The accuracy of heavy ion optical model calculations
International Nuclear Information System (INIS)
Kozik, T.
1980-01-01
There is investigated in detail the sources and magnitude of numerical errors in heavy ion optical model calculations. It is shown on example of 20 Ne + 24 Mg scattering at Esub(LAB)=100 MeV. (author)
NLOM - a program for nonlocal optical model calculations
International Nuclear Information System (INIS)
Kim, B.T.; Kyum, M.C.; Hong, S.W.; Park, M.H.; Udagawa, T.
1992-01-01
A FORTRAN program NLOM for nonlocal optical model calculations is described. It is based on a method recently developed by Kim and Udagawa, which utilizes the Lanczos technique for solving integral equations derived from the nonlocal Schroedinger equation. (orig.)
Optical model calculations with the code ECIS95
Energy Technology Data Exchange (ETDEWEB)
Carlson, B V [Departamento de Fisica, Instituto Tecnologico da Aeronautica, Centro Tecnico Aeroespacial (Brazil)
2001-12-15
The basic features of elastic and inelastic scattering within the framework of the spherical and deformed nuclear optical models are discussed. The calculation of cross sections, angular distributions and other scattering quantities using J. Raynal's code ECIS95 is described. The use of the ECIS method (Equations Couplees en Iterations Sequentielles) in coupled-channels and distorted-wave Born approximation calculations is also reviewed. (author)
Use of results from microscopic methods in optical model calculations
International Nuclear Information System (INIS)
Lagrange, C.
1985-11-01
A concept of vectorization for coupled-channel programs based upon conventional methods is first presented. This has been implanted in our program for its use on the CRAY-1 computer. In a second part we investigate the capabilities of a semi-microscopic optical model involving fewer adjustable parameters than phenomenological ones. The two main ingredients of our calculations are, for spherical or well-deformed nuclei, the microscopic optical-model calculations of Jeukenne, Lejeune and Mahaux and nuclear densities from Hartree-Fock-Bogoliubov calculations using the density-dependent force D1. For transitional nuclei deformation-dependent nuclear structure wave functions are employed to weigh the scattering potentials for different shapes and channels [fr
Optical model calculation of neutron-nucleus scattering cross sections
International Nuclear Information System (INIS)
Smith, M.E.; Camarda, H.S.
1980-01-01
A program to calculate the total, elastic, reaction, and differential cross section of a neutron interacting with a nucleus is described. The interaction between the neutron and the nucleus is represented by a spherically symmetric complex potential that includes spin-orbit coupling. This optical model problem is solved numerically, and is treated with the partial-wave formalism of scattering theory. The necessary scattering theory required to solve this problem is briefly stated. Then, the numerical methods used to integrate the Schroedinger equation, calculate derivatives, etc., are described, and the results of various programming tests performed are presented. Finally, the program is discussed from a user's point of view, and it is pointed out how and where the program (OPTICAL) can be changed to satisfy particular needs
Calculation of real optical model potential for heavy ions in the framework of the folding model
International Nuclear Information System (INIS)
Goncharov, S.A.; Timofeyuk, N.K.; Kazacha, G.S.
1987-01-01
The code for calculation of a real optical model potential in the framework of the folding model is realized. The program of numerical Fourier-Bessel transformation based on Filon's integration rule is used. The accuracy of numerical calculations is ∼ 10 -4 for a distance interval up to a bout (2.5-3) times the size of nuclei. The potentials are calculated for interactions of 3,4 He with nuclei from 9 Be to 27 Al with different effective NN-interactions and densities obtained from electron scattering data. Calculated potentials are similar to phenomenological potentials in Woods-Saxon form. With calculated potentials the available elastic scattering data for the considered nuclei in the energy interval 18-56 MeV are analysed. The needed renormalizations for folding potentials are < or approx. 20%
OPT13B and OPTIM4 - computer codes for optical model calculations
International Nuclear Information System (INIS)
Pal, S.; Srivastava, D.K.; Mukhopadhyay, S.; Ganguly, N.K.
1975-01-01
OPT13B is a computer code in FORTRAN for optical model calculations with automatic search. A summary of different formulae used for computation is given. Numerical methods are discussed. The 'search' technique followed to obtain the set of optical model parameters which produce best fit to experimental data in a least-square sense is also discussed. Different subroutines of the program are briefly described. Input-output specifications are given in detail. A modified version of OPT13B specifications are given in detail. A modified version of OPT13B is OPTIM4. It can be used for optical model calculations where the form factors of different parts of the optical potential are known point by point. A brief description of the modifications is given. (author)
International Nuclear Information System (INIS)
Pamela, J.
1990-10-01
Negative ion extraction is described by a model which includes electron diffusion across transverse magnetic fields in the sheath. This model allows a 2-Dimensional approximation of the problem. It is used to introduce electron space charge effects in a 2-D particle trajectory code, designed for negative ion optics calculations. Another physical effect, the stripping of negative ions on neutral gas atoms, has also been included in our model; it is found to play an important role in negative ion optics. The comparison with three sets of experimental data from very different negative ion accelerators, show that our model is able of accurate predictions
Bakker schut, T.C.; Bakker Schut, Tom C.; Hesselink, Gerlo; Hesselink, Gerlo; de Grooth, B.G.; Greve, Jan
1991-01-01
We have developed a computer program based on the geometrical optics approach proposed by Roosen to calculate the forces on dielectric spheres in focused laser beams. We have explicitly taken into account the polarization of the laser light and thd divergence of the laser beam. The model can be used
Experience at Los Alamos with use of the optical model for applied nuclear data calculations
International Nuclear Information System (INIS)
Young, P.G.
1994-01-01
While many nuclear models are important in calculations of nuclear data, the optical model usually provides the basic underpinning of analyses directed at data for applications. An overview is given here of experience in the Nuclear Theory and Applications Group at Los Alamos National Laboratory in the use of the optical model for calculations of nuclear cross section data for applied purposes. We consider the direct utilization of total, elastic, and reaction cross sections for neutrons, protons, deuterons, tritons, 3 He and alpha particles in files of evaluated nuclear data covering the energy range of 0 to 200 MeV, as well as transmission coefficients for reaction theory calculations and neutron and proton wave functions direct-reaction and Feshbach-Kerman-Koonin analyses. Optical model codes such as SCAT and ECIS and the reaction theory codes COMNUC, GNASH FKK-GNASH, and DWUCK have primarily been used in our analyses. A summary of optical model parameterizations from past analyses at Los Alamos will be given, including detailed tabulations of the parameters for a selection of nuclei
Experience at Los Alamos with use of the optical model for applied nuclear data calculations
International Nuclear Information System (INIS)
Young, P.G.
1998-01-01
While many nuclear models are important in calculations of nuclear data, the optical model usually provides the basic underpinning of analyses directed at data for applications. An overview is given here of experience in the Nuclear Theory and Applications Group at Los Alamos National Laboratory in the use of the optical model for calculations of nuclear cross section data for applied purposes. We consider the direct utilization of total, elastic, and reaction cross sections for neutrons, protons, deuterons, tritons, 3 He and alpha particles in files of evaluated nuclear data covering the energy range of 0 to 200 MeV, as well as transmission coefficients for reaction theory calculations and neutron and proton wave functions in direct-reaction and Feshbach-Kerman-Koonin analyses. Optical model codes such as SCAT and ECIS and the reaction theory codes COMNUC, GNASH, FKK-GNASH, and DWUCK have primarily been used in our analyses. A summary of optical model parameterizations from past analyses at Los Alamos will be given, including detailed tabulations of the parameters for a selection of nuclei. (author)
Energy Technology Data Exchange (ETDEWEB)
Chang, Jong Hwa; Lee, Jeong Yeon; Lee, Young Ouk; Sukhovitski, Efrem Sh [Korea Atomic Energy Research Institute, Taejeon (Korea)
2000-01-01
Programs SHEMMAN and OPTMAN (Version 6) have been developed for determinations of nuclear Hamiltonian parameters and for optical model calculations, respectively. The optical model calculations by OPTMAN with coupling schemes built on wave functions functions of non-axial soft-rotator are self-consistent, since the parameters of the nuclear Hamiltonian are determined by adjusting the energies of collective levels to experimental values with SHEMMAN prior to the optical model calculation. The programs have been installed at Nuclear Data Evaluation Laboratory of KAERI. This report is intended as a brief manual of these codes. 43 refs., 9 figs., 1 tabs. (Author)
Optical model calculation for the unresolved/resolved resonance region of Fe-56
Energy Technology Data Exchange (ETDEWEB)
Kawano, Toshihiko [Kyushu Univ., Fukuoka (Japan); Froehner, F.H.
1997-03-01
We have studied optical model fits to total neutron cross sections of structural materials using the accurate data base for {sup 56}Fe existing in the resolved and unresolved resonance region. Averages over resolved resonances were calculated with Lorentzian weighting in Reich-Moore (reduced R matrix) approximation. Starting from the best available optical potentials we found that adjustment of the real and imaginary well depths does not work satisfactorily with the conventional weak linear energy dependence of the well depths. If, however, the linear dependences are modified towards low energies, the average total cross sections can be fitted quite well, from the resolved resonance region up to 20 MeV and higher. (author)
Optical model calculations of nucleon interactions with 93Nb, from 10 keV up to 50 MeV
International Nuclear Information System (INIS)
Lagrange, C.
1979-01-01
The neutron spherical optical potential is determined following the SPRT method by a fit to strength functions, scattering radius, total cross section and neutron elastic scattering data. Comparison to the potential obtained with existing proton scattering data, (p,p) (p,n), provides a basis for the determination of the complex symmetry term of the optical potential. Calculations using the J.L.M. optical model will be also presented and discussed. 18 references
International Nuclear Information System (INIS)
Grudzevich, O.D.; Zelenetskij, A.V.; Pashchenko, A.B.
1986-01-01
The last version of the KOP program for calculating cross sections of neutron and charged particle interaction with atomic nuclei within the scope of the optical model is described. The structure and program organization, library of total parameters of the optical potential, program identificators and peculiarities of its operation, input of source data and output of calculational results for printing are described in detail. The KOP program is described in Fortran- and adapted for EC-1033 computer
Electromagnetic field modeling and ion optics calculations for a continuous-flow AMS system
International Nuclear Information System (INIS)
Han, B.X.; Reden, K.F. von; Roberts, M.L.; Schneider, R.J.; Hayes, J.M.; Jenkins, W.J.
2007-01-01
A continuous-flow 14 C AMS (CFAMS) system is under construction at the NOSAMS facility. This system is based on a NEC Model 1.5SDH-1 0.5 MV Pelletron accelerator and will utilize a combination of a microwave ion source (MIS) and a charge exchange canal (CXC) to produce negative carbon ions from a continuously flowing stream of CO 2 gas. For high-efficiency transmission of the large emittance, large energy-spread beam from the ion source unit, a large-acceptance and energy-achromatic injector consisting of a 45 o electrostatic spherical analyzer (ESA) and a 90 o double-focusing magnet has been designed. The 45 o ESA is rotatable to accommodate a 134-sample MC-SNICS as a second ion source. The high-energy achromat (90 o double focusing magnet and 90 o ESA) has also been customized for large acceptance. Electromagnetic field modeling and ion optics calculations of the beamline were done with Infolytica MagNet, ElecNet, and Trajectory Evaluator. PBGUNS and SIMION were used for the modeling of ion source unit
Shin, Min-Ho; Kim, Hyo-Jun; Kim, Young-Joo
2017-02-20
We proposed an optical simulation model for the quantum dot (QD) nanophosphor based on the mean free path concept to understand precisely the optical performance of optoelectronic devices. A measurement methodology was also developed to get the desired optical characteristics such as the mean free path and absorption spectra for QD nanophosphors which are to be incorporated into the simulation. The simulation results for QD-based white LED and OLED displays show good agreement with the experimental values from the fabricated devices in terms of spectral power distribution, chromaticity coordinate, CCT, and CRI. The proposed simulation model and measurement methodology can be applied easily to the design of lots of optoelectronics devices using QD nanophosphors to obtain high efficiency and the desired color characteristics.
Strahler, Alan H.; Li, Xiao-Wen; Jupp, David L. B.
1991-01-01
The bidirectional radiance or reflectance of a forest or woodland can be modeled using principles of geometric optics and Boolean models for random sets in a three dimensional space. This model may be defined at two levels, the scene includes four components; sunlight and shadowed canopy, and sunlit and shadowed background. The reflectance of the scene is modeled as the sum of the reflectances of the individual components as weighted by their areal proportions in the field of view. At the leaf level, the canopy envelope is an assemblage of leaves, and thus the reflectance is a function of the areal proportions of sunlit and shadowed leaf, and sunlit and shadowed background. Because the proportions of scene components are dependent upon the directions of irradiance and exitance, the model accounts for the hotspot that is well known in leaf and tree canopies.
International Nuclear Information System (INIS)
Fernandez-Varea, J.M.; Mayol, R.; Salvat, F.; Liljequist, D.
1992-11-01
The numerical calculation of electron inelastic mean free path and stopping power from an optical-data model recently proposed by Fernandez-Varea et al. is described in detail. Explicit expressions for the one-electron total cross sections of the two-modes model of the free-electron gas and the δ-oscillator are derived. The inelastic mean free path and the stopping power are obtained as integrals of these one-electron total cross sections weighted by the optical as integrals of these one-electron total cross sections weighted by the optical oscillator strength. The integrals can be easily evaluated, with a selected accuracy, by using the FORTRAN 77 subroutine GABQ described here, which implements a 20-points Gauss adaptive bipartition quadrature method. Source listings of FORTRAN 77 subroutines to compute the one-electron total cross sections are also given
Optical and statistical model calculation of the americium 242m capture cross section
International Nuclear Information System (INIS)
Tellier, Henry.
1981-04-01
The capture cross sections of Am 242m can be deduced from resonances analysis at low energy and computed with theoretical models at high energy. In this work, a coherent set of cross sections which reproduced the experimental values of the fission cross sections is computed. These calculations were performed for an energy of the incoming neutron between 1 keV and 1 MeV
Energy Technology Data Exchange (ETDEWEB)
Abdolahzadeh Ziabari, Ali, E-mail: ali.abd.ziabari@gmail.com [Nano Research Lab, Lahijan Branch, Islamic Azad University, P.O. Box 1616, Lahijan (Iran, Islamic Republic of); Refahi Sheikhani, A. H. [Department of Applied Mathematics, Lahijan Branch, Islamic Azad University, Lahijan (Iran, Islamic Republic of); Nezafat, Reza Vatani [Department of Civil Engineering, Faculty of Technology, University of Guilan, Rasht (Iran, Islamic Republic of); Haghighidoust, Kasra Monsef [Department of Mechanical Engineering, Faculty of Technology, University of Guilan, Rasht (Iran, Islamic Republic of)
2015-04-07
Cadmium oxide thin films were deposited onto glass substrates by sol–gel dip-coating method and annealed in air. The normal incidence transmittance of the films was measured by a spectrophotometer. D.C electrical parameters such as carrier concentration and mobility were analyzed by Hall Effect measurements. A combination of Forouhi–Bloomer and standard Drude model was used to simulate the optical constants and thicknesses of the films from transmittance data. The transmittance spectra of the films in the visible domain of wavelengths were successfully fitted by using the result of a hybrid particle swarm optimization method and genetic algorithm. The simulated transmittance is in good accordance with the measured spectrum in the whole measurement wavelength range. The electrical parameters obtained from the optical simulation are well consistent with those measured electrically by Hall Effect measurements.
Kai Xu; Guo Zhang; Qingjun Zhang; Deren Li
2018-01-01
In studies involving the extraction of surface physical parameters using optical remote sensing satellite imagery, sun-sensor geometry must be known, especially for sensor viewing angles. However, while pixel-by-pixel acquisitions of sensor viewing angles are of critical importance to many studies, currently available algorithms for calculating sensor-viewing angles focus only on the center-point pixel or are complicated and are not well known. Thus, this study aims to provide a simple and ge...
International Nuclear Information System (INIS)
Iida, Yohei; Kado, Shinichiro; Tanaka, Satoru
2010-01-01
An integral analytical formula for a spatial distribution of the optical escape factor (OEF) in an infinite cylindrical plasma is derived as a function of an arbitrary upper state spatial density profile, the temperature ratio of the upper state to the lower state, and the optical depth of the corresponding transition. Test calculations are carried out for three different upper state profiles, i.e., uniform (rectangular), parabolic, and Gaussian upper state profiles. The OEF takes on negative values at the periphery of the parabolic and Gaussian upper state profiles. These characteristics cannot be expressed by the conventional OEF formulas derived for the center of the plasma, even though the optical depth is increased. In addition to the analytical derivation of the formula, two practical formulas are proposed: an empirical formula of the spatial distribution of the OEF for the Gaussian upper state density profile and a linear formula of the OEF distribution for upper state profiles that are expressed as linear combinations. These formulas enable us to calculate the spatial distribution of the OEF for the multiple-Gaussian upper state profile without the need for time-consuming integral calculations.
Energy Technology Data Exchange (ETDEWEB)
Holmqvist, B; Wiedling, T
1969-06-15
Neutron elastic scattering cross section measurements have been going on for a long period at the Studsvik Van de Graaff laboratory. The cross sections of a range of elements have been investigated in the energy interval 1.5 to 8 MeV. The experimental data have been compared with cross sections calculated with the optical model when using a local nuclear potential.
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.
Calculations of optical rotation: Influence of molecular structure
Directory of Open Access Journals (Sweden)
Yu Jia
2012-01-01
Full Text Available Ab initio Hartree-Fock (HF method and Density Functional Theory (DFT were used to calculate the optical rotation of 26 chiral compounds. The effects of theory and basis sets used for calculation, solvents influence on the geometry and values of calculated optical rotation were all discussed. The polarizable continuum model, included in the calculation, did not improve the accuracy effectively, but it was superior to γs. Optical rotation of five or sixmembered of cyclic compound has been calculated and 17 pyrrolidine or piperidine derivatives which were calculated by HF and DFT methods gave acceptable predictions. The nitrogen atom affects the calculation results dramatically, and it is necessary in the molecular structure in order to get an accurate computation result. Namely, when the nitrogen atom was substituted by oxygen atom in the ring, the calculation result deteriorated.
Nurhuda, Maryam; Aziz Majidi, Muhammad
2018-04-01
The role of excitons in semiconducting materials carries potential applications. Experimental results show that excitonic signals also appear in optical absorption spectra of semiconductor system with narrow gap, such as Gallium Arsenide (GaAs). While on the theoretical side, calculation of optical spectra based purely on Density Functional Theory (DFT) without taking electron-hole (e-h) interactions into account does not lead to the appearance of any excitonic signal. Meanwhile, existing DFT-based algorithms that include a full vertex correction through Bethe-Salpeter equation may reveal an excitonic signal, but the algorithm has not provided a way to analyze the excitonic signal further. Motivated to provide a way to isolate the excitonic effect in the optical response theoretically, we develop a method of calculation for the optical conductivity of a narrow band-gap semiconductor GaAs within the 8-band k.p model that includes electron-hole interactions through first-order electron-hole vertex correction. Our calculation confirms that the first-order e-h vertex correction reveals excitonic signal around 1.5 eV (the band gap edge), consistent with the experimental data.
Xu, L.; Peng, Y.; Ram, K.
2017-12-01
The presence of absorbing component of organic carbon in atmospheric aerosols (Brown Carbon, BrC) has recently received much attention to the scientific community because of its absorbing nature, especially in the UV and Visible region. Attempts to account for BrC in radiative forcing calculations in climate model are rather scarce, primarily due to observational constrain as well as its incorporation in the model-based studies. Due to non-treatment of BrC in the off-line models, there exists a large discrepancy between model- and observational- based estimate of direct radiative effect of carbonaceous aerosols. In this study, we have included BrC absorption and optical characteristics in the fifth version of Community Atmospheric Model (CAM5) for the better understanding of radiative impact of BrC over northern India, also for improving the performance of aerosol radiative calculation in climate model. We have used the inputs of aerosol chemical composition measurements conducted at an urban site, Kanpur, in the Indo-Gangetic Plain (IGP) during 2007-2008 to construct the optical properties of BrC in CAM5 model. Model radiative simulations of sensitive tests showed good agreement with observations. Effects of varying imaginary part of BrC refractive index, relative mass ratio of BrC to organic aerosol in combination with core-shell mixing style of BrC with other anthropogenic aerosols are also analyzed for understanding BrC impact on simulated aerosol absorption in model.
Calculated optical absorption of different perovskite phases
Energy Technology Data Exchange (ETDEWEB)
Castelli, Ivano E. [Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark; Thygesen, Kristian S. [Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark; Jacobsen, Karsten W. [Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark
2015-01-01
We present calculations of the optical properties of a set of around 80 oxides, oxynitrides, and organometal halide cubic and layered perovskites (Ruddlesden–Popper and Dion–Jacobson phases) with a bandgap in the visible part of the solar spectrum.
International Nuclear Information System (INIS)
Iliescu, N.
1975-01-01
The theory of optical model and cross sections is developing. The neutron reactions considered in the high energy rate (0,1-15 MeV) were: total, elastic, elastic angular distributions, nonelastic, inelastic for resolved levels. This region was subdivided in two parts: in the first one, ranging from 0,1 to 1 MeV, the evaluation was mainly based on empirical fits of the experimental data, whereas in the second part the fits were carried out with theoretical models: optical and statistical. The potential parameters were obtained fitting the total, elastic, inelastic cross sections and elastic angular distributions. Using Hauser-Feshbach theory, angular distribution and cross sections for compound elastic scattering and inelastic scattering are calculated
Calculated optical absorption of different perovskite phases
DEFF Research Database (Denmark)
Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel
2015-01-01
We present calculations of the optical properties of a set of around 80 oxides, oxynitrides, and organometal halide cubic and layered perovskites (Ruddlesden-Popper and Dion-Jacobson phases) with a bandgap in the visible part of the solar spectrum. The calculations show that for different classes...... of perovskites the solar light absorption efficiency varies greatly depending not only on bandgap size and character (direct/indirect) but also on the dipole matrix elements. The oxides exhibit generally a fairly weak absorption efficiency due to indirect bandgaps while the most efficient absorbers are found...... in the classes of oxynitride and organometal halide perovskites with strong direct transitions....
Uttal, Taneil; Matrosov, Sergey Y.; Snider, Jack B.; Kropfli, Robert A.
1994-01-01
A vertically pointing 3.2-cm radar is used to observe altostratus and cirrus clouds as they pass overhead. Radar reflectivities are used in combination with an empirical Z(sub i)-IWC (ice water content) relationship developed by Sassen (1987) to parameterize IWC, which is then integrated to obtain estimates of ice water path (IWP). The observed dataset is segregated into all-ice and mixed-phase periods using measurements of integrated liquid water paths (LWP) detected by a collocated, dual-channel microwave radiometer. The IWP values for the all ice periods are compared to measurements of infrared (IR) downward fluxes measured by a collocated narrowband (9.95-11.43 microns) IR radiometer, which results in scattergrams representing the observed dependence of IR fluxes on IWP. A two-stream model is used to calculate the infrared fluxes expected from ice clouds with boundary conditions specified by the actual clouds, and similar curves relating IWP and infrared fluxes are obtained. The model and observational results suggest that IWP is one of the primary controls on infrared thermal fluxes for ice clouds.
International Nuclear Information System (INIS)
Tsirelson, V.G.; Korolkova, O.V.; Rez, I.S.; Ozerov, R.P.
