the effects of chemical dispersants on IFT and oil viscosity and the subsequent effects on oil droplet formation. Experiments were conducted at 15 degrees C using Arabian Medium, Alaska North Slope and South Louisiana crude and Corexit 9500 and Corexit 9527 chemical dispersants. The dispersants were denser than the 3 oils. The effect of IFT reduction on oil dispersion was measured and showed substantial reduction in the size and enhancement of the concentration of oil droplets in the water column. It was shown that the brine-oil IFT associated with the 3 crudes reduced to less than 3.6 mN/m with the application of the chemical dispersants, even at a low dispersant-to-oil ratio (DOR) value of 1:200. The use of chemical dispersants increased the viscosity of the dispersant-oil mixture up to 40 per cent over the neat crude oil. It was shown that for each mixing condition, an optimum value of DOR exists that provides for maximal dispersant effectiveness. The IFT reaches maximum reduction at optimum DOR. It was suggested that oil spill modelling can be improved with further study of IFT reduction with DOR and variations of critical micelle concentration with the type and solubility of chemical dispersant, oil type and oil to water ratio. 13 refs., 3 tabs., 7 figs

Preparation of carbon black masterbatch for PET using polymeric dispersing agents