1984-01-01
A method for calculating the optical characteristics of crystals with different types of chemical bonds within the framework of the dielectric theory of chemical bond put forward by Philips and Van Vechten is suggested. The calculating scheme which does not contain adjustable parameters is based on the bond charge model designed by Levine, which is generalized for the case of multiple bonds and modified involving the density functional method data on the spatial distribution of electrons in atoms. The structural elements of the method are: the screened Coulomb potentials and radii of the atomic core, bond lengths and charges, and the distances from the nuclei to the centers of gravity of the latter. The calculated characteristics of the crystals (dielectric permittivity, quadratic and cubic non-linear susceptibilities, electrooptical constants) are in good accordance with experimental findings. An attempt is made to predict the non-linear optical characteristics according to precision X-ray diffraction data on the electron structure of its only representative, lithium formate deuterate LiHCO 2 xD 2 O, whereby a fairly good fit with the experimental data is achieved. (author)
A new calculation of LAMOST optical vignetting
Li, Shuang; Luo, Ali; Chen, Jianjun; Liu, Genrong; Comte, Georges
2012-09-01
A new method to calculate the optical vignetting of LAMOST (Large Sky Area Muti-Object Fiber Spectroscopic Telescope) is presented. With the pilot survey of LAMOST, it is necessary to have thorough and quantitative estimation and analysis on the observing efficiency which is affected by various factors: the optical system of the telescope and the spectrograph that is vignetting, the focal instrument, and the site condition. The wide field and large pupil of LAMOST fed by a Schmidt reflecting mirror, with a fixed optical axis coinciding with the local polar axis, lead to significant telescope vignetting, caused by the effective light-collecting area of the corrector, the light obstruction of the focal-plate, and the size of the primary mirror. A calculation of the vignetting has been presented by Xue et al. (2007), which considered 4 meter circle limitation and based on ray-tracking. In fact, there is no effect of the 4 meter circle limitation, so that we compute the vignetting again by means of obtaining the ratio of effective projected area of the corrector. All the results are derived by AUTOCAD. Moreover, the vignetting functions and vignetting variations with declination at which the telescope is pointed and the position considered in the focal surface are presented and analysed. Finally, compared with the ray-tracing method to obtain the vignetting before, the validity and availability of the proposed method are illustrated.
Deuteron microscopic optical model potential
International Nuclear Information System (INIS)
Guo Hairui; Han Yinlu; Shen Qingbiao; Xu Yongli
2010-01-01
A deuteron microscopic optical model potential is obtained by the Green function method through nuclear-matter approximation and local-density approximation based on the effective Skyrme interaction. The microscopic optical model potential is used to calculate the deuteron reaction cross sections and the elastic scattering angular distributions for some target nuclei in the mass range 6≤A≤208 with incident deuteron energies up to 200 MeV. The calculated results are compared with the experimental data.
International Nuclear Information System (INIS)
Hayhurst, T.L.
1980-01-01
Techniques for applying ab-initio calculations to the analysis of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multiconfiguration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e. wavefunctions with radical correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to screen the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the KI sequence from K 0+ through Fe 7+ , fitting to experimental levels for V 4+ , and Cr 5+ ; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: Energy levels of the Uranium hexahalide complexes, (UX 6 ) 2- for X = F, Cl, Br, and I, are fit to an effective Hamiltonian (the f 2 configuration in O/sub h/ symmetry) with corrections proposed by Brian Judd
International Nuclear Information System (INIS)
Hayhurst, T.L.
1980-05-01
Techniques for applying ab-initio calculations to the analysis of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multi-configuration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e., wavefunctions with radial correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to screen the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the K I sequence from K 0+ through Fe 7+ , fitting to experimental levels for V 4+ , and Cr 5+ ; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: energy levels of the uranium hexahalide complexes, (UX 6 ) 2- for X = F, Cl, Br, and I, are fit to an effective Hamiltonian (the f 2 configuration in O/sub h/ symmetry) with corrections proposed by Brian Judd
Equilibrium fission model calculations
International Nuclear Information System (INIS)
Beckerman, M.; Blann, M.
1976-01-01
In order to aid in understanding the systematics of heavy ion fission and fission-like reactions in terms of the target-projectile system, bombarding energy and angular momentum, fission widths are calculated using an angular momentum dependent extension of the Bohr-Wheeler theory and particle emission widths using angular momentum coupling
Calculation of Optical Parameters of Liquid Crystals
Kumar, A.
2007-12-01
Validation of a modified four-parameter model describing temperature effect on liquid crystal refractive indices is being reported in the present article. This model is based upon the Vuks equation. Experimental data of ordinary and extraordinary refractive indices for two liquid crystal samples MLC-9200-000 and MLC-6608 are used to validate the above-mentioned theoretical model. Using these experimental data, birefringence, order parameter, normalized polarizabilities, and the temperature gradient of refractive indices are determined. Two methods: directly using birefringence measurements and using Haller's extrapolation procedure are adopted for the determination of order parameter. Both approches of order parameter calculation are compared. The temperature dependences of all these parameters are discussed. A close agreement between theory and experiment is obtained.
2D director calculation for liquid crystal optical phased array
International Nuclear Information System (INIS)
Xu, L; Zhang, J; Wu, L Y
2005-01-01
A practical numerical model for a liquid crystal cell is set up based on the geometrical structure of liquid crystal optical phased arrays. Model parameters include width and space of electrodes, thickness of liquid crystal layer, alignment layers and glass substrates, pre-tilted angles, dielectric constants, elastic constants and so on. According to electrostatic field theory and Frank-Oseen elastic continuum theory, 2D electric potential distribution and 2D director distribution are calculated by means of the finite difference method on non-uniform grids. The influence of cell sizes on director distribution is analyzed. The fringe field effect between electrodes is also discussed
Calculation Of Extraction Optics For Ion System With Plazma Emitter
Frolov, B A
2004-01-01
The 2-D code for simulating of ion optics system of positive ion extraction from a plasma source is described. Example calculation of 100 kV optics for the extraction ion IHEP gun is presented. The trajectories of particles and emittance plots are resulted. The aberrations influ-ence strongly on ion optics for considered geometry.
First-principle calculations of structural, electronic, optical, elastic ...
Indian Academy of Sciences (India)
S CHEDDADI
2017-11-28
Nov 28, 2017 ... First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite ... The Kohn–Sham equations were solved using the ... RMTKmax = 7 was used for all the investigated systems,.
International Nuclear Information System (INIS)
Ichihara, Akira; Kunieda, Satoshi; Chiba, Satoshi; Iwamoto, Osamu; Shibata, Keiichi; Nakagawa, Tsuneo; Fukahori, Tokio; Katakura, Jun-ichi
2005-07-01
The computer code, POD, was developed to calculate angle-differential cross sections and analyzing powers for shape-elastic scattering for collisions of neutron or light ions with target nucleus. The cross sections are computed with the optical model. Angle-differential cross sections for neutron inelastic scattering can also be calculated with the distorted-wave Born approximation. The optical model potential parameters are the most essential inputs for those model computations. In this program, the cross sections and analyzing powers are obtained by using the existing local or global parameters. The parameters can also be inputted by users. In this report, the theoretical formulas, the computational methods, and the input parameters are explained. The sample inputs and outputs are also presented. (author)
The neutron optical model potential
International Nuclear Information System (INIS)
Hodgson, P.E.
1989-01-01
The present status of optical model calculations of neutron scattering and interactions is reviewed, with special emphasis on more recent developments and the more promising lines of research. The use of dispersion relations to provide an extra constraint on the potential is discussed, together with their application to studies of the Fermi surface anomaly. The application of potential inversion techniques to determine the form of the potential is also considered. (author). 39 refs, figs
Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy.
Provazza, Justin; Segatta, Francesco; Garavelli, Marco; Coker, David F
2018-02-13
Computation of nonlinear optical response functions allows for an in-depth connection between theory and experiment. Experimentally recorded spectra provide a high density of information, but to objectively disentangle overlapping signals and to reach a detailed and reliable understanding of the system dynamics, measurements must be integrated with theoretical approaches. Here, we present a new, highly accurate and efficient trajectory-based semiclassical path integral method for computing higher order nonlinear optical response functions for non-Markovian open quantum systems. The approach is, in principle, applicable to general Hamiltonians and does not require any restrictions on the form of the intrasystem or system-bath couplings. This method is systematically improvable and is shown to be valid in parameter regimes where perturbation theory-based methods qualitatively breakdown. As a test of the methodology presented here, we study a system-bath model for a coupled dimer for which we compare against numerically exact results and standard approximate perturbation theory-based calculations. Additionally, we study a monomer with discrete vibronic states that serves as the starting point for future investigation of vibronic signatures in nonlinear electronic spectroscopy.
Model for fission-product calculations
International Nuclear Information System (INIS)
Smith, A.B.
1984-01-01
Many fission-product cross sections remain unmeasurable thus considerable reliance must be placed upon calculational interpolation and extrapolation from the few available measured cross sections. The vehicle, particularly for the lighter fission products, is the conventional optical-statistical model. The applied goals generally are: capture cross sections to 7 to 10% accuracies and inelastic-scattering cross sections to 25 to 50%. Comparisons of recent evaluations and experimental results indicate that these goals too often are far from being met, particularly in the area of inelastic scattering, and some of the evaluated fission-product cross sections are simply physically unreasonable. It is difficult to avoid the conclusion that the models employed in many of the evaluations are inappropriate and/or inappropriately used. In order to alleviate the above unfortunate situations, a regional optical-statistical (OM) model was sought with the goal of quantitative prediction of the cross sections of the lighter-mass (Z = 30-51) fission products. The first step toward that goal was the establishment of a reliable experimental data base consisting of energy-averaged neutron total and differential-scattering cross sections. The second step was the deduction of a regional model from the experimental data. It was assumed that a spherical OM is appropriate: a reasonable and practical assumption. The resulting OM then was verified against the measured data base. Finally, the physical character of the regional model is examined
AB INITIO calculations of magneto-optical effects
Czech Academy of Sciences Publication Activity Database
Kuneš, Jan; Oppeneer, P. M.
2002-01-01
Roč. 2, - (2002), s. 141-146 ISSN 1346-7948 R&D Projects: GA AV ČR IAA1010214 Institutional research plan: CEZ:AV0Z1010914 Keywords : electronic structure * ab initio calculation * polar magneto-optical Kerr effect * transitiom metal * uranium intermetallics * CrO 2 Subject RIV: BM - Solid Matter Physics ; Magnetism
Advanced Geometric Optics on a Programmable Pocket Calculator.
Nussbaum, Allen
1979-01-01
Presents a ray-tracing procedure based on some ideas of Herzberger and the matrix approach to geometrical optics. This method, which can be implemented on a programmable pocket calculator, applies to any conic surface, including paraboloids, spheres, and planes. (Author/GA)
The calculation of the optical gap energy of ZnXO (X = Bi, Sn and Fe
Directory of Open Access Journals (Sweden)
Benramache Said
2016-01-01
Full Text Available In this paper, a new mathematical model has been developed to calculate the optical properties of nano materials a function of their size and structure. ZnO has good characterizatics in optical, electrical, and structural crystallisation; We will demonstrate that the direct optical gap energy of ZnO films grown by US and SP spray deposition can be calculated by investigating the correlation between solution molarity, doping levels of doped films and their Urbache energy. A simulation model has been developed to calculate the optical band gap energy of undoped and Bi, Sn and Fe doped ZnO thin films. The measurements by thus proposed models are in agreement with experimental data, with high correlation coefficients in the range 0.94-0.99. The maximum calculated enhancement of the optical gap energy of Sn doped ZnO thin films is always higher than the enhancement attainable with an Fe doped film, where the minimum error was found for Bi and Sn doped ZnO thin films to be 2,345 and 3,072%, respectively. The decrease in the relative errors from undoped to doped films can be explained by the good optical properties which can be observed in the fewer number of defects as well as less disorder.
Models of optical quantum computing
Directory of Open Access Journals (Sweden)
Krovi Hari
2017-03-01
Full Text Available I review some work on models of quantum computing, optical implementations of these models, as well as the associated computational power. In particular, we discuss the circuit model and cluster state implementations using quantum optics with various encodings such as dual rail encoding, Gottesman-Kitaev-Preskill encoding, and coherent state encoding. Then we discuss intermediate models of optical computing such as boson sampling and its variants. Finally, we review some recent work in optical implementations of adiabatic quantum computing and analog optical computing. We also provide a brief description of the relevant aspects from complexity theory needed to understand the results surveyed.
Modeling of semiconductor optical amplifiers
DEFF Research Database (Denmark)
Mørk, Jesper; Bischoff, Svend; Berg, Tommy Winther
We discuss the modelling of semiconductor optical amplifiers with emphasis on their high-speed properties. Applications in linear amplification as well as ultrafast optical signal processing are reviewed. Finally, the possible role of quantum-dot based optical amplifiers is discussed.......We discuss the modelling of semiconductor optical amplifiers with emphasis on their high-speed properties. Applications in linear amplification as well as ultrafast optical signal processing are reviewed. Finally, the possible role of quantum-dot based optical amplifiers is discussed....
Recommendations for DSD model calculations
International Nuclear Information System (INIS)
Cvelbar, F.
1999-01-01
The latest achievements of the DSD (direct-semidirect) capture model, such as the extension to unbound final states or to densely distributed bound states, and the introduction of the consistent DSD model are reviewed. Recommendations for the future use of the model are presented. (author)
Simplified approach for quantitative calculations of optical pumping
International Nuclear Information System (INIS)
Atoneche, Fred; Kastberg, Anders
2017-01-01
We present a simple and pedagogical method for quickly calculating optical pumping processes based on linearised population rate equations. The method can easily be implemented on mathematical software run on modest personal computers, and can be generalised to any number of concrete situations. We also show that the method is still simple with realistic experimental complications taken into account, such as high level degeneracy, impure light polarisation, and an added external magnetic field. The method and the associated mathematical toolbox should be of value in advanced physics teaching, and can also facilitate the preparation of research tasks. (paper)
Simplified approach for quantitative calculations of optical pumping
Atoneche, Fred; Kastberg, Anders
2017-07-01
We present a simple and pedagogical method for quickly calculating optical pumping processes based on linearised population rate equations. The method can easily be implemented on mathematical software run on modest personal computers, and can be generalised to any number of concrete situations. We also show that the method is still simple with realistic experimental complications taken into account, such as high level degeneracy, impure light polarisation, and an added external magnetic field. The method and the associated mathematical toolbox should be of value in advanced physics teaching, and can also facilitate the preparation of research tasks.
Gun and optics calculations for the Fermilab recirculation experiment
International Nuclear Information System (INIS)
Kroc, T.
1997-10-01
Fermilab is investigating electron cooling to recycle 8 Gev antiprotons recovered from the Tevatron. To do so, it is developing an experiment to recirculate 2 Mev electrons generated by a Pelletron at National Electrostatics Corporation. This paper reports on the optics calculations done in support of that work. We have used the computer codes EGN2 and MacTrace to represent the gun area and acceleration columns respectively. In addition to the results of our simulations, we discuss some of the problems encountered in interfacing the two codes
Transition Models for Engineering Calculations
Fraser, C. J.
2007-01-01
While future theoretical and conceptual developments may promote a better understanding of the physical processes involved in the latter stages of boundary layer transition, the designers of rotodynamic machinery and other fluid dynamic devices need effective transition models now. This presentation will therefore center around the development of of some transition models which have been developed as design aids to improve the prediction codes used in the performance evaluation of gas turbine blading. All models are based on Narasimba's concentrated breakdown and spot growth.
Temperature Calculations in the Coastal Modeling System
2017-04-01
ERDC/CHL CHETN-IV-110 April 2017 Approved for public release; distribution is unlimited . Temperature Calculations in the Coastal Modeling...tide) and river discharge at model boundaries, wave radiation stress, and wind forcing over a model computational domain. Physical processes calculated...calculated in the CMS using the following meteorological parameters: solar radiation, cloud cover, air temperature, wind speed, and surface water temperature
Theoretical aspects of the optical model
International Nuclear Information System (INIS)
Mahaux, C.
1980-01-01
We first recall the definition of the optical-model potential for nucleons and the physical interpretation of the main related quantities. We then survey the recent theoretical progress towards a reliable calculation of this potential. The present limitations of the theory and some prospects for future developments are outlined. (author)
Optical properties of Nb and Mo calculated from augmented-plane-wave band structures
International Nuclear Information System (INIS)
Pickett, W.E.; Allen, P.B.
1975-01-01
Nonrelativistic band calculations of Mattheiss for Nb and Petroff and Viswanathan for Mo are used to calculate the imaginary part epsilon 2 of the dielectric function for these metals. The structure resulting from interband transitions in the frequency range 0.1--0.5 Ry is found to give fairly good agreement with experiment. The calculation indicates that structure in epsilon 2 can arise from transitions away from symmetry points and lines in the Brillouin zone. The difficulty in distinguishing between the direct and indirect transition models for epsilon 2 is shown to arise from a lack of strong optical critical points. Predictions of the rigid-band model for the optical properties of Nb-Mo alloys are presented
Comparison of two optical biometers in intraocular lens power calculation
Directory of Open Access Journals (Sweden)
Sheng Hui
2014-01-01
Full Text Available Aims: To compare the consistency and accuracy in ocular biometric measurements and intraocular lens (IOL power calculations using the new optical low-coherence reflectometry and partial coherence interferometry. Subjects and Methods: The clinical data of 122 eyes of 72 cataract patients were analyzed retrospectively. All patients were measured with a new optical low-coherence reflectometry system, using the LENSTAR LS 900 (Haag Streit AG/ALLEGRO BioGraph biometer (Wavelight., AG, and partial coherence interferometry (IOLMaster V.5.4 [Carl Zeiss., Meditec, AG] before phacoemulsification and IOL implantation. Repeated measurements, as recommended by the manufacturers, were performed by the same examiner with both devices. Using the parameters of axial length (AL, corneal refractive power (K1 and K2, and anterior chamber depth (ACD, power calculations for AcrySof SA60AT IOL were compared between the two devices using five formulas. The target was emmetropia. Statistical analysis was performed using Statistical Package for the Social Sciences software (SPSS 13.0 with t-test as well as linear regression. A P value < 0.05 was considered to be statistically significant. Results: The mean age of 72 cataract patients was 64.6 years ± 13.4 [standard deviation]. Of the biometry parameters, K1, K2 and [K1 + K2]/2 values were significantly different between the two devices (mean difference, K1: −0.05 ± 0.21 D; K2: −0.12 ± 0.20 D; [K1 + K2]/2: −0.08 ± 0.14 D. P <0.05. There was no statistically significant difference in AL and ACD between the two devices. The correlations of AL, K1, K2, and ACD between the two devices were high. The mean differences in IOL power calculations using the five formulas were not statistically significant between the two devices. Conclusions: New optical low-coherence reflectometry provides measurements that correlate well to those of partial coherence interferometry, thus it is a precise device that can be used for the
Primary production calculations for sea ice from bio-optical observations in the Baltic Sea
Directory of Open Access Journals (Sweden)
Susann Müller
2016-09-01
Full Text Available Abstract Bio-optics is a powerful approach for estimating photosynthesis rates, but has seldom been applied to sea ice, where measuring photosynthesis is a challenge. We measured absorption coefficients of chromophoric dissolved organic matter (CDOM, algae, and non-algal particles along with solar radiation, albedo and transmittance at four sea-ice stations in the Gulf of Finland, Baltic Sea. This unique compilation of optical and biological data for Baltic Sea ice was used to build a radiative transfer model describing the light field and the light absorption by algae in 1-cm increments. The maximum quantum yields and photoadaptation of photosynthesis were determined from 14C-incorporation in photosynthetic-irradiance experiments using melted ice. The quantum yields were applied to the radiative transfer model estimating the rate of photosynthesis based on incident solar irradiance measured at 1-min intervals. The calculated depth-integrated mean primary production was 5 mg C m–2 d–1 for the surface layer (0–20 cm ice depth at Station 3 (fast ice and 0.5 mg C m–2 d–1 for the bottom layer (20–57 cm ice depth. Additional calculations were performed for typical sea ice in the area in March using all ice types and a typical light spectrum, resulting in depth-integrated mean primary production rates of 34 and 5.6 mg C m–2 d–1 in surface ice and bottom ice, respectively. These calculated rates were compared to rates determined from 14C incorporation experiments with melted ice incubated in situ. The rate of the calculated photosynthesis and the rates measured in situ at Station 3 were lower than those calculated by the bio-optical algorithm for typical conditions in March in the Gulf of Finland by the bio-optical algorithm. Nevertheless, our study shows the applicability of bio-optics for estimating the photosynthesis of sea-ice algae.
Calculation of optical second-harmonic susceptibilities and optical activity for crystals
International Nuclear Information System (INIS)
Levine, Z.H.
1994-01-01
A new generation of nearly first-principles calculations predicts both the linear and second-harmonic susceptibilities for a variety of insulating crystals, including GaAs, GaP, AlAs, AlP, Se, α-quartz, and c-urea. The results are typically in agreement with experimental measurements. The calculations have been extended to optical activity, with somewhat less success to date. The theory, based on a simple self-energy correction to the local density approximation, and results are reviewed herein
Calculation models for a nuclear reactor
International Nuclear Information System (INIS)
Tashanii, Ahmed Ali
2010-01-01
Determination of different parameters of nuclear reactors requires neutron transport calculations. Due to complicity of geometry and material composition of the reactor core, neutron calculations were performed for simplified models of the real arrangement. In frame of the present work two models were used for calculations. First, an elementary cell model was used to prepare cross section data set for a homogenized-core reactor model. The homogenized-core reactor model was then used to perform neutron transport calculation. The nuclear reactor is a tank-shaped thermal reactor. The semi-cylindrical core arrangement consists of aluminum made fuel bundles immersed in water which acts as a moderator as well as a coolant. Each fuel bundle consists of aluminum cladded fuel rods arranged in square lattices. (author)
Precipitates/Salts Model Sensitivity Calculation
International Nuclear Information System (INIS)
Mariner, P.
2001-01-01
The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation on potential seepage waters within a potential repository drift. This work is developed and documented using procedure AP-3.12Q, ''Calculations'', in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The specific objective of this calculation is to examine the sensitivity and uncertainties of the Precipitates/Salts model. The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b). The calculation in the current document examines the effects of starting water composition, mineral suppressions, and the fugacity of carbon dioxide (CO 2 ) on the chemical evolution of water in the drift
Analytical model of the optical vortex microscope.
Płocinniczak, Łukasz; Popiołek-Masajada, Agnieszka; Masajada, Jan; Szatkowski, Mateusz
2016-04-20
This paper presents an analytical model of the optical vortex scanning microscope. In this microscope the Gaussian beam with an embedded optical vortex is focused into the sample plane. Additionally, the optical vortex can be moved inside the beam, which allows fine scanning of the sample. We provide an analytical solution of the whole path of the beam in the system (within paraxial approximation)-from the vortex lens to the observation plane situated on the CCD camera. The calculations are performed step by step from one optical element to the next. We show that at each step, the expression for light complex amplitude has the same form with only four coefficients modified. We also derive a simple expression for the vortex trajectory of small vortex displacements.
Phenomenological optical potentials and optical model computer codes
International Nuclear Information System (INIS)
Prince, A.
1980-01-01
An introduction to the Optical Model is presented. Starting with the purpose and nature of the physical problems to be analyzed, a general formulation and the various phenomenological methods of solution are discussed. This includes the calculation of observables based on assumed potentials such as local and non-local and their forms, e.g. Woods-Saxon, folded model etc. Also discussed are the various calculational methods and model codes employed to describe nuclear reactions in the spherical and deformed regions (e.g. coupled-channel analysis). An examination of the numerical solutions and minimization techniques associated with the various codes, is briefly touched upon. Several computer programs are described for carrying out the calculations. The preparation of input, (formats and options), determination of model parameters and analysis of output are described. The class is given a series of problems to carry out using the available computer. Interpretation and evaluation of the samples includes the effect of varying parameters, and comparison of calculations with the experimental data. Also included is an intercomparison of the results from the various model codes, along with their advantages and limitations. (author)
EMPIRE-II statistical model code for nuclear reaction calculations
Energy Technology Data Exchange (ETDEWEB)
Herman, M [International Atomic Energy Agency, Vienna (Austria)
2001-12-15
EMPIRE II is a nuclear reaction code, comprising various nuclear models, and designed for calculations in the broad range of energies and incident particles. A projectile can be any nucleon or Heavy Ion. The energy range starts just above the resonance region, in the case of neutron projectile, and extends up to few hundreds of MeV for Heavy Ion induced reactions. The code accounts for the major nuclear reaction mechanisms, such as optical model (SCATB), Multistep Direct (ORION + TRISTAN), NVWY Multistep Compound, and the full featured Hauser-Feshbach model. Heavy Ion fusion cross section can be calculated within the simplified coupled channels approach (CCFUS). A comprehensive library of input parameters covers nuclear masses, optical model parameters, ground state deformations, discrete levels and decay schemes, level densities, fission barriers (BARFIT), moments of inertia (MOMFIT), and {gamma}-ray strength functions. Effects of the dynamic deformation of a fast rotating nucleus can be taken into account in the calculations. The results can be converted into the ENDF-VI format using the accompanying code EMPEND. The package contains the full EXFOR library of experimental data. Relevant EXFOR entries are automatically retrieved during the calculations. Plots comparing experimental results with the calculated ones can be produced using X4TOC4 and PLOTC4 codes linked to the rest of the system through bash-shell (UNIX) scripts. The graphic user interface written in Tcl/Tk is provided. (author)
Model cross section calculations using LAHET
International Nuclear Information System (INIS)
Prael, R.E.
1992-01-01
The current status of LAHET is discussed. The effect of a multistage preequilibrium exciton model following the INC is examined for neutron emission benchmark calculations, as is the use of a Fermi breakup model for light nuclei rather than an evaporation model. Comparisons are made also for recent fission cross section experiments, and a discussion of helium production cross sections is presented
Parametric uncertainty in optical image modeling
Potzick, James; Marx, Egon; Davidson, Mark
2006-10-01
Optical photomask feature metrology and wafer exposure process simulation both rely on optical image modeling for accurate results. While it is fair to question the accuracies of the available models, model results also depend on several input parameters describing the object and imaging system. Errors in these parameter values can lead to significant errors in the modeled image. These parameters include wavelength, illumination and objective NA's, magnification, focus, etc. for the optical system, and topography, complex index of refraction n and k, etc. for the object. In this paper each input parameter is varied over a range about its nominal value and the corresponding images simulated. Second order parameter interactions are not explored. Using the scenario of the optical measurement of photomask features, these parametric sensitivities are quantified by calculating the apparent change of the measured linewidth for a small change in the relevant parameter. Then, using reasonable values for the estimated uncertainties of these parameters, the parametric linewidth uncertainties can be calculated and combined to give a lower limit to the linewidth measurement uncertainty for those parameter uncertainties.
Advanced modelling of optical coherence tomography systems
International Nuclear Information System (INIS)
Andersen, Peter E; Thrane, Lars; Yura, Harold T; Tycho, Andreas; Joergensen, Thomas M; Frosz, Michael H
2004-01-01
Analytical and numerical models for describing and understanding the light propagation in samples imaged by optical coherence tomography (OCT) systems are presented. An analytical model for calculating the OCT signal based on the extended Huygens-Fresnel principle valid both for the single and multiple scattering regimes is reviewed. An advanced Monte Carlo model for calculating the OCT signal is also reviewed, and the validity of this model is shown through a mathematical proof based on the extended Huygens-Fresnel principle. Moreover, for the first time the model is verified experimentally. From the analytical model, an algorithm for enhancing OCT images is developed; the so-called true-reflection algorithm in which the OCT signal may be corrected for the attenuation caused by scattering. For the first time, the algorithm is demonstrated by using the Monte Carlo model as a numerical tissue phantom. Such algorithm holds promise for improving OCT imagery and to extend the possibility for functional imaging
Ding, Kun; Chan, C. T.
2018-04-01
The calculation of optical force density distribution inside a material is challenging at the nanoscale, where quantum and nonlocal effects emerge and macroscopic parameters such as permittivity become ill-defined. We demonstrate that the microscopic optical force density of nanoplasmonic systems can be defined and calculated using the microscopic fields generated using a self-consistent hydrodynamics model that includes quantum, nonlocal, and retardation effects. We demonstrate this technique by calculating the microscopic optical force density distributions and the optical binding force induced by external light on nanoplasmonic dimers. This approach works even in the limit when the nanoparticles are close enough to each other so that electron tunneling occurs, a regime in which classical electromagnetic approach fails completely. We discover that an uneven distribution of optical force density can lead to a light-induced spinning torque acting on individual particles. The hydrodynamics method offers us an accurate and efficient approach to study optomechanical behavior for plasmonic systems at the nanoscale.
The adaptation of methods in multilayer optics for the calculation of specular neutron reflection
International Nuclear Information System (INIS)
Penfold, J.
1988-10-01
The adaptation of standard methods in multilayer optics to the calculation of specular neutron reflection is described. Their application is illustrated with examples which include a glass optical flat and a deuterated Langmuir-Blodgett film. (author)
Hybrid reduced order modeling for assembly calculations
International Nuclear Information System (INIS)
Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; Mertyurek, Ugur
2015-01-01
Highlights: • Reducing computational cost in engineering calculations. • Reduced order modeling algorithm for multi-physics problem like assembly calculation. • Non-intrusive algorithm with random sampling. • Pattern recognition in the components with high sensitive and large variation. - Abstract: While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.
Hybrid reduced order modeling for assembly calculations
Energy Technology Data Exchange (ETDEWEB)
Bang, Youngsuk, E-mail: ysbang00@fnctech.com [FNC Technology, Co. Ltd., Yongin-si (Korea, Republic of); Abdel-Khalik, Hany S., E-mail: abdelkhalik@purdue.edu [Purdue University, West Lafayette, IN (United States); Jessee, Matthew A., E-mail: jesseema@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Mertyurek, Ugur, E-mail: mertyurek@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States)
2015-12-15
Highlights: • Reducing computational cost in engineering calculations. • Reduced order modeling algorithm for multi-physics problem like assembly calculation. • Non-intrusive algorithm with random sampling. • Pattern recognition in the components with high sensitive and large variation. - Abstract: While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.
A Novel Hybrid Similarity Calculation Model
Directory of Open Access Journals (Sweden)
Xiaoping Fan
2017-01-01
Full Text Available This paper addresses the problems of similarity calculation in the traditional recommendation algorithms of nearest neighbor collaborative filtering, especially the failure in describing dynamic user preference. Proceeding from the perspective of solving the problem of user interest drift, a new hybrid similarity calculation model is proposed in this paper. This model consists of two parts, on the one hand the model uses the function fitting to describe users’ rating behaviors and their rating preferences, and on the other hand it employs the Random Forest algorithm to take user attribute features into account. Furthermore, the paper combines the two parts to build a new hybrid similarity calculation model for user recommendation. Experimental results show that, for data sets of different size, the model’s prediction precision is higher than the traditional recommendation algorithms.
Anatomically accurate, finite model eye for optical modeling.
Liou, H L; Brennan, N A
1997-08-01
There is a need for a schematic eye that models vision accurately under various conditions such as refractive surgical procedures, contact lens and spectacle wear, and near vision. Here we propose a new model eye close to anatomical, biometric, and optical realities. This is a finite model with four aspheric refracting surfaces and a gradient-index lens. It has an equivalent power of 60.35 D and an axial length of 23.95 mm. The new model eye provides spherical aberration values within the limits of empirical results and predicts chromatic aberration for wavelengths between 380 and 750 nm. It provides a model for calculating optical transfer functions and predicting optical performance of the eye.
A revised calculational model for fission
Energy Technology Data Exchange (ETDEWEB)
Atchison, F
1998-09-01
A semi-empirical parametrization has been developed to calculate the fission contribution to evaporative de-excitation of nuclei with a very wide range of charge, mass and excitation-energy and also the nuclear states of the scission products. The calculational model reproduces measured values (cross-sections, mass distributions, etc.) for a wide range of fissioning systems: Nuclei from Ta to Cf, interactions involving nucleons up to medium energy and light ions. (author)
International Nuclear Information System (INIS)
Chang Yiren; Hsu Long; Chi Sien
2006-01-01
Since their invention in 1986, optical tweezers have become a popular manipulation and force measurement tool in cellular and molecular biology. However, until recently there has not been a sophisticated model for optical tweezers on trapping cells in the ray-optics regime. We present a model for optical tweezers to calculate the optical force upon a spherically symmetric multilayer sphere representing a common biological cell. A numerical simulation of this model shows that not only is the magnitude of the optical force upon a Chinese hamster ovary cell significantly three times smaller than that upon a polystyrene bead of the same size, but the distribution of the optical force upon a cell is also much different from that upon a uniform particle, and there is a 30% difference in the optical trapping stiffness of these two cases. Furthermore, under a small variant condition for the refractive indices of any adjacent layers of the sphere, this model provides a simple approximation to calculate the optical force and the stiffness of an optical tweezers system
Optical Imaging and Radiometric Modeling and Simulation
Ha, Kong Q.; Fitzmaurice, Michael W.; Moiser, Gary E.; Howard, Joseph M.; Le, Chi M.
2010-01-01
OPTOOL software is a general-purpose optical systems analysis tool that was developed to offer a solution to problems associated with computational programs written for the James Webb Space Telescope optical system. It integrates existing routines into coherent processes, and provides a structure with reusable capabilities that allow additional processes to be quickly developed and integrated. It has an extensive graphical user interface, which makes the tool more intuitive and friendly. OPTOOL is implemented using MATLAB with a Fourier optics-based approach for point spread function (PSF) calculations. It features parametric and Monte Carlo simulation capabilities, and uses a direct integration calculation to permit high spatial sampling of the PSF. Exit pupil optical path difference (OPD) maps can be generated using combinations of Zernike polynomials or shaped power spectral densities. The graphical user interface allows rapid creation of arbitrary pupil geometries, and entry of all other modeling parameters to support basic imaging and radiometric analyses. OPTOOL provides the capability to generate wavefront-error (WFE) maps for arbitrary grid sizes. These maps are 2D arrays containing digital sampled versions of functions ranging from Zernike polynomials to combination of sinusoidal wave functions in 2D, to functions generated from a spatial frequency power spectral distribution (PSD). It also can generate optical transfer functions (OTFs), which are incorporated into the PSF calculation. The user can specify radiometrics for the target and sky background, and key performance parameters for the instrument s focal plane array (FPA). This radiometric and detector model setup is fairly extensive, and includes parameters such as zodiacal background, thermal emission noise, read noise, and dark current. The setup also includes target spectral energy distribution as a function of wavelength for polychromatic sources, detector pixel size, and the FPA s charge
Precipitates/Salts Model Sensitivity Calculation
Energy Technology Data Exchange (ETDEWEB)
P. Mariner
2001-12-20
The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation on potential seepage waters within a potential repository drift. This work is developed and documented using procedure AP-3.12Q, ''Calculations'', in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The specific objective of this calculation is to examine the sensitivity and uncertainties of the Precipitates/Salts model. The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b). The calculation in the current document examines the effects of starting water composition, mineral suppressions, and the fugacity of carbon dioxide (CO{sub 2}) on the chemical evolution of water in the drift.
Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules
International Nuclear Information System (INIS)
Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.
2016-01-01
The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.
Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules
Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.
2016-12-01
The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized "particle in a box" problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.
Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules
Energy Technology Data Exchange (ETDEWEB)
Li, Hao [Department of Chemistry, University of Houston, Houston, TX 77204 (United States); Wu, Chao [Electronic Structure Lab, Center of Microscopic Theory and Simulation, Frontier Institute of Science and Technology, Xian Jiaotong University, Xian 710054 (China); Malinin, Sergey V. [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chernyak, Vladimir Y., E-mail: chernyak@chem.wayne.edu [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States)
2016-12-20
The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.
EARTHWORK VOLUME CALCULATION FROM DIGITAL TERRAIN MODELS
Directory of Open Access Journals (Sweden)
JANIĆ Milorad
2015-06-01
Full Text Available Accurate calculation of cut and fill volume has an essential importance in many fields. This article shows a new method, which has no approximation, based on Digital Terrain Models. A relatively new mathematical model is developed for that purpose, which is implemented in the software solution. Both of them has been tested and verified in the praxis on several large opencast mines. This application is developed in AutoLISP programming language and works in AutoCAD environment.
Collision models in quantum optics
Ciccarello, Francesco
2017-12-01
Quantum collision models (CMs) provide advantageous case studies for investigating major issues in open quantum systems theory, and especially quantum non-Markovianity. After reviewing their general definition and distinctive features, we illustrate the emergence of a CM in a familiar quantum optics scenario. This task is carried out by highlighting the close connection between the well-known input-output formalism and CMs. Within this quantum optics framework, usual assumptions in the CMs' literature - such as considering a bath of noninteracting yet initially correlated ancillas - have a clear physical origin.
Hybrid reduced order modeling for assembly calculations
Energy Technology Data Exchange (ETDEWEB)
Bang, Y.; Abdel-Khalik, H. S. [North Carolina State University, Raleigh, NC (United States); Jessee, M. A.; Mertyurek, U. [Oak Ridge National Laboratory, Oak Ridge, TN (United States)
2013-07-01
While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system. (authors)
Geometrical optics model of Mie resonances
Roll; Schweiger
2000-07-01
The geometrical optics model of Mie resonances is presented. The ray path geometry is given and the resonance condition is discussed with special emphasis on the phase shift that the rays undergo at the surface of the dielectric sphere. On the basis of this model, approximate expressions for the positions of first-order resonances are given. Formulas for the cavity mode spacing are rederived in a simple manner. It is shown that the resonance linewidth can be calculated regarding the cavity losses. Formulas for the mode density of Mie resonances are given that account for the different width of resonances and thus may be adapted to specific experimental situations.
Model and calculations for net infiltration
International Nuclear Information System (INIS)
Childs, S.W.; Long, A.
1992-01-01
In this paper a conceptual model for calculating net infiltration is developed and implemented. It incorporates the following important factors: viability of climate for the next 10,000 years, areal viability of net infiltration, and important soil/plant factors that affect the soil water budget of desert soils. Model results are expressed in terms of occurrence probabilities for time periods. In addition the variability of net infiltration is demonstrated both for change with time and differences among three soil/hydrologic units present at the site modeled
Reactor Thermal Hydraulic Numerical Calculation And Modeling
International Nuclear Information System (INIS)
Duong Ngoc Hai; Dang The Ba
2008-01-01
In the paper the results of analysis of thermal hydraulic state models using the numerical codes such as COOLOD, EUREKA and RELAP5 for simulation of the reactor thermal hydraulic states are presented. The calculations, analyses of reactor thermal hydraulic state and safety were implemented using different codes. The received numerical results, which were compared each to other, to experiment measurement of Dalat (Vietnam) research reactor and published results, show their appropriateness and capacity for analyses of different appropriate cases. (author)
International Nuclear Information System (INIS)
Hamma, M; Miranda, R P; Vasilevskiy, M I; Zorkani, I
2007-01-01
An accurate calculation of the exciton-phonon interaction matrix elements and Huang-Rhys parameter for nearly spherical nanocrystals (NCs) of polar semiconductor materials is presented. The theoretical approach is based on a continuum lattice dynamics model and the effective mass approximation for electronic states in the NCs. A strong confinement regime is considered for both excitons and optical phonons, taking into account both the Froehlich-type and optical deformation potential (ODP) mechanisms of the exciton-phonon interaction. The effects of exchange electron-hole interaction and possible hexagonal crystal structure of the underlying material are also taken into account. The theory is applied to CdSe and InP quantum dots. It is shown that the ODP mechanism, almost unimportant for CdSe, dominates the exciton-phonon coupling in small InP dots. The effect of the non-diagonal interaction, not included in the Huang-Rhys parameter, is briefly discussed
VIBRATIONAL RAMAN OPTICAL-ACTIVITY CALCULATIONS USING LONDON ATOMIC ORBITALS
DEFF Research Database (Denmark)
Helgaker, T.; Ruud, K.; Bak, Keld L.
1994-01-01
Ab initio calculations of Raman differential intensities are presented at the self-consistent field (SCF) level of theory. The electric dipole-electric dipole, electric dipole-magnetic dipole and electric dipole-electric quadrupole polarizability tensors are calculated at the frequency of the inc...
Optical Coherence Tomography: Advanced Modeling
DEFF Research Database (Denmark)
Andersen, Peter E.; Thrane, Lars; Yura, Harold T.
2013-01-01
- and multiple-scattering regimes is derived. An advanced Monte Carlo model for calculating the OCT signal is also derived, and the validity of this model is shown through a mathematical proof based on the extended Huygens-Fresnel principle. From the analytical model, an algorithm for enhancing OCT images...... are discussed. Finally, the Wigner phase-space distribution function is derived in a closed-form solution, which may have applications in OCT....
Practical model for the calculation of multiply scattered lidar returns
International Nuclear Information System (INIS)
Eloranta, E.W.
1998-01-01
An equation to predict the intensity of the multiply scattered lidar return is presented. Both the scattering cross section and the scattering phase function can be specified as a function of range. This equation applies when the cloud particles are larger than the lidar wavelength. This approximation considers photon trajectories with multiple small-angle forward-scattering events and one large-angle scattering that directs the photon back toward the receiver. Comparisons with Monte Carlo simulations, exact double-scatter calculations, and lidar data demonstrate that this model provides accurate results. copyright 1998 Optical Society of America
Relativistic Band Calculation and the Optical Properties of Gold
DEFF Research Database (Denmark)
Christensen, N Egede; Seraphin, B. O.
1971-01-01
of magnitude as the gaps (approximately 1 eV). Various integrated functions, density of states, joint density of states, and energy distributions of joint density of states are derived from the RAPW calculation. These functions are used in an interpretation of photoemission and static reflectance measurements......The energy band structure of gold is calculated by the relativistic augmented-plane-wave (RAPW) method. A nonrelativistic calculation is also presented, and a comparison between this and the RAPW results demonstrates that the shifts and splittings due to relativistic effects are of the same order...... to trace out the regions in k→ space where the edge and tail transitions occur. It is demonstrated that structure in the static reflection curves are not related to critical points in the band structure. The arguments are supported by calculations of temperature shifts of the critical-point energies...
Updated Collisional Ionization Equilibrium Calculated for Optically Thin Plasmas
Savin, Daniel Wolf; Bryans, P.; Badnell, N. R.; Gorczyca, T. W.; Laming, J. M.; Mitthumsiri, W.
2010-03-01
Reliably interpreting spectra from electron-ionized cosmic plasmas requires accurate ionization balance calculations for the plasma in question. However, much of the atomic data needed for these calculations have not been generated using modern theoretical methods and their reliability are often highly suspect. We have carried out state-of-the-art calculations of dielectronic recombination (DR) rate coefficients for the hydrogenic through Na-like ions of all elements from He to Zn as well as for Al-like to Ar-like ions of Fe. We have also carried out state-of-the-art radiative recombination (RR) rate coefficient calculations for the bare through Na-like ions of all elements from H to Zn. Using our data and the recommended electron impact ionization data of Dere (2007), we present improved collisional ionization equilibrium calculations (Bryans et al. 2006, 2009). We compare our calculated fractional ionic abundances using these data with those presented by Mazzotta et al. (1998) for all elements from H to Ni. This work is supported in part by the NASA APRA and SHP SR&T programs.
Optical Model and Cross Section Uncertainties
Energy Technology Data Exchange (ETDEWEB)
Herman,M.W.; Pigni, M.T.; Dietrich, F.S.; Oblozinsky, P.
2009-10-05
Distinct minima and maxima in the neutron total cross section uncertainties were observed in model calculations using spherical optical potential. We found this oscillating structure to be a general feature of quantum mechanical wave scattering. Specifically, we analyzed neutron interaction with 56Fe from 1 keV up to 65 MeV, and investigated physical origin of the minima.We discuss their potential importance for practical applications as well as the implications for the uncertainties in total and absorption cross sections.
Optical model representation of coupled channel effects
International Nuclear Information System (INIS)
Wall, N.S.; Cowley, A.A.; Johnson, R.C.; Kobas, A.M.
1977-01-01
A modification to the usual 6-parameter Woods-Saxon parameterization of the optical model for the scattering of composite particles is proposed. This additional real term reflects the effect of coupling other channels to the elastic scattering. The analyses favor a repulsive interaction for this term, especially for alpha particles. It is found that the repulsive term when combined with a Woods-Saxon term yields potentials with central values and volume integrals similar to those found by uncoupled elastic scattering calculations. These values are V(r = 0) approximately equal to 125 MeV and J/4A approximately equal to 300 MeV-fm 3
Matrix model calculations beyond the spherical limit
International Nuclear Information System (INIS)
Ambjoern, J.; Chekhov, L.; Kristjansen, C.F.; Makeenko, Yu.
1993-01-01
We propose an improved iterative scheme for calculating higher genus contributions to the multi-loop (or multi-point) correlators and the partition function of the hermitian one matrix model. We present explicit results up to genus two. We develop a version which gives directly the result in the double scaling limit and present explicit results up to genus four. Using the latter version we prove that the hermitian and the complex matrix model are equivalent in the double scaling limit and that in this limit they are both equivalent to the Kontsevich model. We discuss how our results away from the double scaling limit are related to the structure of moduli space. (orig.)
Calculations of nucleus-nucleus microscopic optical potentials at intermediate energies
International Nuclear Information System (INIS)
Hanna, K.M.; Kuhtina, I.N.; Lukyanov, K.V.; Lukyanov, V.K.; Zemlyanaya, E.V.; Slowinski, B.
2006-01-01
Three types of microscopic nucleus-nucleus optical potentials are constructed using three patterns for their real and imaginary parts. Two of these patterns are the real V H and imaginary W H parts of the potential which reproduces the high-energy amplitude of scattering in the microscopic Glauber-Sitenko theory. Another template VDF is calculated within the standard double-folding model with the exchange term included. For either of the three tested potentials, the contribution of real and imaginary patterns is adjusted by introducing two fitted factors. Correspondingly, using numerical code ECIS, the elastic differential cross-sections were fitted to the experimental data on scattering of the 16,17 O heavy-ions at about hundred Mev/nucleon on various target-nuclei. The relativization effect is also included. The tables of the obtained factors which renormalize the strengths of the real and (or) imaginary parts of the calculated microscopic potentials are given
Development of Dynamic Environmental Effect Calculation Model
International Nuclear Information System (INIS)
Jeong, Chang Joon; Ko, Won Il
2010-01-01
The short-term, long-term decay heat, and radioactivity are considered as main environmental parameters of SF and HLA. In this study, the dynamic calculation models for radioactivity, short-term decay heat, and long-term heat load of the SF are developed and incorporated into the Doneness code. The spent fuel accumulation has become a major issue for sustainable operation of nuclear power plants. If a once-through fuel cycle is selected, the SF will be disposed into the repository. Otherwise, in case of fast reactor or reuse cycle, the SF will be reprocessed and the high level waste will be disposed
Cost Calculation Model for Logistics Service Providers
Directory of Open Access Journals (Sweden)
Zoltán Bokor
2012-11-01
Full Text Available The exact calculation of logistics costs has become a real challenge in logistics and supply chain management. It is essential to gain reliable and accurate costing information to attain efficient resource allocation within the logistics service provider companies. Traditional costing approaches, however, may not be sufficient to reach this aim in case of complex and heterogeneous logistics service structures. So this paper intends to explore the ways of improving the cost calculation regimes of logistics service providers and show how to adopt the multi-level full cost allocation technique in logistics practice. After determining the methodological framework, a sample cost calculation scheme is developed and tested by using estimated input data. Based on the theoretical findings and the experiences of the pilot project it can be concluded that the improved costing model contributes to making logistics costing more accurate and transparent. Moreover, the relations between costs and performances also become more visible, which enhances the effectiveness of logistics planning and controlling significantly
Effective hamiltonian calculations using incomplete model spaces
International Nuclear Information System (INIS)
Koch, S.; Mukherjee, D.
1987-01-01
It appears that the danger of encountering ''intruder states'' is substantially reduced if an effective hamiltonian formalism is developed for incomplete model spaces (IMS). In a Fock-space approach, the proof a ''connected diagram theorem'' is fairly straightforward with exponential-type of ansatze for the wave-operator W, provided the normalization chosen for W is separable. Operationally, one just needs a suitable categorization of the Fock-space operators into ''diagonal'' and ''non-diagonal'' parts that is generalization of the corresponding procedure for the complete model space. The formalism is applied to prototypical 2-electron systems. The calculations have been performed on the Cyber 205 super-computer. The authors paid special attention to an efficient vectorization for the construction and solution of the resulting coupled non-linear equations
Unified calculations of the optical band positions and EPR g factors for NaCrS2 crystal
International Nuclear Information System (INIS)
Mei, Yang; Zheng, Wen-Chen; Zhang, Lin
2014-01-01
Six optical band positions and EPR g factors g || , g ⊥ for the trigonal Cr 3+ octahedral clusters in NaCrS 2 crystal are calculated together through the complete diagonalization (of energy matrix) method based on the two-spin–orbit-parameter model, where besides the contribution due to the spin–orbit parameter of central d n ion in the conventional crystal-field theory, the contribution due to the spin–orbit parameter of ligand ion via the covalence effect is also considered. In the calculations, the crystal-field parameters B kl are obtained from the superposition model with the structural data of Cr 3+ octahedral clusters in NaCrS 2 crystal measured exactly by the X-ray diffraction method. The calculated optical and EPR spectral data are in a reasonable agreement with the observed values. So, the reliability of the superposition model in the studies of crystal-field parameters for d n ions in crystals is confirmed, and the complete diagonalization (of energy matrix) method based on the two-spin–orbit-model is effective in the unified calculations of optical and EPR spectral data for d n ions in crystals. - Highlights: • Six optical band positions and g factors g || , g ⊥ of NaCrS 2 are calculated together. • Calculation is using the complete diagonalization (of energy matrix) method. • The diagonalization method is based on the two-spin–orbit-parameter model. • Reliability of superposition model in the studies of CF parameters is confirmed
Acceleration methods and models in Sn calculations
International Nuclear Information System (INIS)
Sbaffoni, M.M.; Abbate, M.J.
1984-01-01
In some neutron transport problems solved by the discrete ordinate method, it is relatively common to observe some particularities as, for example, negative fluxes generation, slow and insecure convergences and solution instabilities. The commonly used models for neutron flux calculation and acceleration methods included in the most used codes were analyzed, in face of their use in problems characterized by a strong upscattering effect. Some special conclusions derived from this analysis are presented as well as a new method to perform the upscattering scaling for solving the before mentioned problems in this kind of cases. This method has been included in the DOT3.5 code (two dimensional discrete ordinates radiation transport code) generating a new version of wider application. (Author) [es
International Nuclear Information System (INIS)
Oosten, A.B. van; Geertsma, W.
1985-01-01
In order to study density of states (DOS) effects on the resistivity of liquid metals and alloys we derive a set of integral equations for these quantities so that this set satisfies the generalized optical theorem. The DOS is calculated up to second order in the scattering potential using renormalized propagators. The theory is applicable to weak scattering systems, for example, alkali and alkaline earth metals and, for example, to Li-Pb alloys for compositions where the mean free path is much larger that the average interatomic distance. From our numerical results we conclude that the Ziman equation for the resistivity should be multiplied by g 2 =N 2 (Esub(F))/N 2 sub(O)(Esub(F)) where N(Esub(F)) is the DOS at the Fermi level as calculated in our model and Nsub(O)(Esub(F)) is the free electron DOS. This solves the long standing problem of whether or not one should correct the Ziman equation by an effective mass correction. Our model is only valid for alloys consisting of atoms with a small difference in electronegativity. This is clearly shown in the results for the liquid Li-Pb system. Some of the existing resistivity theories for weak and intermediate scattering are examined in the light of our calculations. (author)
The Watanabe model for 6Li-nucleus optical potential
International Nuclear Information System (INIS)
Abul-Magd, A.Y.; Rabie, A.; El-Gazzar, M.A.
1980-09-01
Optical potentials for the scattering of 6 Li projectiles are calculated using the Watanabe model and an α+d cluster model wave function for 6 Li. Reasonable fits to the elastic differential cross-section and vector polarization are obtained. (author)
Semiclassical calculations of the imaginary part of the nucleon-nucleus optical potential
International Nuclear Information System (INIS)
Hasse, R.W.; Schuck, P.
1984-03-01
We calculate for finite nuclei the imaginary part of the nucleus-nucleon optical potential on and off shell by using the local Fermi gas approximation and a finite range two-body exchange force. Results are compared with those obtained by infinite nuclear matter calculations as well as using the local density or Glauber approximation
International Nuclear Information System (INIS)
Johansson, Malin B; Niklasson, Gunnar A; Österlund, Lars; Baldissera, Gustavo; Persson, Clas; Valyukh, Iryna; Arwin, Hans
2013-01-01
The optical and electronic properties of nanocrystalline WO 3 thin films prepared by reactive dc magnetron sputtering at different total pressures (P tot ) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low P tot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies E g ≈ 3.1 eV, which increase with increasing P tot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO 3 , and monoclinic γ- and ε-WO 3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO 3 and γ-WO 3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that E g in ε-WO 3 is higher than in the δ-WO 3 and γ-WO 3 phases, which provides an explanation for the P tot dependence of the optical data. (paper)
Johansson, Malin B.; Baldissera, Gustavo; Valyukh, Iryna; Persson, Clas; Arwin, Hans; Niklasson, Gunnar A.; Österlund, Lars
2013-05-01
The optical and electronic properties of nanocrystalline WO3 thin films prepared by reactive dc magnetron sputtering at different total pressures (Ptot) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low Ptot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies Eg ≈ 3.1 eV, which increase with increasing Ptot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO3, and monoclinic γ- and ε-WO3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO3 and γ-WO3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that Eg in ε-WO3 is higher than in the δ-WO3 and γ-WO3 phases, which provides an explanation for the Ptot dependence of the optical data.
Integrable models of quantum optics
Directory of Open Access Journals (Sweden)
Yudson Vladimir
2017-01-01
Full Text Available We give an overview of exactly solvable many-body models of quantum optics. Among them is a system of two-level atoms which interact with photons propagating in a one-dimensional (1D chiral waveguide; exact eigenstates of this system can be explicitly constructed. This approach is used also for a system of closely located atoms in the usual (non-chiral waveguide or in 3D space. Moreover, it is shown that for an arbitrary atomic system with a cascade spontaneous radiative decay, the fluorescence spectrum can be described by an exact analytic expression which accounts for interference of emitted photons. Open questions related with broken integrability are discussed.
Chen, Yunxia; Cui, Yuxuan; Gong, Wenjun
2017-01-01
Static fatigue behavior is the main failure mode of optical fibers applied in sensors. In this paper, a computational framework based on continuum damage mechanics (CDM) is presented to calculate the crack propagation process and failure time of optical fibers subjected to static bending and tensile loads. For this purpose, the static fatigue crack propagation in the glass core of the optical fiber is studied. Combining a finite element method (FEM), we use the continuum damage mechanics for the glass core to calculate the crack propagation path and corresponding failure time. In addition, three factors including bending radius, tensile force and optical fiber diameter are investigated to find their impacts on the crack propagation process and failure time of the optical fiber under concerned situations. Finally, experiments are conducted and the results verify the correctness of the simulation calculation. It is believed that the proposed method could give a straightforward description of the crack propagation path in the inner glass core. Additionally, the predicted crack propagation time of the optical fiber with different factors can provide effective suggestions for improving the long-term usage of optical fibers. PMID:29140284
Optical models of the human eye.
Atchison, David A; Thibos, Larry N
2016-03-01
Optical models of the human eye have been used in visual science for purposes such as providing a framework for explaining optical phenomena in vision, for predicting how refraction and aberrations are affected by change in ocular biometry and as computational tools for exploring the limitations imposed on vision by the optical system of the eye. We address the issue of what is understood by optical model eyes, discussing the 'encyclopaedia' and 'toy train' approaches to modelling. An extensive list of purposes of models is provided. We discuss many of the theoretical types of optical models (also schematic eyes) of varying anatomical accuracy, including single, three and four refracting surface variants. We cover the models with lens structure in the form of nested shells and gradient index. Many optical eye models give accurate predictions only for small angles and small fields of view. If aberrations and image quality are important to consider, such 'paraxial' model eyes must be replaced by 'finite model' eyes incorporating features such as aspheric surfaces, tilts and decentrations, wavelength-dependent media and curved retinas. Many optical model eyes are population averages and must become adaptable to account for age, gender, ethnicity, refractive error and accommodation. They can also be customised for the individual when extensive ocular biometry and optical performance data are available. We consider which optical model should be used for a particular purpose, adhering to the principle that the best model is the simplest fit for the task. We provide a glimpse into the future of optical models of the human eye. This review is interwoven with historical developments, highlighting the important people who have contributed so richly to our understanding of visual optics. © 2016 The Authors. Clinical and Experimental Optometry © 2016 Optometry Australia.
McDougall, Craig; MacDonald, Michael Peter; Ritsch-Marte, Monika
2016-01-01
Many applications in the life-sciences demand non-contact manipulation tools for forceful but nevertheless delicate handling of various types of sample. Moreover, the system should support high-resolution optical imaging. Here we present a hybrid acoustic/optical manipulation system which utilizes a transparent transducer, making it compatible with high-NA imaging in a microfluidic environment. The powerful acoustic trapping within a layered resonator, which is suitable for highly parallel particle handling, is complemented by the flexibility and selectivity of holographic optical tweezers, with the specimens being under high quality optical monitoring at all times. The dual acoustic/optical nature of the system lends itself to optically measure the exact acoustic force map, by means of direct force measurements on an optically trapped particle. For applications with (ultra-)high demand on the precision of the force measurements, the position of the objective used for the high-NA imaging may have significant influence on the acoustic force map in the probe chamber. We have characterized this influence experimentally and the findings were confirmed by model simulations. We show that it is possible to design the chamber and to choose the operating point in such a way as to avoid perturbations due to the objective lens. Moreover, we found that measuring the electrical impedance of the transducer provides an easy indicator for the acoustic resonances. PMID:27025398
Calculation of far-field scattering from nonspherical particles using a geometrical optics approach
Hovenac, Edward A.
1991-01-01
A numerical method was developed using geometrical optics to predict far-field optical scattering from particles that are symmetric about the optic axis. The diffractive component of scattering is calculated and combined with the reflective and refractive components to give the total scattering pattern. The phase terms of the scattered light are calculated as well. Verification of the method was achieved by assuming a spherical particle and comparing the results to Mie scattering theory. Agreement with the Mie theory was excellent in the forward-scattering direction. However, small-amplitude oscillations near the rainbow regions were not observed using the numerical method. Numerical data from spheroidal particles and hemispherical particles are also presented. The use of hemispherical particles as a calibration standard for intensity-type optical particle-sizing instruments is discussed.
Wave-optics modeling of the optical-transport line for passive optical stochastic cooling
Andorf, M. B.; Lebedev, V. A.; Piot, P.; Ruan, J.
2018-03-01
Optical stochastic cooling (OSC) is expected to enable fast cooling of dense particle beams. Transition from microwave to optical frequencies enables an achievement of stochastic cooling rates which are orders of magnitude higher than ones achievable with the classical microwave based stochastic cooling systems. A subsystemcritical to the OSC scheme is the focusing optics used to image radiation from the upstream "pickup" undulator to the downstream "kicker" undulator. In this paper, we present simulation results using wave-optics calculation carried out with the SYNCHROTRON RADIATION WORKSHOP (SRW). Our simulations are performed in support to a proof-of-principle experiment planned at the Integrable Optics Test Accelerator (IOTA) at Fermilab. The calculations provide an estimate of the energy kick received by a 100-MeV electron as it propagates in the kicker undulator and interacts with the electromagnetic pulse it radiated at an earlier time while traveling through the pickup undulator.
Wave-Optics Modeling of the Optical-Transport Line for Passive Optical Stochastic Cooling
Energy Technology Data Exchange (ETDEWEB)
Andorf, M. B. [NICADD, DeKalb; Lebedev, V. A. [Fermilab; Piot, P. [Fermilab; Ruan, J. [Fermilab
2018-03-01
Optical stochastic cooling (OSC) is expected to enable fast cooling of dense particle beams. Transition from microwave to optical frequencies enables an achievement of stochastic cooling rates which are orders of magnitude higher than ones achievable with the classical microwave based stochastic cooling systems. A subsytem critical to the OSC scheme is the focusing optics used to image radiation from the upstream "pickup" undulator to the downstream "kicker" undulator. In this paper, we present simulation results using wave-optics calculation carried out with the {\\sc Synchrotron Radiation Workshop} (SRW). Our simulations are performed in support to a proof-of-principle experiment planned at the Integrable Optics Test Accelerator (IOTA) at Fermilab. The calculations provide an estimate of the energy kick received by a 100-MeV electron as it propagates in the kicker undulator and interacts with the electromagnetic pulse it radiated at an earlier time while traveling through the pickup undulator.
Optical Propagation Modeling for the National Ignition Facility
Energy Technology Data Exchange (ETDEWEB)
Williams, W H; Auerbach, J M; Henesian, M A; Jancaitis, K S; Manes, K R; Mehta, N C; Orth, C D; Sacks, R A; Shaw, M J; Widmayer, C C
2004-01-12
Optical propagation modeling of the National Ignition Facility has been utilized extensively from conceptual design several years ago through to early operations today. In practice we routinely (for every shot) model beam propagation starting from the waveform generator through to the target. This includes the regenerative amplifier, the 4-pass rod amplifier, and the large slab amplifiers. Such models have been improved over time to include details such as distances between components, gain profiles in the laser slabs and rods, transient optical distortions due to the flashlamp heating of laser slabs, measured transmitted and reflected wavefronts for all large optics, the adaptive optic feedback loop, and the frequency converter. These calculations allow nearfield and farfield predictions in good agreement with measurements.
Theoretical study on optical model potential
International Nuclear Information System (INIS)
Lim Hung Gi.
1984-08-01
The optical model potential of non-local effect on the rounded edge of the potential is derived. On the basis of this potential the functional form of the optical model potential, the energy dependence and relationship of its parameters, and the dependency of the values of the parameters on energy change are shown in this paper. (author)
Ab initio calculation of the electronic and optical properties of solid pentacene
International Nuclear Information System (INIS)
Tiago, Murilo L.; Northrup, John E.; Louie, Steve G.
2002-01-01
The optical and electronic properties of crystalline pentacene are studied, using a first-principles Green's-function approach. The quasiparticle energies are calculated within the GW approximation and the electron-hole excitations are computed by solving the Bethe-Salpeter equation. We investigate the role of polymorphism on the electronic energy gap and linear optical spectrum by studying two different crystalline phases: the solution-phase structure and the vapor-phase structure. charge-transfer excitons are found to dominate the optical spectrum. Excitons with sizable binding energies are predicted for both phases
International Nuclear Information System (INIS)
Ingram, W.J.
1987-06-01
The report describes a fiber-optics system model and its computer implementation. This implementation can calculate the bit error ratio (BER) versus time for optical fibers that have been exposed to gamma radiation. The program is designed so that the user may arbitrarily change any or all of the system input variables and produce separate outputs. The primary output of the program is a table of the BER as a function of time. This table may be stored on magnetic media and later incorporated into computer graphic programs. The program was written in FORTRAN 77 for the IBM PC/AT/XT computers. Flow charts and program listings are included in the report
Optical rotation calculated with time-dependent density functional theory: the OR45 benchmark.
Srebro, Monika; Govind, Niranjan; de Jong, Wibe A; Autschbach, Jochen
2011-10-13
Time-dependent density functional theory (TDDFT) computations are performed for 42 organic molecules and three transition metal complexes, with experimental molar optical rotations ranging from 2 to 2 × 10(4) deg cm(2) dmol(-1). The performances of the global hybrid functionals B3LYP, PBE0, and BHLYP, and of the range-separated functionals CAM-B3LYP and LC-PBE0 (the latter being fully long-range corrected), are investigated. The performance of different basis sets is studied. When compared to liquid-phase experimental data, the range-separated functionals do, on average, not perform better than B3LYP and PBE0. Median relative deviations between calculations and experiment range from 25 to 29%. A basis set recently proposed for optical rotation calculations (LPol-ds) on average does not give improved results compared to aug-cc-pVDZ in TDDFT calculations with B3LYP. Individual cases are discussed in some detail, among them norbornenone for which the LC-PBE0 functional produced an optical rotation that is close to available data from coupled-cluster calculations, but significantly smaller in magnitude than the liquid-phase experimental value. Range-separated functionals and BHLYP perform well for helicenes and helicene derivatives. Metal complexes pose a challenge to first-principles calculations of optical rotation.
Vercamer, Vincent; Hunault, Myrtille O. J. Y.; Lelong, Gérald; Haverkort, Maurits W.; Calas, Georges; Arai, Yusuke; Hijiya, Hiroyuki; Paulatto, Lorenzo; Brouder, Christian; Arrio, Marie-Anne; Juhin, Amélie
2016-12-01
Advanced semiempirical calculations have been performed to compute simultaneously optical absorption and K pre-edge x-ray absorption spectra of Fe2 + in four distinct site symmetries found in minerals. The four symmetries, i.e., a distorted octahedron, a distorted tetrahedron, a square planar site, and a trigonal bipyramidal site, are representative of the Fe2 + sites found in crystals and glasses. A particular attention has been paid to the definition of the p -d hybridization Hamiltonian which occurs for noncentrosymmetric symmetries in order to account for electric dipole transitions. For the different sites under study, an excellent agreement between calculations and experiments was found for both optical and x-ray absorption spectra, in particular in terms of relative intensities and energy positions of electronic transitions. To our knowledge, these are the first calculations of optical absorption spectra on Fe2 + placed in such diverse site symmetries, including centrosymmetric sites. The proposed theoretical model should help to interpret the features of both the optical absorption and the K pre-edge absorption spectra of 3 d transition metal ions and to go beyond the usual fingerprint interpretation.
Development of nuclear models for higher energy calculations
International Nuclear Information System (INIS)
Bozoian, M.; Siciliano, E.R.; Smith, R.D.
1988-01-01
Two nuclear models for higher energy calculations have been developed in the regions of high and low energy transfer, respectively. In the former, a relativistic hybrid-type preequilibrium model is compared with data ranging from 60 to 800 MeV. Also, the GNASH exciton preequilibrium-model code with higher energy improvements is compared with data at 200 and 318 MeV. In the region of low energy transfer, nucleon-nucleus scattering is predominately a direct reaction involving quasi-elastic collisions with one or more target nucleons. We discuss various aspects of quasi-elastic scattering which are important in understanding features of cross sections and spin observables. These include (1) contributions from multi-step processes; (2) damping of the continuum response from 2p-2h excitations; (3) the ''optimal'' choice of frame in which to evaluate the nucleon-nucleon amplitudes; and (4) the effect of optical and spin-orbit distortions, which are included in a model based on the RPA the DWIA and the eikonal approximation. 33 refs., 15 figs
Updated thermal model using simplified short-wave radiosity calculations
International Nuclear Information System (INIS)
Smith, J.A.; Goltz, S.M.
1994-01-01
An extension to a forest canopy thermal radiance model is described that computes the short-wave energy flux absorbed within the canopy by solving simplified radiosity equations describing flux transfers between canopy ensemble classes partitioned by vegetation layer and leaf slope. Integrated short-wave reflectance and transmittance-factors obtained from measured leaf optical properties were found to be nearly equal for the canopy studied. Short-wave view factor matrices were approximated by combining the average leaf scattering coefficient with the long-wave view factor matrices already incorporated in the model. Both the updated and original models were evaluated for a dense spruce fir forest study site in Central Maine. Canopy short-wave absorption coefficients estimated from detailed Monte Carlo ray tracing calculations were 0.60, 0.04, and 0.03 for the top, middle, and lower canopy layers corresponding to leaf area indices of 4.0, 1.05, and 0.25. The simplified radiosity technique yielded analogous absorption values of 0.55, 0.03, and 0.01. The resulting root mean square error in modeled versus measured canopy temperatures for all layers was less than 1°C with either technique. Maximum error in predicted temperature using the simplified radiosity technique was approximately 2°C during peak solar heating. (author)
Updated thermal model using simplified short-wave radiosity calculations
Energy Technology Data Exchange (ETDEWEB)
Smith, J. A.; Goltz, S. M.
1994-02-15
An extension to a forest canopy thermal radiance model is described that computes the short-wave energy flux absorbed within the canopy by solving simplified radiosity equations describing flux transfers between canopy ensemble classes partitioned by vegetation layer and leaf slope. Integrated short-wave reflectance and transmittance-factors obtained from measured leaf optical properties were found to be nearly equal for the canopy studied. Short-wave view factor matrices were approximated by combining the average leaf scattering coefficient with the long-wave view factor matrices already incorporated in the model. Both the updated and original models were evaluated for a dense spruce fir forest study site in Central Maine. Canopy short-wave absorption coefficients estimated from detailed Monte Carlo ray tracing calculations were 0.60, 0.04, and 0.03 for the top, middle, and lower canopy layers corresponding to leaf area indices of 4.0, 1.05, and 0.25. The simplified radiosity technique yielded analogous absorption values of 0.55, 0.03, and 0.01. The resulting root mean square error in modeled versus measured canopy temperatures for all layers was less than 1°C with either technique. Maximum error in predicted temperature using the simplified radiosity technique was approximately 2°C during peak solar heating. (author)
Concurrent algorithms for nuclear shell model calculations
International Nuclear Information System (INIS)
Mackenzie, L.M.; Macleod, A.M.; Berry, D.J.; Whitehead, R.R.
1988-01-01
The calculation of nuclear properties has proved very successful for light nuclei, but is limited by the power of the present generation of computers. Starting with an analysis of current techniques, this paper discusses how these can be modified to map parallelism inherent in the mathematics onto appropriate parallel machines. A prototype dedicated multiprocessor for nuclear structure calculations, designed and constructed by the authors, is described and evaluated. The approach adopted is discussed in the context of a number of generically similar algorithms. (orig.)
Calculating computer-generated optical elements to produce arbitrary intensity distributions
International Nuclear Information System (INIS)
Findlay, S.; Nugent, K.A.; Scholten, R.E.
2000-01-01
Full text: We describe preliminary investigation into using a computer to generate optical elements (CGOEs) with phase-only variation, that will produce an arbitrary intensity distribution in a given image plane. An iterative calculation cycles between the CGOE and the image plane and modifies each according to the appropriate constraints. We extend this to the calculation of defined intensity distributions in two separated planes by modifying both phase and intensity at the CGOE
Johns, Maureen; Liu, Hanli
2003-07-01
When light interacts with tissue, it can be absorbed, scattered or reflected. Such quantitative information can be used to characterize the optical properties of tissue, differentiate tissue types in vivo, and identify normal versus diseased tissue. The purpose of this research is to develop an algorithm that determines the reduced scattering coefficient (μs") of tissues from a single optical reflectance spectrum with a small source-detector separation. The basic relationship between μs" and optical reflectance was developed using Monte Carlo simulations. This produced an analytical equation containing μs" as a function of reflectance. To experimentally validate this relationship, a 1.3-mm diameter fiber optic probe containing two 400-micron diameter fibers was used to deliver light to and collect light from Intralipid solutions of various concentrations. Simultaneous measurements from optical reflectance and an ISS oximeter were performed to validate the calculated μs" values determined by the reflectance measurement against the 'gold standard" ISS readings. The calculated μs" values deviate from the expected values by approximately -/+ 5% with Intralipid concentrations between 0.5 - 2.5%. The scattering properties within this concentration range are similar to those of in vivo tissues. Additional calculations are performed to determine the scattering properties of rat brain tissues and to discuss accuracy of the algorithm for measured samples with a broad range of the absorption coefficient (μa).
Shell model calculations for exotic nuclei
International Nuclear Information System (INIS)
Brown, B.A.; Wildenthal, B.H.
1991-01-01
A review of the shell-model approach to understanding the properties of light exotic nuclei is given. Binding energies including p and p-sd model spaces and sd and sd-pf model spaces; cross-shell excitations around 32 Mg, including weak-coupling aspects and mechanisms for lowering the ntw excitations; beta decay properties of neutron-rich sd model, of p-sd and sd-pf model spaces, of proton-rich sd model space; coulomb break-up cross sections are discussed. (G.P.) 76 refs.; 12 figs
Deep-lying hole states in the optical model
International Nuclear Information System (INIS)
Klevansky, S.P.; Lemmer, R.H.
1982-01-01
The strength function for deep-lying hole states in an optical potential is studied by the method of Green's functions. The role of isospin is emphasized. It is shown that, while the main trends of the experimental data on hole states in isotopes of Sn and Pd can be described by an energy independent optical potential, intermediate structures in these data indicate the specific nuclear polarization effects have to be included. This is done by introducing doorway states of good isospin into the optical model potential. Such states consist of neutron hole plus proton core vibrations as well as more complicated excitations that are analog states of proton hole plus neutron core vibrations of the parent nuclear system. Specific calculations for 115 Sn and 103 Pd give satisfactory fits to the strength function data using optical model and doorway state parameters that are reasonable on physical grounds
ECISVIEW. An interactive toolbox for optical model development
International Nuclear Information System (INIS)
Koning, A.J.; Van Wijk, J.J.; Delaroche, J.P.
1997-01-01
The software package ECISVIEW is a graphical interface built around the multi-disciplinary nuclear reaction code ECIS-95. The key feature of the working method is that the user can specify the value of optical potential parameters as any mathematical function of the energy, A, Z or user defined parameters. This enables us to obtain conveniently the optimal optical potential parameters for a given nucleus over the whole energy region of interest. ECISVIEW makes it possible to simultaneously study the dependence of all calculated angular distributions, polarizations and total cross sections on optical model parameters. This method is perhaps more than 100 times faster than the conventional method of preparing an input file, running the code, editing the output file and finally viewing the data with a graphical program. As an example, a spherical 0-200 MeV nucleon optical model for 90 Zr is presented. A demonstration of ECISVIEW has been given at this Specialist's Meeting. (author)
Wave Optical Calculation of Probe Size in Low Energy Scanning Electron Microscope
Czech Academy of Sciences Publication Activity Database
Radlička, Tomáš
2015-01-01
Roč. 21, S4 (2015), s. 212-217 ISSN 1431-9276 R&D Projects: GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : scanning electron microscope * optical calculation Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.730, year: 2015
Yang, Hua; Mi, Wenbo; Bai, Haili; Cheng, Yingchun
2012-01-01
Electronic structure and optical properties of α-FeMO 3 systems (M = Sc, Ti, V, Cr, Cu, Cd or In) have been investigated using first principles calculations. All of the FeMO 3 systems have a large net magnetic moment. The ground state of pure α-Fe 2
Czech Academy of Sciences Publication Activity Database
Zelinka, Jiří; Oral, Martin; Radlička, Tomáš
2015-01-01
Roč. 21, S4 (2015), s. 246-251 ISSN 1431-9276 R&D Projects: GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : electron optical system * calculations of current density Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.730, year: 2015
Sanchez del Rio, Manuel; Dejus, Roger J.
1997-11-01
XOP (X-ray OPtics utilities) is a graphical user interface (GUI) created to execute several computer programs that calculate the basic information needed by a synchrotron beamline scientist (designer or experimentalist). Typical examples of such calculations are: insertion device (undulator or wiggler) spectral and angular distributions, mirror and multilayer reflectivities, and crystal diffraction profiles. All programs are provided to the user under a unified GUI, which greatly simplifies their execution. The XOP optics applications (especially mirror calculations) take their basic input (optical constants, compound and mixture tables) from a flexible file-oriented database, which allows the user to select data from a large number of choices and also to customize their own data sets. XOP includes many mathematical and visualization capabilities. It also permits the combination of reflectivities from several mirrors and filters, and their effect, onto a source spectrum. This feature is very useful when calculating thermal load on a series of optical elements. The XOP interface is written in the IDL (Interactive Data Language). An embedded version of XOP, which freely runs under most Unix platforms (HP, Sun, Dec, Linux, etc) and under Windows95 and NT, is available upon request.
Energy Technology Data Exchange (ETDEWEB)
Sanchez del Rio, M. [European Synchrotron Radiation Facility, Grenoble (France); Dejus, R.J. [Argonne National Lab., IL (United States). Advanced Photon Source
1997-09-01
XOP (X-ray OPtics utilities) is a graphical user interface (GUI) created to execute several computer programs that calculate the basic information needed by a synchrotron beamline scientist (designer or experimentalist). Typical examples of such calculations are: insertion device (undulator or wiggler) spectral and angular distributions, mirror and multilayer reflectivities, and crystal diffraction profiles. All programs are provided to the user under a unified GUI, which greatly simplifies their execution. The XOP optics applications (especially mirror calculations) take their basic input (optical constants, compound and mixture tables) from a flexible file-oriented database, which allows the users to select data from a large number of choices and also to customize their own data sets. XOP includes many mathematical and visualization capabilities. It also permits the combination of reflectivities from several mirrors and filters, and their effect, onto a source spectrum. This feature is very useful when calculating thermal load on a series of optical elements. The XOP interface is written in the IDL (Interactive Data Language). An embedded version of XOP, which freely runs under most Unix platforms (HP, Sun, Dec, Linux, etc) and under Windows95 and NT, is available upon request.
Uncertainty calculation in transport models and forecasts
DEFF Research Database (Denmark)
Manzo, Stefano; Prato, Carlo Giacomo
Transport projects and policy evaluations are often based on transport model output, i.e. traffic flows and derived effects. However, literature has shown that there is often a considerable difference between forecasted and observed traffic flows. This difference causes misallocation of (public...... implemented by using an approach based on stochastic techniques (Monte Carlo simulation and Bootstrap re-sampling) or scenario analysis combined with model sensitivity tests. Two transport models are used as case studies: the Næstved model and the Danish National Transport Model. 3 The first paper...... in a four-stage transport model related to different variable distributions (to be used in a Monte Carlo simulation procedure), assignment procedures and levels of congestion, at both the link and the network level. The analysis used as case study the Næstved model, referring to the Danish town of Næstved2...
New method for calculating the coupling coefficient in graded index optical fibers
Savović, Svetislav; Djordjevich, Alexandar
2018-05-01
A simple method is proposed for determining the mode coupling coefficient D in graded index multimode optical fibers. It only requires observation of the output modal power distribution P(m, z) for one fiber length z as the Gaussian launching modal power distribution changes, with the Gaussian input light distribution centered along the graded index optical fiber axis (θ0 = 0) without radial offset (r0 = 0). A similar method we previously proposed for calculating the coupling coefficient D in a step-index multimode optical fibers where the output angular power distributions P(θ, z) for one fiber length z with the Gaussian input light distribution launched centrally along the step-index optical fiber axis (θ0 = 0) is needed to be known.
Directory of Open Access Journals (Sweden)
Yajie Jiang
2015-06-01
Full Text Available The optical properties of perovskites at ambient temperatures are important both to the design of optimised solar cells as well as in other areas such as the refinement of electronic band structure calculations. Limited previous information on the optical modelling has been published. The experimental fitting parameters for optical constants of CH3NH3PbI3−xClx and CH3NH3PbI3 perovskite films are reported at 297 K as determined by detailed analysis of reflectance and transmittance data. The data in this study is related to the research article “Room temperature optical properties of organic–inorganic lead halide perovskites” in Solar Energy Materials & Solar Cells [1].
Microscopic optical potential calculations of finite nuclei with extended skyrme forces
International Nuclear Information System (INIS)
Yuan Haiji; Ye Weilei; Gao Qin; Shen Qingbiao
1986-01-01
Microscopic optical potential calculations in the Hartree-Fock (HF) approximation with Extended Skyrme forces are investigated. The HF equation is derived from the variation principle and the potential formula of spherical nuclei is obtained by two different ways. Then the calculations for symmetrid nuclei 16 O, 40 Ca and asymmetric nucleus 90 Zr with eight sets of Skyrme force parameters are presented. Our results show that the potential form and variating tendency with incident energy are reasonable and there apparently appears a 'wine-bottle-bottom' shape in the intermediate energy region. Furthermore, our calculations reflect shell effects clearly
Convenient models of the atmosphere: optics and solar radiation
Alexander, Ginsburg; Victor, Frolkis; Irina, Melnikova; Sergey, Novikov; Dmitriy, Samulenkov; Maxim, Sapunov
2017-11-01
Simple optical models of clear and cloudy atmosphere are proposed. Four versions of atmospheric aerosols content are considered: a complete lack of aerosols in the atmosphere, low background concentration (500 cm-3), high concentrations (2000 cm-3) and very high content of particles (5000 cm-3). In a cloud scenario, the model of external mixture is assumed. The values of optical thickness and single scattering albedo for 13 wavelengths are calculated in the short wavelength range of 0.28-0.90 µm, with regard to the molecular absorption bands, that is simulated with triangle function. A comparison of the proposed optical parameters with results of various measurements and retrieval (lidar measurement, sampling, processing radiation measurements) is presented. For a cloudy atmosphere models of single-layer and two-layer atmosphere are proposed. It is found that cloud optical parameters with assuming the "external mixture" agrees with retrieved values from airborne observations. The results of calculating hemispherical fluxes of the reflected and transmitted solar radiation and the radiative divergence are obtained with the Delta-Eddington approach. The calculation is done for surface albedo values of 0, 0.5, 0.9 and for spectral values of the sandy surface. Four values of solar zenith angle: 0°, 30°, 40° and 60° are taken. The obtained values are compared with data of radiative airborne observations. Estimating the local instantaneous radiative forcing of atmospheric aerosols and clouds for considered models is presented together with the heating rate.
Shell model calculations at superdeformed shapes
International Nuclear Information System (INIS)
Nazarewicz, W.; Dobaczewski, J.; Van Isacker, P.
1991-01-01
Spectroscopy of superdeformed nuclear states opens up an exciting possibility to probe new properties of the nuclear mean field. In particular, the unusually deformed atomic nucleus can serve as a microscopic laboratory of quantum-mechanical symmetries of a three dimensional harmonic oscillator. The classifications and coupling schemes characteristic of weakly deformed systems are expected to be modified in the superdeformed world. The ''superdeformed'' symmetries lead to new quantum numbers and new effective interactions that can be employed in microscopic calculations. New classification schemes can be directly related to certain geometrical properties of the nuclear shape. 63 refs., 7 figs
Nuclear structure approach to the calculation of the imaginary alpha-nucleus optical potential
International Nuclear Information System (INIS)
Dermawan, H.; Osterfeld, F.; Madsen, V.A.
1981-01-01
A microscopic calculation of the second-order imaginary optical potential for 40 (Ca(α,α) is made for incident energies of 31 and 100 MeV using RPA transition densities for intermediate excited states. The projectile is treated as an elementary particle, and the alpha-nucleon interaction is normalized by fitting 3 - inelastic cross sections with a folded M3Y potential. The use of an optical Green's function for the intermediate propagator is found to be important. Equivalent local potentials are obtained and used to calculate elastic scattering cross sections. Agreement with low-angle experimental data is fair at 31 MeV, but at 100 MeV the calculated cross sections indicate much too little absorption. 9 figures, 1 table
Use of the optical model in the actinide region
International Nuclear Information System (INIS)
Salvy, J.
1985-11-01
This paper reviews current methods as well as recent developments in the use of optical model for calculating actinide nuclear data in the incident neutron energy range from 10 keV to 20 MeV. Special consideration is given of the general role of the model, parameterization procedures with taking account of nuclear deformations, parameters sets to be recommended, and some utilization problems [fr
Zn-VI quasiparticle gaps and optical spectra from many-body calculations.
Riefer, A; Weber, N; Mund, J; Yakovlev, D R; Bayer, M; Schindlmayr, Arno; Meier, C; Schmidt, W G
2017-06-01
The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the [Formula: see text] (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn-VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe-Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.
Models for Automated Tube Performance Calculations
International Nuclear Information System (INIS)
Brunkhorst, C.
2002-01-01
High power radio-frequency systems, as typically used in fusion research devices, utilize vacuum tubes. Evaluation of vacuum tube performance involves data taken from tube operating curves. The acquisition of data from such graphical sources is a tedious process. A simple modeling method is presented that will provide values of tube currents for a given set of element voltages. These models may be used as subroutines in iterative solutions of amplifier operating conditions for a specific loading impedance
Weniger, Kirsten K.; Muller, Gerhard J.
2005-03-01
In order to achieve esthetic dental restorations, there should be no visible difference between restorative material and treated teeth. This requires a match of the optical properties of both restorative material and natural teeth. These optical properties are determined by absorption and scattering of light emerging not only on the surface but also inside the material. Investigating different dental composites in several shades, a method has been developed to calculate the optical parameters absorption coefficient μa, scattering coefficient μs, anisotropy factor g and reduced scattering coefficient μs'. The method includes sample preparation and measurements of transmittance and reflectance in an integrating sphere spectrometer, followed by inverse Monte Carlo simulations. Determination of optical properties is more precise and comprehensive than with the previously used Kubelka Munk theory because scattering can be looked at separated into pure scattering with the scattering coefficient μs and its direction with the anisotropy factor g. Moreover the use of the inverse Monte Carlo simulation not only minimizes systematic errors and considers the scattering phase function, but also takes into account the measuring geometry. The compilation of a data pool of optical parameters now enables the application of further calculation models as a basis for optimization of the composition of new materials. For example, a prediction of the general color impression for multiple layers can be carried out as well as the calculation of the wavelength dependent penetration depths of light with regard to photo polymerization. Further applications are possible in the area of laser ablation.
Nuclear model calculations below 200 MeV and evaluation prospects
International Nuclear Information System (INIS)
Koning, A.J.; Bersillon, O.; Delaroche, J.P.
1994-08-01
A computational method is outlined for the quantum-mechanical prediction of the whole double-differential energy spectrum. Cross sections as calculated with the code system MINGUS are presented for (n,xn) and (p,xn) reactions on 208 Pb and 209 Bi. Our approach involves a dispersive optical model, comprehensive discrete state calculations, renormalized particle-hole state densities, a combined MSD/MSC model for pre-equilibrium reactions and compound nucleus calculations. The relation with the evaluation of nuclear data files is discussed. (orig.)
Beyond standard model calculations with Sherpa
Energy Technology Data Exchange (ETDEWEB)
Hoeche, Stefan [SLAC National Accelerator Laboratory, Menlo Park, CA (United States); Kuttimalai, Silvan [Durham University, Institute for Particle Physics Phenomenology, Durham (United Kingdom); Schumann, Steffen [Universitaet Goettingen, II. Physikalisches Institut, Goettingen (Germany); Siegert, Frank [Institut fuer Kern- und Teilchenphysik, TU Dresden, Dresden (Germany)
2015-03-01
We present a fully automated framework as part of the Sherpa event generator for the computation of tree-level cross sections in Beyond Standard Model scenarios, making use of model information given in the Universal FeynRules Output format. Elementary vertices are implemented into C++ code automatically and provided to the matrix-element generator Comix at runtime. Widths and branching ratios for unstable particles are computed from the same building blocks. The corresponding decays are simulated with spin correlations. Parton showers, QED radiation and hadronization are added by Sherpa, providing a full simulation of arbitrary BSM processes at the hadron level. (orig.)
International Nuclear Information System (INIS)
Yan Guanghua; Liu, Chihray; Lu Bo; Palta, Jatinder R; Li, Jonathan G
2008-01-01
The purpose of this study was to choose an appropriate head scatter source model for the fast and accurate independent planar dose calculation for intensity-modulated radiation therapy (IMRT) with MLC. The performance of three different head scatter source models regarding their ability to model head scatter and facilitate planar dose calculation was evaluated. A three-source model, a two-source model and a single-source model were compared in this study. In the planar dose calculation algorithm, in-air fluence distribution was derived from each of the head scatter source models while considering the combination of Jaw and MLC opening. Fluence perturbations due to tongue-and-groove effect, rounded leaf end and leaf transmission were taken into account explicitly. The dose distribution was calculated by convolving the in-air fluence distribution with an experimentally determined pencil-beam kernel. The results were compared with measurements using a diode array and passing rates with 2%/2 mm and 3%/3 mm criteria were reported. It was found that the two-source model achieved the best agreement on head scatter factor calculation. The three-source model and single-source model underestimated head scatter factors for certain symmetric rectangular fields and asymmetric fields, but similar good agreement could be achieved when monitor back scatter effect was incorporated explicitly. All the three source models resulted in comparable average passing rates (>97%) when the 3%/3 mm criterion was selected. The calculation with the single-source model and two-source model was slightly faster than the three-source model due to their simplicity
Energy Technology Data Exchange (ETDEWEB)
Yan Guanghua [Department of Nuclear and Radiological Engineering, University of Florida, Gainesville, FL 32611 (United States); Liu, Chihray; Lu Bo; Palta, Jatinder R; Li, Jonathan G [Department of Radiation Oncology, University of Florida, Gainesville, FL 32610-0385 (United States)
2008-04-21
The purpose of this study was to choose an appropriate head scatter source model for the fast and accurate independent planar dose calculation for intensity-modulated radiation therapy (IMRT) with MLC. The performance of three different head scatter source models regarding their ability to model head scatter and facilitate planar dose calculation was evaluated. A three-source model, a two-source model and a single-source model were compared in this study. In the planar dose calculation algorithm, in-air fluence distribution was derived from each of the head scatter source models while considering the combination of Jaw and MLC opening. Fluence perturbations due to tongue-and-groove effect, rounded leaf end and leaf transmission were taken into account explicitly. The dose distribution was calculated by convolving the in-air fluence distribution with an experimentally determined pencil-beam kernel. The results were compared with measurements using a diode array and passing rates with 2%/2 mm and 3%/3 mm criteria were reported. It was found that the two-source model achieved the best agreement on head scatter factor calculation. The three-source model and single-source model underestimated head scatter factors for certain symmetric rectangular fields and asymmetric fields, but similar good agreement could be achieved when monitor back scatter effect was incorporated explicitly. All the three source models resulted in comparable average passing rates (>97%) when the 3%/3 mm criterion was selected. The calculation with the single-source model and two-source model was slightly faster than the three-source model due to their simplicity.
Model calculations for electrochemically etched neutron detectors
International Nuclear Information System (INIS)
Pitt, E.; Scharmann, A.; Werner, B.
1988-01-01
Electrochemical etching has been established as a common method for visualisation of nuclear tracks in solid state nuclear track detectors. Usually the Mason equation, which describes the amplification of the electrical field strength at the track tip, is used to explain the treeing effect of electrochemical etching. The yield of neutron-induced tracks from electrochemically etched CR-39 track detectors was investigated with respect to the electrical parameters. A linear dependence on the response from the macroscopic field strength was measured which could not be explained by the Mason equation. It was found that the reality of a recoil proton track in the detector does not fit the boundary conditions which are necessary when the Mason equation is used. An alternative model was introduced to describe the track and detector geometry in the case of a neutron track detector. The field strength at the track tip was estimated with this model and compared with the experimental data, yielding good agreement. (author)
Model calculation of thermal conductivity in antiferromagnets
Energy Technology Data Exchange (ETDEWEB)
Mikhail, I.F.I., E-mail: ifi_mikhail@hotmail.com; Ismail, I.M.M.; Ameen, M.
2015-11-01
A theoretical study is given of thermal conductivity in antiferromagnetic materials. The study has the advantage that the three-phonon interactions as well as the magnon phonon interactions have been represented by model operators that preserve the important properties of the exact collision operators. A new expression for thermal conductivity has been derived that involves the same terms obtained in our previous work in addition to two new terms. These two terms represent the conservation and quasi-conservation of wavevector that occur in the three-phonon Normal and Umklapp processes respectively. They gave appreciable contributions to the thermal conductivity and have led to an excellent quantitative agreement with the experimental measurements of the antiferromagnet FeCl{sub 2}. - Highlights: • The Boltzmann equations of phonons and magnons in antiferromagnets have been studied. • Model operators have been used to represent the magnon–phonon and three-phonon interactions. • The models possess the same important properties as the exact operators. • A new expression for the thermal conductivity has been derived. • The results showed a good quantitative agreement with the experimental data of FeCl{sub 2}.
Calculating with light using a chip-scale all-optical abacus.
Feldmann, J; Stegmaier, M; Gruhler, N; Ríos, C; Bhaskaran, H; Wright, C D; Pernice, W H P
2017-11-02
Machines that simultaneously process and store multistate data at one and the same location can provide a new class of fast, powerful and efficient general-purpose computers. We demonstrate the central element of an all-optical calculator, a photonic abacus, which provides multistate compute-and-store operation by integrating functional phase-change materials with nanophotonic chips. With picosecond optical pulses we perform the fundamental arithmetic operations of addition, subtraction, multiplication, and division, including a carryover into multiple cells. This basic processing unit is embedded into a scalable phase-change photonic network and addressed optically through a two-pulse random access scheme. Our framework provides first steps towards light-based non-von Neumann arithmetic.
ECISVIEW. An interactive toolbox for optical model development
International Nuclear Information System (INIS)
Koning, A.J.; Van Wijk, J.J.; Delaroche, J.P.
1997-09-01
The software package ECISVIEW is a graphical interface built around the multi-disciplinary nuclear reaction code ECIS-95. The basic purpose of ECISVIEW is the possibility to change optical potential parameters interactively, with the keyboard or the mouse, and to display the calculated result immediately on the screen. The key feature of the working method is that the user can specify the value of optical potential parameters as any mathematical function of the energy, A, Z or user defined parameters. This enables us to obtain conveniently the optimal optical potential parameters for a given nucleus over the whole energy region of interest. ECISVIEW makes it possible to simultaneously study the dependence of all calculated angular distributions, polarizations and total cross sections on optical model parameters. This method is perhaps more than 100 times faster than the conventional method of preparing an input file, running the code, editing the output file and finally viewing the data with a graphical program. ECISVIEW has been developed at ECN in Petten, Netherlands, and has been extensively used at CEA, Bruyeres-le-Chatel, France. A spherical 0-200 MeV nucleon optical model for 90 Zr is presented as an example. 4 figs., 1 tab., 5 refs
XOP: A graphical user interface for spectral calculations and x-ray optics utilities
International Nuclear Information System (INIS)
Dejus, R.J.; Sanchez del Rio, M.
1996-01-01
A graphical user interface, using the Interactive Data Language (IDL) widget toolkit, for calculation of spectral properties of synchrotron radiation sources and for interaction of x-rays with optical elements has been developed. The interface runs presently on three different computer architectures under the Unix operating system endash the Sun-OS, the HP-UX, and the DEC-Unix operating systems. The point-and-click interface is used as a driver program for a variety of codes from different authors written in different computer languages. The execution of codes for calculating synchrotron radiation from undulators, wigglers, and bending magnets is summarized. The computation of optical properties of materials and the x-ray diffraction profiles from crystals in different geometries are also discussed. The interface largely simplifies the use of these codes and may be used without prior knowledge of how to run a particular program. copyright 1996 American Institute of Physics
A computer code 'BEAM' for the ion optics calculation of the JAERI tandem accelerator system
International Nuclear Information System (INIS)
Kikuchi, Shiroh; Takeuchi, Suehiro
1987-11-01
The computer code BEAM is described, together with an outline of the formalism used for the ion optics calculation. The purpose of the code is to obtain the optimum parameters of devices, with which the ion beam is transported through the system without losses. The procedures of the calculation, especially those of searching for the parameters of quadrupole lenses, are discussed in detail. The flow of the code is illustrated as a whole and its constituent subroutines are explained individually. A few resultant beam trajectories and the parameters used to obtain them are shown as examples. (author)
Calculation of the local optical density of states in absorbing and gain media
International Nuclear Information System (INIS)
Di Stefano, O; Fina, N; Savasta, S; Girlanda, R; Pieruccini, M
2010-01-01
The local optical density of states plays a key role in a wide range of phenomena. Near to structures displaying optical absorption or gain, the definition of the photonic local density of states needs to be revised. In this case two operative different definitions can be adopted to characterize photonic structures. The first (ρ A (r, ω)) describes the light intensity at a point r when the material system is illuminated isotropically and corresponds to what can be measured by a near-field microscope. The second (ρ B (r, ω)) gives a measure of vacuum fluctuations and coincides with ρ A (r, ω) in systems with real susceptibility. Scattering calculations in the presence of dielectric and metallic nanostructures show that these two definitions can give rather different results, the difference being proportional to the thermal emission power of the photonic structure. We present a detailed derivation of this result and numerical calculations for nanostructures displaying optical gain. In the presence of amplifying media, ρ B (r, ω) displays regions with negative photon densities, thus failing in describing a power signal. In contrast, ρ A (r, ω), positive definite, properly describes the near-field optical properties of these structures.
International Nuclear Information System (INIS)
Liu Qijun; Liu Zhengtang; Feng Liping; Tian Hao
2010-01-01
We have performed ab-initio total energy calculations using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT) to study structural parameters, mechanical, electronic, chemical bonding and optical properties of cubic BaHfO 3 . The calculated lattice parameter and independent elastic constants are in good agreement with previous theoretical and experimental work. The bulk, shear and Young's modulus, Poisson coefficient, compressibility and Lame constants are obtained using Voigt-Reuss-Hill method and the Debye temperature is estimated using Debye-Grueneisen model, which are consistent with previous results. Electronic and chemical bonding properties have been studied from the calculations of band structure, density of states and charge densities. Furthermore, in order to clarify the mechanism of optical transitions of cubic BaHfO 3 , the complex dielectric function, refractive index, extinction coefficient, reflectivity, absorption efficient, loss function and complex conductivity function are calculated. Then, we have explained the origins of spectral peaks on the basis of the theory of crystal-field and molecular-orbital bonding.
Standard Model theory calculations and experimental tests
International Nuclear Information System (INIS)
Cacciari, M.; Hamel de Monchenault, G.
2015-01-01
To present knowledge, all the physics at the Large Hadron Collider (LHC) can be described in the framework of the Standard Model (SM) of particle physics. Indeed the newly discovered Higgs boson with a mass close to 125 GeV seems to confirm the predictions of the SM. Thus, besides looking for direct manifestations of the physics beyond the SM, one of the primary missions of the LHC is to perform ever more stringent tests of the SM. This requires not only improved theoretical developments to produce testable predictions and provide experiments with reliable event generators, but also sophisticated analyses techniques to overcome the formidable experimental environment of the LHC and perform precision measurements. In the first section, we describe the state of the art of the theoretical tools and event generators that are used to provide predictions for the production cross sections of the processes of interest. In section 2, inclusive cross section measurements with jets, leptons and vector bosons are presented. Examples of differential cross sections, charge asymmetries and the study of lepton pairs are proposed in section 3. Finally, in section 4, we report studies on the multiple production of gauge bosons and constraints on anomalous gauge couplings
Nonlinear optical model for strip plasmonic waveguides
DEFF Research Database (Denmark)
Lysenko, Oleg; Bache, Morten; Lavrinenko, Andrei
2016-01-01
This paper presents a theoretical model of nonlinear optical properties for strip plasmonic waveguides. The particular waveguides geometry that we investigate contains a gold core, adhesion layers, and silicon dioxide cladding. It is shown that the third-order susceptibility of the gold core...... significantly depends on the layer thickness and has the dominant contribution to the effective third-order susceptibility of the long-range plasmon polariton mode. This results in two nonlinear optical effects in plasmonic waveguides, which we experimentally observed and reported in [Opt. Lett. 41, 317 (2016...... approaches. (C) 2016 Optical Society of America...
Model calculations of excitation functions of neutron-induced reactions on Rh
International Nuclear Information System (INIS)
Strohmaier, Brigitte
1995-01-01
Cross sections of neutron-induced reactions on 103 Rh have been calculated by means of the statistical model and the coupled-channels optical model for incident-neutron energies up to 30 MeV. The incentive for this study was a new measurement of the 103 Rh(n, n') 103m Rh cross section which will - together with the present calculations -enter into a dosimetry-reaction evaluation. The validation of the model parameters relied on nuclear-structure data as far as possible. (author)
DEFF Research Database (Denmark)
Stevens, Thomas; Lu, HY
2009-01-01
Understanding loess sedimentation rates is crucial for constraining past atmospheric dust dynamics, regional climatic change and local depositional environments. However, the derivation of loess sedimentation rates is complicated by the lack of available methods for independent calculation......) the influences on sediment grain-size and accumulation; and (ii) their relationship through time and across the depositional region. This uncertainty has led to the widespread use of assumptions concerning the relationship between sedimentation rate and grain-size in order to derive age models and climate...... reconstructions. To address this uncertainty, detailed independent age models, based on optically stimulated luminescence dating, undertaken at 10 to 40 cm intervals at five sections across the Loess Plateau in China, have been used to calculate sedimentation rates and make comparisons with grain-size changes...
Swartjes F; ECO
2003-01-01
Twenty scenarios, differing with respect to land use, soil type and contaminant, formed the basis for calculating human exposure from soil contaminants with the use of models contributed by seven European countries (one model per country). Here, the human exposures to children and children
Modeling and optimization of LCD optical performance
Yakovlev, Dmitry A; Kwok, Hoi-Sing
2015-01-01
The aim of this book is to present the theoretical foundations of modeling the optical characteristics of liquid crystal displays, critically reviewing modern modeling methods and examining areas of applicability. The modern matrix formalisms of optics of anisotropic stratified media, most convenient for solving problems of numerical modeling and optimization of LCD, will be considered in detail. The benefits of combined use of the matrix methods will be shown, which generally provides the best compromise between physical adequacy and accuracy with computational efficiency and optimization fac
Analysis of a Thin Optical Lens Model
Ivchenko, Vladimir V.
2011-01-01
In this article a thin optical lens model is considered. It is shown that the limits of its applicability are determined not only by the ratio between the thickness of the lens and the modules of the radii of curvature, but above all its geometric type. We have derived the analytical criteria for the applicability of the model for different types…
Su, Peiran; Eri, Qitai; Wang, Qiang
2014-04-10
Optical roughness was introduced into the bidirectional reflectance distribution function (BRDF) model to simulate the reflectance characteristics of thermal radiation. The optical roughness BRDF model stemmed from the influence of surface roughness and wavelength on the ray reflectance calculation. This model was adopted to simulate real metal emissivity. The reverse Monte Carlo method was used to display the distribution of reflectance rays. The numerical simulations showed that the optical roughness BRDF model can calculate the wavelength effect on emissivity and simulate the real metal emissivity variance with incidence angles.
Precipitates/Salts Model Calculations for Various Drift Temperature Environments
International Nuclear Information System (INIS)
Marnier, P.
2001-01-01
The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation within a repository drift. This work is developed and documented using procedure AP-3.12Q, Calculations, in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The primary objective of this calculation is to predict the effects of evaporation on the abstracted water compositions established in ''EBS Incoming Water and Gas Composition Abstraction Calculations for Different Drift Temperature Environments'' (BSC 2001c). A secondary objective is to predict evaporation effects on observed Yucca Mountain waters for subsequent cement interaction calculations (BSC 2001d). The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b)
Novel applications of the dispersive optical model
Dickhoff, W. H.; Charity, R. J.; Mahzoon, M. H.
2017-03-01
A review of recent developments of the dispersive optical model (DOM) is presented. Starting from the original work of Mahaux and Sartor, several necessary steps are developed and illustrated which increase the scope of the DOM allowing its interpretation as generating an experimentally constrained functional form of the nucleon self-energy. The method could therefore be renamed as the dispersive self-energy method. The aforementioned steps include the introduction of simultaneous fits of data for chains of isotopes or isotones allowing a data-driven extrapolation for the prediction of scattering cross sections and level properties in the direction of the respective drip lines. In addition, the energy domain for data was enlarged to include results up to 200 MeV where available. An important application of this work was implemented by employing these DOM potentials to the analysis of the (d, p) transfer reaction using the adiabatic distorted wave approximation. We review these calculations which suggest that physically meaningful results are easier to obtain by employing DOM ingredients as compared to the traditional approach which relies on a phenomenologically-adjusted bound-state wave function combined with a global (nondispersive) optical-model potential. Application to the exotic 132Sn nucleus also shows great promise for the extrapolation of DOM potentials towards the drip line with attendant relevance for the physics of FRIB. We note that the DOM method combines structure and reaction information on the same footing providing a unique approach to the analysis of exotic nuclei. We illustrate the importance of abandoning the custom of representing the non-local Hartree-Fock (HF) potential in the DOM by an energy-dependent local potential as it impedes the proper normalization of the solution of the Dyson equation. This important step allows for the interpretation of the DOM potential as representing the nucleon self-energy permitting the calculations of
DIGA/NSL new calculational model in slab geometry
International Nuclear Information System (INIS)
Makai, M.; Gado, J.; Kereszturi, A.
1987-04-01
A new calculational model is presented based on a modified finite-difference algorithm, in which the coefficients are determined by means of the so-called gamma matrices. The DIGA program determines the gamma matrices and the NSL program realizes the modified finite difference model. Both programs assume slab cell geometry, DIGA assumes 2 energy groups and 3 diffusive regions. The DIGA/NSL programs serve to study the new calculational model. (author)
FDTD method and models in optical education
Lin, Xiaogang; Wan, Nan; Weng, Lingdong; Zhu, Hao; Du, Jihe
2017-08-01
In this paper, finite-difference time-domain (FDTD) method has been proposed as a pedagogical way in optical education. Meanwhile, FDTD solutions, a simulation software based on the FDTD algorithm, has been presented as a new tool which helps abecedarians to build optical models and to analyze optical problems. The core of FDTD algorithm is that the time-dependent Maxwell's equations are discretized to the space and time partial derivatives, and then, to simulate the response of the interaction between the electronic pulse and the ideal conductor or semiconductor. Because the solving of electromagnetic field is in time domain, the memory usage is reduced and the simulation consequence on broadband can be obtained easily. Thus, promoting FDTD algorithm in optical education is available and efficient. FDTD enables us to design, analyze and test modern passive and nonlinear photonic components (such as bio-particles, nanoparticle and so on) for wave propagation, scattering, reflection, diffraction, polarization and nonlinear phenomena. The different FDTD models can help teachers and students solve almost all of the optical problems in optical education. Additionally, the GUI of FDTD solutions is so friendly to abecedarians that learners can master it quickly.
International Nuclear Information System (INIS)
Albrecht, Stefan
1999-01-01
A method for the inclusion of self-energy and excitonic effects in first-principle calculations of absorption spectra, within the state-of-the-art plane wave pseudopotential approach, is presented. Starting from a ground state calculation, using density functional theory (DFT) in the local density approximation (LDA), we correct the exchange-correlation potential of DFT-LDA with the self-energy applying Hedin's GW approximation to obtain the physical quasiparticles states. The electron-hole interaction is treated solving an effective two-particle equation, which we derive from Hedin's coupled integral equations, leading to the fundamental Bethe-Salpeter equation in an intermediate step. The interaction kernel contains the screened electron-hole Coulomb interaction and the electron-hole exchange effects, which reflect the microscopic structure of the system and are thus also called local-field effects. We obtain the excitonic eigenstates through diagonalization. This allows us a detailed analysis of the optical properties. The application of symmetry properties enables us to reduce the size of the two-particle Hamiltonian matrix, thus minimizing the computational effort. We apply our method to silicon, diamond, lithium oxide and the sodium tetramer. Good agreement with experiment is obtained for the absorption spectra of Si and diamond, the static dielectric constant of diamond, and for the onset of optical absorption of Li 2 O due to discrete bound excitons. We discuss various approximations of our method and show the strong mixing of independent particle transitions to a bound excitonic state in the Na 4 cluster. The influence of ground state calculations on optical spectra is investigated under particular consideration of the pseudopotential generation and we discuss the use of different Brillouin zone point sampling schemes for spectral calculations. (author) [fr
The optical model in atomic physics
International Nuclear Information System (INIS)
McCarthy, I.E.
1978-01-01
The optical model for electron scattering on atoms has quite a short history in comparison with nuclear physics. The main reason for this is that there were insufficient data. Angular distribution for elastic and some inelastic scattering have now been measured for the atoms which exist in gaseous form at reasonable temperatures, inert gases, hydrogen, alkalies and mercury being the main ones out in. The author shows that the optical model makes sense in atomic physics by considering its theory and recent history. (orig./AH) [de
A universal calculation model for the controlled electric transmission line
International Nuclear Information System (INIS)
Zivzivadze, O.; Zivzivadze, L.
2009-01-01
Difficulties associated with the development of calculation models are analyzed, and the ways of resolution of these problems are given. A version of the equivalent circuit as a six-pole network, the parameters of which do not depend on the angle of shift Θ between the voltage vectors of circuits is offered. The interrelation between the parameters of the equivalent circuit and the transmission constants of the line was determined. A universal calculation model for the controlled electric transmission line was elaborated. The model allows calculating the stationary modes of lines of such classes at any angle of shift Θ between the circuits. (author)
ECP evaluation by water radiolysis and ECP model calculations
Energy Technology Data Exchange (ETDEWEB)
Hanawa, S.; Nakamura, T.; Uchida, S. [Japan Atomic Energy Agency, Tokai-mura, Ibaraki (Japan); Kus, P.; Vsolak, R.; Kysela, J. [Nuclear Research Inst. Rez plc, Rez (Czech Republic)
2010-07-01
In-pile ECP measurements data was evaluated by water radiolysis calculations. The data was obtained by using an in-pile loop in an experimental reactor, LVR-15, at the Nuclear Research Institute (NRI) in Czech Republic. Three types of ECP sensors, a Pt electrode, an Ag/AgCl sensor and a zirconia membrane sensor containing Ag/Ag{sub 2}O were used at several levels of the irradiation rig at various neutron flux and gamma rates. For water radiolysis calculation, the in-pile loop was modeled to several nodes following their design specifications, operating conditions such as flow rates, dose rate distributions of neutron and gamma-ray and so on. Concentration of chemical species along the water flow was calculated by a radiolysis code, WRAC-J. The radiolysis calculation results were transferred to an ECP model. In the model, anodic and cathodic current densities were calculated with combination of an electrochemistry model and an oxide film growth model. The measured ECP data were compared with the radiolysis/ECP calculation results, and applicability the of radiolysis model was confirmed. In addition, anomalous phenomenon appears in the in-pile loop was also investigated by radiolysis calculations. (author)
Yang, Hua
2012-01-01
Electronic structure and optical properties of α-FeMO 3 systems (M = Sc, Ti, V, Cr, Cu, Cd or In) have been investigated using first principles calculations. All of the FeMO 3 systems have a large net magnetic moment. The ground state of pure α-Fe 2O 3 is an antiferromagnetic insulator. For M = Cu or Cd, the systems are half-metallic. Strong absorption in the visible region can be observed in the Cu and Cd-doped systems. Systems with M = Sc, Ti, V, Cr or In are not half-metallic and are insulators. The strongest peaks shift toward shorter wavelengths in the absorption spectra. It is concluded that transition metal doping can modify the electronic structure and optical properties of α-FeMO 3 systems. This journal is © 2012 The Royal Society of Chemistry.
Calculation of fast neutron dose in plastic-coated optical fibers
International Nuclear Information System (INIS)
Siebert, B.R.L.; Henschel, H.
1998-01-01
The dose of fast neutrons in optical fibers with hydrogen-containing coating materials is considerably increased by energetic recoil protons. Their contribution to the dose in a SiO 2 fiber core is calculated by the Monte Carlo method for different fiber geometries and a fiber optic cable. With 14 MeV neutrons the dose in a single fiber is increased by about 21%, whereas in fiber bundles the dose increase can reach about 170%. Maximum dose enhancement in fiber bundles (about 610%) occurs at neutron energies around 5.5 MeV. The dose increase caused by 14 MeV neutrons in the fiber of a typical laboratory cable is about 124%
Directory of Open Access Journals (Sweden)
Uğur YALÇIN
2004-02-01
Full Text Available In this study, quasi-optical scattering of finite source electromagnetic waves from a dielectric coated cylindrical surface is analysed with Physical Optics (PO approach. A linear electrical current source is chosen as the finite source. Reflection coefficient of the cylindrical surface is derived by using Geometrical Theory of Diffraction (GTD. Then, with the help of this coefficient, fields scattered from the surface are obtained. These field expressions are used in PO approach and surface scattering integral is determined. Evaluating this integral asymptotically, fields reflected from the surface and surface divergence coefficient are calculated. Finally, results obtained in this study are evaluated numerically and effects of the surface impedance to scattered fields are analysed. The time factor is taken as j te? in this study.
Comparative calculations and validation studies with atmospheric dispersion models
International Nuclear Information System (INIS)
Paesler-Sauer, J.
1986-11-01
This report presents the results of an intercomparison of different mesoscale dispersion models and measured data of tracer experiments. The types of models taking part in the intercomparison are Gaussian-type, numerical Eulerian, and Lagrangian dispersion models. They are suited for the calculation of the atmospherical transport of radionuclides released from a nuclear installation. For the model intercomparison artificial meteorological situations were defined and corresponding arithmetical problems were formulated. For the purpose of model validation real dispersion situations of tracer experiments were used as input data for model calculations; in these cases calculated and measured time-integrated concentrations close to the ground are compared. Finally a valuation of the models concerning their efficiency in solving the problems is carried out by the aid of objective methods. (orig./HP) [de
Energy Technology Data Exchange (ETDEWEB)
Poludniowski, Gavin G. [Joint Department of Physics, Division of Radiotherapy and Imaging, Institute of Cancer Research and Royal Marsden NHS Foundation Trust, Downs Road, Sutton, Surrey SM2 5PT, United Kingdom and Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Evans, Philip M. [Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)
2013-04-15
Purpose: Monte Carlo methods based on the Boltzmann transport equation (BTE) have previously been used to model light transport in powdered-phosphor scintillator screens. Physically motivated guesses or, alternatively, the complexities of Mie theory have been used by some authors to provide the necessary inputs of transport parameters. The purpose of Part II of this work is to: (i) validate predictions of modulation transform function (MTF) using the BTE and calculated values of transport parameters, against experimental data published for two Gd{sub 2}O{sub 2}S:Tb screens; (ii) investigate the impact of size-distribution and emission spectrum on Mie predictions of transport parameters; (iii) suggest simpler and novel geometrical optics-based models for these parameters and compare to the predictions of Mie theory. A computer code package called phsphr is made available that allows the MTF predictions for the screens modeled to be reproduced and novel screens to be simulated. Methods: The transport parameters of interest are the scattering efficiency (Q{sub sct}), absorption efficiency (Q{sub abs}), and the scatter anisotropy (g). Calculations of these parameters are made using the analytic method of Mie theory, for spherical grains of radii 0.1-5.0 {mu}m. The sensitivity of the transport parameters to emission wavelength is investigated using an emission spectrum representative of that of Gd{sub 2}O{sub 2}S:Tb. The impact of a grain-size distribution in the screen on the parameters is investigated using a Gaussian size-distribution ({sigma}= 1%, 5%, or 10% of mean radius). Two simple and novel alternative models to Mie theory are suggested: a geometrical optics and diffraction model (GODM) and an extension of this (GODM+). Comparisons to measured MTF are made for two commercial screens: Lanex Fast Back and Lanex Fast Front (Eastman Kodak Company, Inc.). Results: The Mie theory predictions of transport parameters were shown to be highly sensitive to both grain size
Model calculations of nuclear data for biologically-important elements
International Nuclear Information System (INIS)
Chadwick, M.B.; Blann, M.; Reffo, G.; Young, P.G.
1994-05-01
We describe calculations of neutron-induced reactions on carbon and oxygen for incident energies up to 70 MeV, the relevant clinical energy in radiation neutron therapy. Our calculations using the FKK-GNASH, GNASH, and ALICE codes are compared with experimental measurements, and their usefulness for modeling reactions on biologically-important elements is assessed
Electronic and optical properties of GaN under pressure: DFT calculations
Javaheri, Sahar; Boochani, Arash; Babaeipour, Manuchehr; Naderi, Sirvan
2017-12-01
Optical and electronic properties of ZB, RS and WZ structures of gallium nitride (GaN) are studied in equilibrium and under pressure using the first-principles calculation in the density functional theory (DFT) framework to obtain quantities like dielectric function, loss function, reflectance and absorption spectra, refractive index and their relation parameters. The electronic properties are studied using EV-GGA and GGA approximations and the results calculated by EV-GGA approximation were found to be much closer to the experimental results. The interband electron transitions are studied using the band structure and electron transition peaks in the imaginary part of the dielectric function; these transitions occur in three structures from N-2p orbital to Ga-4s and Ga-4p orbitals in the conduction band. Different optical properties of WZ structure were calculated in two polarization directions of (100) and (001) and the results were close to each other. Plasmon energy corresponding to the main peak of the energy-loss function in RS with the value of 26 eV was the highest one, which increased under pressure. In general, RS shows more different properties than WZ and ZB.
In-Drift Microbial Communities Model Validation Calculations
Energy Technology Data Exchange (ETDEWEB)
D. M. Jolley
2001-09-24
The objective and scope of this calculation is to create the appropriate parameter input for MING 1.0 (CSCI 30018 V1.0, CRWMS M&O 1998b) that will allow the testing of the results from the MING software code with both scientific measurements of microbial populations at the site and laboratory and with natural analogs to the site. This set of calculations provides results that will be used in model validation for the ''In-Drift Microbial Communities'' model (CRWMS M&O 2000) which is part of the Engineered Barrier System Department (EBS) process modeling effort that eventually will feed future Total System Performance Assessment (TSPA) models. This calculation is being produced to replace MING model validation output that is effected by the supersession of DTN MO9909SPAMING1.003 using its replacement DTN MO0106SPAIDM01.034 so that the calculations currently found in the ''In-Drift Microbial Communities'' AMR (CRWMS M&O 2000) will be brought up to date. This set of calculations replaces the calculations contained in sections 6.7.2, 6.7.3 and Attachment I of CRWMS M&O (2000) As all of these calculations are created explicitly for model validation, the data qualification status of all inputs can be considered corroborative in accordance with AP-3.15Q. This work activity has been evaluated in accordance with the AP-2.21 procedure, ''Quality Determinations and Planning for Scientific, Engineering, and Regulatory Compliance Activities'', and is subject to QA controls (BSC 2001). The calculation is developed in accordance with the AP-3.12 procedure, Calculations, and prepared in accordance with the ''Technical Work Plan For EBS Department Modeling FY 01 Work Activities'' (BSC 2001) which includes controls for the management of electronic data.
In-Drift Microbial Communities Model Validation Calculation
Energy Technology Data Exchange (ETDEWEB)
D. M. Jolley
2001-10-31
The objective and scope of this calculation is to create the appropriate parameter input for MING 1.0 (CSCI 30018 V1.0, CRWMS M&O 1998b) that will allow the testing of the results from the MING software code with both scientific measurements of microbial populations at the site and laboratory and with natural analogs to the site. This set of calculations provides results that will be used in model validation for the ''In-Drift Microbial Communities'' model (CRWMS M&O 2000) which is part of the Engineered Barrier System Department (EBS) process modeling effort that eventually will feed future Total System Performance Assessment (TSPA) models. This calculation is being produced to replace MING model validation output that is effected by the supersession of DTN MO9909SPAMING1.003 using its replacement DTN MO0106SPAIDM01.034 so that the calculations currently found in the ''In-Drift Microbial Communities'' AMR (CRWMS M&O 2000) will be brought up to date. This set of calculations replaces the calculations contained in sections 6.7.2, 6.7.3 and Attachment I of CRWMS M&O (2000) As all of these calculations are created explicitly for model validation, the data qualification status of all inputs can be considered corroborative in accordance with AP-3.15Q. This work activity has been evaluated in accordance with the AP-2.21 procedure, ''Quality Determinations and Planning for Scientific, Engineering, and Regulatory Compliance Activities'', and is subject to QA controls (BSC 2001). The calculation is developed in accordance with the AP-3.12 procedure, Calculations, and prepared in accordance with the ''Technical Work Plan For EBS Department Modeling FY 01 Work Activities'' (BSC 2001) which includes controls for the management of electronic data.
IN-DRIFT MICROBIAL COMMUNITIES MODEL VALIDATION CALCULATIONS
Energy Technology Data Exchange (ETDEWEB)
D.M. Jolley
2001-12-18
The objective and scope of this calculation is to create the appropriate parameter input for MING 1.0 (CSCI 30018 V1.0, CRWMS M&O 1998b) that will allow the testing of the results from the MING software code with both scientific measurements of microbial populations at the site and laboratory and with natural analogs to the site. This set of calculations provides results that will be used in model validation for the ''In-Drift Microbial Communities'' model (CRWMS M&O 2000) which is part of the Engineered Barrier System Department (EBS) process modeling effort that eventually will feed future Total System Performance Assessment (TSPA) models. This calculation is being produced to replace MING model validation output that is effected by the supersession of DTN M09909SPAMINGl.003 using its replacement DTN M00106SPAIDMO 1.034 so that the calculations currently found in the ''In-Drift Microbial Communities'' AMR (CRWMS M&O 2000) will be brought up to date. This set of calculations replaces the calculations contained in sections 6.7.2, 6.7.3 and Attachment I of CRWMS M&O (2000) As all of these calculations are created explicitly for model validation, the data qualification status of all inputs can be considered corroborative in accordance with AP-3.15Q. This work activity has been evaluated in accordance with the AP-2.21 procedure, ''Quality Determinations and Planning for Scientific, Engineering, and Regulatory Compliance Activities'', and is subject to QA controls (BSC 2001). The calculation is developed in accordance with the AP-3.12 procedure, Calculations, and prepared in accordance with the ''Technical Work Plan For EBS Department Modeling FY 01 Work Activities'' (BSC 200 1) which includes controls for the management of electronic data.
In-Drift Microbial Communities Model Validation Calculations
International Nuclear Information System (INIS)
Jolley, D.M.
2001-01-01
The objective and scope of this calculation is to create the appropriate parameter input for MING 1.0 (CSCI 30018 V1.0, CRWMS MandO 1998b) that will allow the testing of the results from the MING software code with both scientific measurements of microbial populations at the site and laboratory and with natural analogs to the site. This set of calculations provides results that will be used in model validation for the ''In-Drift Microbial Communities'' model (CRWMS MandO 2000) which is part of the Engineered Barrier System Department (EBS) process modeling effort that eventually will feed future Total System Performance Assessment (TSPA) models. This calculation is being produced to replace MING model validation output that is effected by the supersession of DTN MO9909SPAMING1.003 using its replacement DTN MO0106SPAIDM01.034 so that the calculations currently found in the ''In-Drift Microbial Communities'' AMR (CRWMS MandO 2000) will be brought up to date. This set of calculations replaces the calculations contained in sections 6.7.2, 6.7.3 and Attachment I of CRWMS MandO (2000) As all of these calculations are created explicitly for model validation, the data qualification status of all inputs can be considered corroborative in accordance with AP-3.15Q. This work activity has been evaluated in accordance with the AP-2.21 procedure, ''Quality Determinations and Planning for Scientific, Engineering, and Regulatory Compliance Activities'', and is subject to QA controls (BSC 2001). The calculation is developed in accordance with the AP-3.12 procedure, Calculations, and prepared in accordance with the ''Technical Work Plan For EBS Department Modeling FY 01 Work Activities'' (BSC 2001) which includes controls for the management of electronic data
IN-DRIFT MICROBIAL COMMUNITIES MODEL VALIDATION CALCULATIONS
International Nuclear Information System (INIS)
D.M. Jolley
2001-01-01
The objective and scope of this calculation is to create the appropriate parameter input for MING 1.0 (CSCI 30018 V1.0, CRWMS M andO 1998b) that will allow the testing of the results from the MING software code with both scientific measurements of microbial populations at the site and laboratory and with natural analogs to the site. This set of calculations provides results that will be used in model validation for the ''In-Drift Microbial Communities'' model (CRWMS M andO 2000) which is part of the Engineered Barrier System Department (EBS) process modeling effort that eventually will feed future Total System Performance Assessment (TSPA) models. This calculation is being produced to replace MING model validation output that is effected by the supersession of DTN M09909SPAMINGl.003 using its replacement DTN M00106SPAIDMO 1.034 so that the calculations currently found in the ''In-Drift Microbial Communities'' AMR (CRWMS M andO 2000) will be brought up to date. This set of calculations replaces the calculations contained in sections 6.7.2, 6.7.3 and Attachment I of CRWMS M andO (2000) As all of these calculations are created explicitly for model validation, the data qualification status of all inputs can be considered corroborative in accordance with AP-3.15Q. This work activity has been evaluated in accordance with the AP-2.21 procedure, ''Quality Determinations and Planning for Scientific, Engineering, and Regulatory Compliance Activities'', and is subject to QA controls (BSC 2001). The calculation is developed in accordance with the AP-3.12 procedure, Calculations, and prepared in accordance with the ''Technical Work Plan For EBS Department Modeling FY 01 Work Activities'' (BSC 200 1) which includes controls for the management of electronic data
Hualien forced vibration calculation with a finite element model
International Nuclear Information System (INIS)
Wang, F.; Gantenbein, F.; Nedelec, M.; Duretz, Ch.
1995-01-01
The forced vibration tests of the Hualien mock-up were useful to validate finite element models developed for soil-structure interaction. In this paper the two sets of tests with and without backfill were analysed. the methods used are based on finite element modeling for the soil. Two approaches were considered: calculation of soil impedance followed by the calculation of the transfer functions with a model taking into account the superstructure and the impedance; direct calculation of the soil-structure transfer functions, with the soil and the structure being represented in the same model by finite elements. Blind predictions and post-test calculations are presented and compared with the test results. (author). 4 refs., 8 figs., 2 tabs
Experimental evaluation of analytical penumbra calculation model for wobbled beams
International Nuclear Information System (INIS)
Kohno, Ryosuke; Kanematsu, Nobuyuki; Yusa, Ken; Kanai, Tatsuaki
2004-01-01
The goal of radiotherapy is not only to apply a high radiation dose to a tumor, but also to avoid side effects in the surrounding healthy tissue. Therefore, it is important for carbon-ion treatment planning to calculate accurately the effects of the lateral penumbra. In this article, for wobbled beams under various irradiation conditions, we focus on the lateral penumbras at several aperture positions of one side leaf of the multileaf collimator. The penumbras predicted by an analytical penumbra calculation model were compared with the measured results. The results calculated by the model for various conditions agreed well with the experimental ones. In conclusion, we found that the analytical penumbra calculation model could predict accurately the measured results for wobbled beams and it was useful for carbon-ion treatment planning to apply the model
A methodology for constructing the calculation model of scientific spreadsheets
Vos, de M.; Wielemaker, J.; Schreiber, G.; Wielinga, B.; Top, J.L.
2015-01-01
Spreadsheets models are frequently used by scientists to analyze research data. These models are typically described in a paper or a report, which serves as single source of information on the underlying research project. As the calculation workflow in these models is not made explicit, readers are
Mendoza, Carlos I.; Reyes, J. Adrian
2006-08-01
The authors present a geometrical approach to calculate the transmission of light in a hybrid-aligned nematic cell under the influence of an applied electric field. Using the framework of geometrical optics they present results for the ray tracing as well as the transmission of light as a function of the applied low frequency voltage. Dispersion effects are included through a wavelength dependent dielectric function. Their results for the transmittance as a function of the applied voltage show oscillations that are in good qualitative agreement with previously obtained experimental measurements.
A simple formalism for diffusion coefficient calculations in cells having a small optical thickness
International Nuclear Information System (INIS)
Benoist, Pierre.
1980-04-01
A very simple formalism, using directionnal first flight collision probabilities, is established; it is assigned to the calculation of the diffusion coefficients in cells having a small optical thickness. This formalism can be used, at least as a first approximation, in lattices of sodium-cooled fast reactors or of light water reactors. However, due to the two assumptions -cylindricalization of the cell and restriction to the zeroth order term in B 2 (k)- this formalissm cannot be used for sodium-voided or gas-cooled fast reactor lattices [fr
Mathematical models for calculating radiation dose to the fetus
International Nuclear Information System (INIS)
Watson, E.E.
1992-01-01
Estimates of radiation dose from radionuclides inside the body are calculated on the basis of energy deposition in mathematical models representing the organs and tissues of the human body. Complex models may be used with radiation transport codes to calculate the fraction of emitted energy that is absorbed in a target tissue even at a distance from the source. Other models may be simple geometric shapes for which absorbed fractions of energy have already been calculated. Models of Reference Man, the 15-year-old (Reference Woman), the 10-year-old, the five-year-old, the one-year-old, and the newborn have been developed and used for calculating specific absorbed fractions (absorbed fractions of energy per unit mass) for several different photon energies and many different source-target combinations. The Reference woman model is adequate for calculating energy deposition in the uterus during the first few weeks of pregnancy. During the course of pregnancy, the embryo/fetus increases rapidly in size and thus requires several models for calculating absorbed fractions. In addition, the increases in size and changes in shape of the uterus and fetus result in the repositioning of the maternal organs and in different geometric relationships among the organs and the fetus. This is especially true of the excretory organs such as the urinary bladder and the various sections of the gastrointestinal tract. Several models have been developed for calculating absorbed fractions of energy in the fetus, including models of the uterus and fetus for each month of pregnancy and complete models of the pregnant woman at the end of each trimester. In this paper, the available models and the appropriate use of each will be discussed. (Author) 19 refs., 7 figs
Modeling GMPLS and Optical MPLS Networks
DEFF Research Database (Denmark)
Christiansen, Henrik Lehrmann; Wessing, Henrik
2003-01-01
. The MPLS concept is attractive because it can work as a unifying control structure. covering all technologies. This paper describes how a novel scheme for optical MPLS and circuit switched GMPLS based networks can incorporated in such multi-domain, MPLS-based scenarios and how it could be modeled. Network...
The calculation of the electron structure and optical properties of TiNi martensite
International Nuclear Information System (INIS)
Kul'kova, S.E.; Beketov, K.A.; Egorushkin, V.E.; Muryzhnikova, O.N.
1995-01-01
The self-consistent calculation of NiTi B2 and B19' phases have been performed by the linear muffin-tin orbital method in atomic sphere approximation (LMTO-ASA). Two approaches for calculation of B2-phase band structure have been used and the essential differences in the Fermi surface have been pointed out. The alterations of NiTi electron characteristics at the martensitic transition have been analyzed. The optical spectra and their peculiarities in B2 and monoclinic B19' phases have been discussed. In the frames of first principles method electron-positron annihilation characteristics in B2-NiTi have been investigated too. It was shown that a rather satisfactory agreement with experimental results for NiTi was achieved. (orig.)
Calculations on nonlinear optical properties for large systems the elongation method
Gu, Feng Long; Springborg, Michael; Kirtman, Bernard
2014-01-01
For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.
Model for calculating the boron concentration in PWR type reactors
International Nuclear Information System (INIS)
Reis Martins Junior, L.L. dos; Vanni, E.A.
1986-01-01
A PWR boron concentration model has been developed for use with RETRAN code. The concentration model calculates the boron mass balance in the primary circuit as the injected boron mixes and is transported through the same circuit. RETRAN control blocks are used to calculate the boron concentration in fluid volumes during steady-state and transient conditions. The boron reactivity worth is obtained from the core concentration and used in RETRAN point kinetics model. A FSAR type analysis of a Steam Line Break Accident in Angra I plant was selected to test the model and the results obtained indicate a sucessfull performance. (Author) [pt
First principles electron-correlated calculations of optical absorption in magnesium clusters★
Shinde, Ravindra; Shukla, Alok
2017-11-01
In this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of various isomers of magnesium clusters Mgn (n = 2-5), corresponding to valence transitions. Geometry optimization of several low-lying isomers of each cluster was carried out using coupled-cluster singles doubles (CCSD) approach, and these geometries were subsequently employed to perform ground and excited state calculations using either the full-CI (FCI) or the multi-reference singles-doubles configuration interaction (MRSDCI) approach, within the frozen-core approximation. Our calculated photoabsorption spectrum of magnesium dimer (Mg2) is in excellent agreement with the experiments both for peak positions, and intensities. Owing to the sufficiently inclusive electron-correlation effects, these results can serve as benchmarks against which future experiments, as well as calculations performed using other theoretical approaches, can be tested. Supplementary material in the form of one pdf fille available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80356-6.
A program for calculating and plotting soft x-ray optical interaction coefficients for molecules
International Nuclear Information System (INIS)
Thomas, M.M.; Davis, J.C.; Jacobsen, C.J.; Perera, R.C.C.
1989-08-01
Comprehensive tables for atomic scattering factor components, f1 and f2, were compiled by Henke et al. for the extended photon region 50 - 10000 eV. Accurate calculations of optical interaction coefficients for absorption, reflection and scattering by material systems (e.g. filters, multi-layers, etc...), which have widespread application, can be based simply upon the atomic scattering factors for the elements comprising the material, except near the absorption threshold energies. These calculations based upon the weighted sum of f1 and f2 for each atomic species present can be very tedious if done by hand. This led us to develop a user friendly program to perform these calculations on an IBM PC or compatible computer. By entering the chemical formula, density and thickness of up to six molecules, values of the f1, f2, mass absorption transmission efficiencies, attenuation lengths, mirror reflectivities and complex indices of refraction can be calculated and plotted as a function of energy or wavelength. This program will be available distribution. 7 refs., 1 fig
Microbial Communities Model Parameter Calculation for TSPA/SR
International Nuclear Information System (INIS)
D. Jolley
2001-01-01
This calculation has several purposes. First the calculation reduces the information contained in ''Committed Materials in Repository Drifts'' (BSC 2001a) to useable parameters required as input to MING V1.O (CRWMS M and O 1998, CSCI 30018 V1.O) for calculation of the effects of potential in-drift microbial communities as part of the microbial communities model. The calculation is intended to replace the parameters found in Attachment II of the current In-Drift Microbial Communities Model revision (CRWMS M and O 2000c) with the exception of Section 11-5.3. Second, this calculation provides the information necessary to supercede the following DTN: M09909SPAMING1.003 and replace it with a new qualified dataset (see Table 6.2-1). The purpose of this calculation is to create the revised qualified parameter input for MING that will allow ΔG (Gibbs Free Energy) to be corrected for long-term changes to the temperature of the near-field environment. Calculated herein are the quadratic or second order regression relationships that are used in the energy limiting calculations to potential growth of microbial communities in the in-drift geochemical environment. Third, the calculation performs an impact review of a new DTN: M00012MAJIONIS.000 that is intended to replace the currently cited DTN: GS9809083 12322.008 for water chemistry data used in the current ''In-Drift Microbial Communities Model'' revision (CRWMS M and O 2000c). Finally, the calculation updates the material lifetimes reported on Table 32 in section 6.5.2.3 of the ''In-Drift Microbial Communities'' AMR (CRWMS M and O 2000c) based on the inputs reported in BSC (2001a). Changes include adding new specified materials and updating old materials information that has changed
A model to calculate the burn of gadolinium in PWR
International Nuclear Information System (INIS)
Sannazzaro, L.R.
1983-01-01
A cell model to calculate the burnup of a PWR fuel element with gadolinium as a poison, projected by KWU, is presented. With the model proposed, the burn of the gadolinium isotopes is analyzed, as well as the effect of these isotopes in the fuel element behaviour. The results obtained with this cell model are compared with those obtained by a conventional cell model. (E.G.) [pt
Piezo-optic tensor of crystals from quantum-mechanical calculations.
Erba, A; Ruggiero, M T; Korter, T M; Dovesi, R
2015-10-14
An automated computational strategy is devised for the ab initio determination of the full fourth-rank piezo-optic tensor of crystals belonging to any space group of symmetry. Elastic stiffness and compliance constants are obtained as numerical first derivatives of analytical energy gradients with respect to the strain and photo-elastic constants as numerical derivatives of analytical dielectric tensor components, which are in turn computed through a Coupled-Perturbed-Hartree-Fock/Kohn-Sham approach, with respect to the strain. Both point and translation symmetries are exploited at all steps of the calculation, within the framework of periodic boundary conditions. The scheme is applied to the determination of the full set of ten symmetry-independent piezo-optic constants of calcium tungstate CaWO4, which have recently been experimentally reconstructed. Present calculations unambiguously determine the absolute sign (positive) of the π61 constant, confirm the reliability of 6 out of 10 experimentally determined constants and provide new, more accurate values for the remaining 4 constants.
batman: BAsic Transit Model cAlculatioN in Python
Kreidberg, Laura
2015-11-01
I introduce batman, a Python package for modeling exoplanet transit light curves. The batman package supports calculation of light curves for any radially symmetric stellar limb darkening law, using a new integration algorithm for models that cannot be quickly calculated analytically. The code uses C extension modules to speed up model calculation and is parallelized with OpenMP. For a typical light curve with 100 data points in transit, batman can calculate one million quadratic limb-darkened models in 30 seconds with a single 1.7 GHz Intel Core i5 processor. The same calculation takes seven minutes using the four-parameter nonlinear limb darkening model (computed to 1 ppm accuracy). Maximum truncation error for integrated models is an input parameter that can be set as low as 0.001 ppm, ensuring that the community is prepared for the precise transit light curves we anticipate measuring with upcoming facilities. The batman package is open source and publicly available at https://github.com/lkreidberg/batman .
Comparison of Calculation Models for Bucket Foundation in Sand
DEFF Research Database (Denmark)
Vaitkunaite, Evelina; Molina, Salvador Devant; Ibsen, Lars Bo
The possibility of fast and rather precise preliminary offshore foundation design is desirable. The ultimate limit state of bucket foundation is investigated using three different geotechnical calculation tools: [Ibsen 2001] an analytical method, LimitState:GEO and Plaxis 3D. The study has focused...... on resultant bearing capacity of variously embedded foundation in sand. The 2D models, [Ibsen 2001] and LimitState:GEO can be used for the preliminary design because they are fast and result in a rather similar bearing capacity calculation compared with the finite element models of Plaxis 3D. The 2D models...
Statistical Model Calculations for (n,γ Reactions
Directory of Open Access Journals (Sweden)
Beard Mary
2015-01-01
Full Text Available Hauser-Feshbach (HF cross sections are of enormous importance for a wide range of applications, from waste transmutation and nuclear technologies, to medical applications, and nuclear astrophysics. It is a well-observed result that diﬀerent nuclear input models sensitively aﬀect HF cross section calculations. Less well known however are the eﬀects on calculations originating from model-specific implementation details (such as level density parameter, matching energy, back-shift and giant dipole parameters, as well as eﬀects from non-model aspects, such as experimental data truncation and transmission function energy binning. To investigate the eﬀects or these various aspects, Maxwellian-averaged neutron capture cross sections have been calculated for approximately 340 nuclei. The relative eﬀects of these model details will be discussed.
Wen, Jun-Qing; Zhang, Jian-Min; Chen, Guo-Xiang; Wu, Hua; Yang, Xu
2018-04-01
The density functional theory calculations using general gradient approximation (GGA) applying Perdew-Burke-Ernzerhof (PBE) as correlation functional have been systematically performed to research the formation energy, the electronic structures, band structures, total and partial DOS, and optical properties of Nd doping ZnO with the content from 6.25% to 12.5%. The formation energies are negative for both models, which show that two structures are energetically stable. Nd doping ZnO crystal is found to be a direct band gap semiconductor and Fermi level shifts upward into conduction band, which show the properties of n-type semiconductor. Band structures are more compact after Nd doping ZnO, implying that Nd doping induces the strong interaction between different atoms. Nd doping ZnO crystal presents occupied states at near Fermi level, which mainly comes from the Nd 4f orbital. The calculated optical properties imply that Nd doping causes a red-shift of absorption peaks, and enhances the absorption of the visible light.
Optical model with multiple band couplings using soft rotator structure
Martyanov, Dmitry; Soukhovitskii, Efrem; Capote, Roberto; Quesada, Jose Manuel; Chiba, Satoshi
2017-09-01
A new dispersive coupled-channel optical model (DCCOM) is derived that describes nucleon scattering on 238U and 232Th targets using a soft-rotator-model (SRM) description of the collective levels of the target nucleus. SRM Hamiltonian parameters are adjusted to the observed collective levels of the target nucleus. SRM nuclear wave functions (mixed in K quantum number) have been used to calculate coupling matrix elements of the generalized optical model. Five rotational bands are coupled: the ground-state band, β-, γ-, non-axial- bands, and a negative parity band. Such coupling scheme includes almost all levels below 1.2 MeV of excitation energy of targets. The "effective" deformations that define inter-band couplings are derived from SRM Hamiltonian parameters. Conservation of nuclear volume is enforced by introducing a monopolar deformed potential leading to additional couplings between rotational bands. The present DCCOM describes the total cross section differences between 238U and 232Th targets within experimental uncertainty from 50 keV up to 200 MeV of neutron incident energy. SRM couplings and volume conservation allow a precise calculation of the compound-nucleus (CN) formation cross sections, which is significantly different from the one calculated with rigid-rotor potentials with any number of coupled levels.
Interacting boson model: Microscopic calculations for the mercury isotopes
Energy Technology Data Exchange (ETDEWEB)
Druce, C.H.; Pittel, S.; Barrett, B.R.; Duval, P.D.
1987-05-15
Microscopic calculations of the parameters of the proton--neutron interacting boson model (IBM-2) appropriate to the even Hg isotopes are reported. The calculations are based on the Otsuka--Arima--Iachello boson mapping procedure, which is briefly reviewed. Renormalization of the parameters due to exclusion of the l = 4 g boson is treated perturbatively. The calculations employ a semi-realistic shell-model Hamiltonian with no adjustable parameters. The calculated parameters of the IBM-2 Hamiltonian are used to generate energy spectra and electromagnetic transition probabilities, which are compared with experimental data and with the result of phenomenological fits. The overall agreement is reasonable with some notable exceptions, which are discussed. Particular attention is focused on the parameters of the Majorana interaction and on the F-spin character of low-lying levels. copyright 1987 Academic Press, Inc.
The interacting boson model: Microscopic calculations for the mercury isotopes
Druce, C. H.; Pittel, S.; Barrett, B. R.; Duval, P. D.
1987-05-01
Microscopic calculations of the parameters of the proton-neutron interacting boson model (IBM-2) appropriate to the even Hg isotopes are reported. The calculations are based on the Otsuka-Armia-Iachello boson mapping procedure, which is briefly reviewed. Renormalization of the parameters due to exclusion of the l=4 g boson is treated perturbatively. The calculations employ a semi-realistic shell-model Hamiltonian with no adjustable parameters. The calculated parameters of the IBM-2 Hamiltonian are used to generate energy spectra and electromagnetic transition probabilities, which are compared with experimental data and with the result of phenomenological fits. The overall agreement is reasonable with some notable exceptions, which are discussed. Particular attention is focused on the parameters of the Majorana interaction and on the F-spin character of low-lying levels.
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
Mechanical, electronic, and optical properties of β-B{sub 6}O. First-principles calculations
Energy Technology Data Exchange (ETDEWEB)
Yang, Ruike; Ma, Shaowei; Wei, Qun [Xidian Univ., Shaanxi (China). School of Physics and Optoelectronic Engineering; Du, Zheng [National Supercomputing Center in Shenzhen, Shenzhen (China)
2017-07-01
The mechanical, electronic, and optical properties of β-B{sub 6}O are calculated by first-principles. The structural optimization and all properties are calculated by the method of generalized gradient approximation - Perdew, Burke and Ernzerhof (PBE). The hardness of β-B{sub 6}O is 39 GPa under a pressure of 0 GPa, which indicates that it belongs to a hard material. The band gap is indirect with a value of 1.836 eV, showing that β-B{sub 6}O is a semiconductor. The research of the electron localization function shows that the bonds of β-B{sub 6}O are covalent bonds, which can increase the stability of the compound. The phonon dispersion curves present the dynamical stability of β-B{sub 6}O under pressures of 0 and 50 GPa. The optical properties of β-B{sub 6}O are also calculated. In the energy range from 0 to 18 eV, β-B{sub 6}O presents high reflectivity; it has a strong absorption in the energy range from 3 to 18 eV. The refractive index results show that light propagates through the β-B{sub 6}O in a difficult manner in the energy range from 6.9 to 16.5 eV. In addition, the energy of the plasma frequency for β-B{sub 6}O is 16.6 eV and the peak value of the loss function is 13.6. These properties provide the basis for the development and application of β-B{sub 6}O.
Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.
2015-11-01
Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G0W0, GW0 to partially self-consistent sc-GW0, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW0-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.
International Nuclear Information System (INIS)
Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.
2015-01-01
Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G 0 W 0 , GW 0 to partially self-consistent sc-GW 0 , as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW 0 -BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations
Recoil corrected bag model calculations for semileptonic weak decays
International Nuclear Information System (INIS)
Lie-Svendsen, Oe.; Hoegaasen, H.
1987-02-01
Recoil corrections to various model results for strangeness changing weak decay amplitudes have been developed. It is shown that the spurious reference frame dependence of earlier calculations is reduced. The second class currents are generally less important than obtained by calculations in the static approximation. Theoretical results are compared to observations. The agreement is quite good, although the values for the Cabibbo angle obtained by fits to the decay rates are somewhat to large
First-principles X-ray absorption dose calculation for time-dependent mass and optical density.
Berejnov, Viatcheslav; Rubinstein, Boris; Melo, Lis G A; Hitchcock, Adam P
2018-05-01
A dose integral of time-dependent X-ray absorption under conditions of variable photon energy and changing sample mass is derived from first principles starting with the Beer-Lambert (BL) absorption model. For a given photon energy the BL dose integral D(e, t) reduces to the product of an effective time integral T(t) and a dose rate R(e). Two approximations of the time-dependent optical density, i.e. exponential A(t) = c + aexp(-bt) for first-order kinetics and hyperbolic A(t) = c + a/(b + t) for second-order kinetics, were considered for BL dose evaluation. For both models three methods of evaluating the effective time integral are considered: analytical integration, approximation by a function, and calculation of the asymptotic behaviour at large times. Data for poly(methyl methacrylate) and perfluorosulfonic acid polymers measured by scanning transmission soft X-ray microscopy were used to test the BL dose calculation. It was found that a previous method to calculate time-dependent dose underestimates the dose in mass loss situations, depending on the applied exposure time. All these methods here show that the BL dose is proportional to the exposure time D(e, t) ≃ K(e)t.
Use of nuclear reaction models in cross section calculations
International Nuclear Information System (INIS)
Grimes, S.M.
1975-03-01
The design of fusion reactors will require information about a large number of neutron cross sections in the MeV region. Because of the obvious experimental difficulties, it is probable that not all of the cross sections of interest will be measured. Current direct and pre-equilibrium models can be used to calculate non-statistical contributions to neutron cross sections from information available from charged particle reaction studies; these are added to the calculated statistical contribution. Estimates of the reliability of such calculations can be derived from comparisons with the available data. (3 tables, 12 figures) (U.S.)
Realistic shell-model calculations for Sn isotopes
International Nuclear Information System (INIS)
Covello, A.; Andreozzi, F.; Coraggio, L.; Gargano, A.; Porrino, A.
1997-01-01
We report on a shell-model study of the Sn isotopes in which a realistic effective interaction derived from the Paris free nucleon-nucleon potential is employed. The calculations are performed within the framework of the seniority scheme by making use of the chain-calculation method. This provides practically exact solutions while cutting down the amount of computational work required by a standard seniority-truncated calculation. The behavior of the energy of several low-lying states in the isotopes with A ranging from 122 to 130 is presented and compared with the experimental one. (orig.)
Approximate dynamic fault tree calculations for modelling water supply risks
International Nuclear Information System (INIS)
Lindhe, Andreas; Norberg, Tommy; Rosén, Lars
2012-01-01
Traditional fault tree analysis is not always sufficient when analysing complex systems. To overcome the limitations dynamic fault tree (DFT) analysis is suggested in the literature as well as different approaches for how to solve DFTs. For added value in fault tree analysis, approximate DFT calculations based on a Markovian approach are presented and evaluated here. The approximate DFT calculations are performed using standard Monte Carlo simulations and do not require simulations of the full Markov models, which simplifies model building and in particular calculations. It is shown how to extend the calculations of the traditional OR- and AND-gates, so that information is available on the failure probability, the failure rate and the mean downtime at all levels in the fault tree. Two additional logic gates are presented that make it possible to model a system's ability to compensate for failures. This work was initiated to enable correct analyses of water supply risks. Drinking water systems are typically complex with an inherent ability to compensate for failures that is not easily modelled using traditional logic gates. The approximate DFT calculations are compared to results from simulations of the corresponding Markov models for three water supply examples. For the traditional OR- and AND-gates, and one gate modelling compensation, the errors in the results are small. For the other gate modelling compensation, the error increases with the number of compensating components. The errors are, however, in most cases acceptable with respect to uncertainties in input data. The approximate DFT calculations improve the capabilities of fault tree analysis of drinking water systems since they provide additional and important information and are simple and practically applicable.
Energy Technology Data Exchange (ETDEWEB)
Dellin, T.A.; Fish, M.J.; Yang, C.L.
1981-08-01
DELSOL2 is a revised and substantially extended version of the DELSOL computer program for calculating collector field performance and layout, and optimal system design for solar thermal central receiver plants. The code consists of a detailed model of the optical performance, a simpler model of the non-optical performance, an algorithm for field layout, and a searching algorithm to find the best system design. The latter two features are coupled to a cost model of central receiver components and an economic model for calculating energy costs. The code can handle flat, focused and/or canted heliostats, and external cylindrical, multi-aperture cavity, and flat plate receivers. The program optimizes the tower height, receiver size, field layout, heliostat spacings, and tower position at user specified power levels subject to flux limits on the receiver and land constraints for field layout. The advantages of speed and accuracy characteristic of Version I are maintained in DELSOL2.
DEFF Research Database (Denmark)
Wædegaard, Kristian Juncher; Frislev, Martin Thomas; Balling, Peter
2013-01-01
Modeling of the interaction between a dielec- tric material and ultrashort laser pulses provides the tem- poral evolution of the electronic excitation and the optical properties of the dielectric. Experimentally determined re- flectances and ablation depths for sapphire are compared...... to the calculations. A decrease in reflectance at high fluences is observed experimentally, which demonstrates the neces- sity of a temperature-dependent electron scattering rate in the model. The comparison thus provides new constraints on the optical parameters of the model....
Optics calculations and beam line design for the JANNuS facility in Orsay
International Nuclear Information System (INIS)
Chauvin, N.; Henry, S.; Flocard, H.; Fortuna, F.; Kaitasov, O.; Pariset, P.; Pellegrino, S.; Ruault, M.O.; Serruys, Y.; Trocelier, P.
2007-01-01
JANNuS (Joint Accelerators for Nano-Science and Nuclear Simulation) will be a unique user facility in Europe dedicated to material modification by ion beam implantation and irradiation. The main originality of the project is that it will be possible to perform implantation and irradiation with simultaneous multiple ions beams and in situ characterization by transmission electron microscopy (TEM) observation or ion beam analysis. This facility will be composed of two experimental platforms located in two sites: the CEA-SRMP in Saclay and the CNRS-CSNSM in Orsay. This paper will focus on the design of two new transport beam lines for the Orsay site. One of the most challenging parts of the JANNuS project (Orsay site) is to design two new beam lines in order to inject, into a 200 kV TEM, two different ion beams (low and medium energy) coming from two existing pieces of equipment: a 2 MV Tandem accelerator and a 190 kV ion implanter. For these new beam lines, first order beam calculations have been done using transfer matrix formalism. A genetic algorithm has been written and adapted to perform the optimization of the beam line parameters. Then, using the SIMION code, field maps of the electrostatic elements (quadrupoles, spherical sectors) have been calculated and ion trajectories have been simulated. We studied specifically the optical aberrations induced by the electrostatic spherical deflectors. Finally, the results of the first order calculations and the field map simulations show a good agreement
Comparison of the performance of net radiation calculation models
DEFF Research Database (Denmark)
Kjærsgaard, Jeppe Hvelplund; Cuenca, R.H.; Martinez-Cob, A.
2009-01-01
. The long-wave radiation models included a physically based model, an empirical model from the literature, and a new empirical model. Both empirical models used only solar radiation as required for meteorological input. The long-wave radiation models were used with model calibration coefficients from......Daily values of net radiation are used in many applications of crop-growth modeling and agricultural water management. Measurements of net radiation are not part of the routine measurement program at many weather stations and are commonly estimated based on other meteorological parameters. Daily...... values of net radiation were calculated using three net outgoing long-wave radiation models and compared to measured values. Four meteorological datasets representing two climate regimes, a sub-humid, high-latitude environment and a semi-arid mid-latitude environment, were used to test the models...
Evaluation of calculational and material models for concrete containment structures
International Nuclear Information System (INIS)
Dunham, R.S.; Rashid, Y.R.; Yuan, K.A.
1984-01-01
A computer code utilizing an appropriate finite element, material and constitutive model has been under development as a part of a comprehensive effort by the Electric Power Research Institute (EPRI) to develop and validate a realistic methodology for the ultimate load analysis of concrete containment structures. A preliminary evaluation of the reinforced and prestressed concrete modeling capabilities recently implemented in the ABAQUS-EPGEN code has been completed. This effort focuses on using a state-of-the-art calculational model to predict the behavior of large-scale reinforced concrete slabs tested under uniaxial and biaxial tension to simulate the wall of a typical concrete containment structure under internal pressure. This paper gives comparisons between calculations and experimental measurements for a uniaxially-loaded specimen. The calculated strains compare well with the measured strains in the reinforcing steel; however, the calculations gave diffused cracking patterns that do not agree with the discrete cracking observed in the experiments. Recommendations for improvement of the calculational models are given. (orig.)
Precipitates/Salts Model Calculations for Various Drift Temperature Environments
Energy Technology Data Exchange (ETDEWEB)
P. Marnier
2001-12-20
The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation within a repository drift. This work is developed and documented using procedure AP-3.12Q, Calculations, in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The primary objective of this calculation is to predict the effects of evaporation on the abstracted water compositions established in ''EBS Incoming Water and Gas Composition Abstraction Calculations for Different Drift Temperature Environments'' (BSC 2001c). A secondary objective is to predict evaporation effects on observed Yucca Mountain waters for subsequent cement interaction calculations (BSC 2001d). The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b).
A Thermo-Optic Propagation Modeling Capability.
Energy Technology Data Exchange (ETDEWEB)
Schrader, Karl; Akau, Ron
2014-10-01
A new theoretical basis is derived for tracing optical rays within a finite-element (FE) volume. The ray-trajectory equations are cast into the local element coordinate frame and the full finite-element interpolation is used to determine instantaneous index gradient for the ray-path integral equation. The FE methodology (FEM) is also used to interpolate local surface deformations and the surface normal vector for computing the refraction angle when launching rays into the volume, and again when rays exit the medium. The method is implemented in the Matlab(TM) environment and compared to closed- form gradient index models. A software architecture is also developed for implementing the algorithms in the Zemax(TM) commercial ray-trace application. A controlled thermal environment was constructed in the laboratory, and measured data was collected to validate the structural, thermal, and optical modeling methods.
Energy Technology Data Exchange (ETDEWEB)
Kim, Jangyeol; Son, Kwangseop; Lee, Youngjun; Cheon, Sewoo; Cha, Kyoungho; Lee, Jangsoo; Kwon, Keechoon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2013-05-15
We confirmed that the coverage criteria for a safety-grade optical modem of a Core Protection Calculator is satisfactory using a traceability analysis matrix between high-level requirements and lower-level system test case data set. This paper describes the test environment, test components and items, a traceability analysis, and system tests as a result of system verification and validation based on Software Requirement Specifications (SRS) for a safety-grade optical modem of a Core Protection Calculator (CPC) in a Korea Standard Nuclear Power Plant (KSNP), and Software Design Specifications (SDS) for a safety-grade optical modem of a CPC in a KSNP. All tests were performed according to the test plan and test procedures. Functional testing, performance testing, event testing, and scenario based testing for a safety-grade optical modem of a Core Protection Calculator in a Korea Standard Nuclear Power Plant as a thirty-party verifier were successfully performed.
Advanced modelling of optical coherence tomography systems
DEFF Research Database (Denmark)
Andersen, Peter E.; Thrane, L.; Yura, H.T.
2004-01-01
and multiple scattering regimes is reviewed. An advanced Monte Carlo model for calculating the OCT signal is also reviewed, and the validity of this model is shown through a mathematical proof based on the extended Huygens–Fresnel principle. Moreover, for the first time the model is verified experimentally...... tissue phantom. Such algorithm holds promise for improving OCT imagery and to extend the possibility for functional imaging....
The models of internal dose calculation in ICRP
International Nuclear Information System (INIS)
Nakano, Takashi
1995-01-01
There are a lot discussions about internal dose calculation in ICRP. Many efforts are devoted to improvement in models and parameters. In this report, we discuss what kind of models and parameters are used in ICRP. Models are divided into two parts, the dosimetric model and biokinetic model. The former is a mathematical phantom model, and it is mainly developed in ORNL. The results are used in many researchers. The latter is a compartment model and it has a difficulty to decide the parameter values. They are not easy to estimate because of their age dependency. ICRP officially sets values at ages of 3 month, 1 year, 5 year, 10 year, 15 year and adult, and recommends to get values among ages by linear age interpolate. But it is very difficult to solve the basic equation with these values, so we calculate by use of computers. However, it has complex shame and needs long CPU time. We should make approximated equations. The parameter values include much uncertainty because of less experimental data, especially for a child. And these models and parameter values are for Caucasian. We should inquire whether they could correctly describe other than Caucasian. The body size affects the values of calculated SAF, and the differences of metabolism change the biokinetic pattern. (author)
Interactions of model biomolecules. Benchmark CC calculations within MOLCAS
Energy Technology Data Exchange (ETDEWEB)
Urban, Miroslav [Slovak University of Technology in Bratislava, Faculty of Materials Science and Technology in Trnava, Institute of Materials Science, Bottova 25, SK-917 24 Trnava, Slovakia and Department of Physical and Theoretical Chemistry, Faculty of Natural Scie (Slovakia); Pitoňák, Michal; Neogrády, Pavel; Dedíková, Pavlína [Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Mlynská dolina, SK-842 15 Bratislava (Slovakia); Hobza, Pavel [Institute of Organic Chemistry and Biochemistry and Center for Complex Molecular Systems and biomolecules, Academy of Sciences of the Czech Republic, Prague (Czech Republic)
2015-01-22
We present results using the OVOS approach (Optimized Virtual Orbitals Space) aimed at enhancing the effectiveness of the Coupled Cluster calculations. This approach allows to reduce the total computer time required for large-scale CCSD(T) calculations about ten times when the original full virtual space is reduced to about 50% of its original size without affecting the accuracy. The method is implemented in the MOLCAS computer program. When combined with the Cholesky decomposition of the two-electron integrals and suitable parallelization it allows calculations which were formerly prohibitively too demanding. We focused ourselves to accurate calculations of the hydrogen bonded and the stacking interactions of the model biomolecules. Interaction energies of the formaldehyde, formamide, benzene, and uracil dimers and the three-body contributions in the cytosine – guanine tetramer are presented. Other applications, as the electron affinity of the uracil affected by solvation are also shortly mentioned.
International Nuclear Information System (INIS)
Lambropoulos, P.
1998-01-01
The work on the grant for the entire period of its duration concentrated on two different but related areas, namely coherent control of photoabsorption processes and the calculation of non linear optical processes with short wavelength radiation. On the first topic, the work dealt with the problem of controlling the population transfer from one to another bound state of a system in a route that passes through a continuum. This question is most important in the context of transferring populations between vibrational states of a molecule through a sequence of two pulses taking the system via the dissociation continuum. On the second topic, their work was motivated by the availability of XUV and soft X-ray coherent radiation sources obtained through high order harmonic generation. In addition, a few other techniques based on schemes of photo-pumped X-ray lasers promise to provide in the near-future similarly coherent sources. It is thus important to have an assessment of the possibility of extending non-linear optical processes to this range of wavelengths. This means assessing the relevant magnitude of the susceptibilities for third harmonic generation, stimulated Raman scattering, two-photon absorption, etc
Laminated materials with plastic interfaces: modeling and calculation
International Nuclear Information System (INIS)
Sandino Aquino de los Ríos, Gilberto; Castañeda Balderas, Rubén; Diaz Diaz, Alberto; Duong, Van Anh; Chataigner, Sylvain; Caron, Jean-François; Ehrlacher, Alain; Foret, Gilles
2009-01-01
In this paper, a model of laminated plates called M4-5N and validated in a previous paper is modified in order to take into account interlaminar plasticity by means of displacement discontinuities at the interfaces. These discontinuities are calculated by adapting a 3D plasticity model. In order to compute the model, a Newton–Raphson-like method is employed. In this method, two sub-problems are considered: one is linear and the other is non-linear. In the linear problem the non-linear equations of the model are linearized and the calculations are performed by making use of a finite element software. By iterating the resolution of each sub-problem, one obtains after convergence the solution of the global problem. The model is then applied to the problem of a double lap, adhesively bonded joint subjected to a tensile load. The adhesive layer is modeled by an elastic–plastic interface. The results of the M4-5N model are compared with those of a commercial finite element software. A good agreement between the two computation techniques is obtained and validates the non-linear calculations proposed in this paper. Finally, the numerical tool and a delamination criterion are applied to predict delamination onset in composite laminates
Green Network Planning Model for Optical Backbones
DEFF Research Database (Denmark)
Gutierrez Lopez, Jose Manuel; Riaz, M. Tahir; Jensen, Michael
2010-01-01
on the environment in general. In network planning there are existing planning models focused on QoS provisioning, investment minimization or combinations of both and other parameters. But there is a lack of a model for designing green optical backbones. This paper presents novel ideas to be able to define......Communication networks are becoming more essential for our daily lives and critically important for industry and governments. The intense growth in the backbone traffic implies an increment of the power demands of the transmission systems. This power usage might have a significant negative effect...
Modeling, fabrication and high power optical characterization of plasmonic waveguides
DEFF Research Database (Denmark)
Lavrinenko, Andrei; Lysenko, Oleg
2015-01-01
This paper describes modeling, fabrication and high power optical characterization of thin gold films embedded in silicon dioxide. The propagation vector of surface plasmon polaritons has been calculated by the effective index method for the wavelength range of 750-1700 nm and film thickness of 15......, 30 and 45 nm. The fabrication process of such plasmonic waveguides with width in the range of 1-100 μm and their quality inspection are described. The results of optical characterization of plasmonic waveguides using a high power laser with the peak power wavelength 1064 nm show significant deviation...... from the linear propagation regime of surface plasmon polaritons at the average input power of 100 mW and above. Possible reasons for this deviation are heating of the waveguides and subsequent changes in the coupling and propagation losses....
Precision calculations in supersymmetric extensions of the Standard Model
International Nuclear Information System (INIS)
Slavich, P.
2013-01-01
This dissertation is organized as follows: in the next chapter I will summarize the structure of the supersymmetric extensions of the standard model (SM), namely the MSSM (Minimal Supersymmetric Standard Model) and the NMSSM (Next-to-Minimal Supersymmetric Standard Model), I will provide a brief overview of different patterns of SUSY (supersymmetry) breaking and discuss some issues on the renormalization of the input parameters that are common to all calculations of higher-order corrections in SUSY models. In chapter 3 I will review and describe computations on the production of MSSM Higgs bosons in gluon fusion. In chapter 4 I will review results on the radiative corrections to the Higgs boson masses in the NMSSM. In chapter 5 I will review the calculation of BR(B → X s γ in the MSSM with Minimal Flavor Violation (MFV). Finally, in chapter 6 I will briefly summarize the outlook of my future research. (author)
Do calculated conflicts in microsimulation model predict number of crashes?
Dijkstra, Atze; Marchesini, Paula; Bijleveld, Frits; Kars, Vincent; Drolenga, Hans; Maarseveen, Martin Van
2010-01-01
A microsimulation model and its calculations are described, and the results that are subsequently used to determine indicators for traffic safety are presented. The method demonstrates which changes occur at the level of traffic flow (number of vehicles per section of road) and at the vehicle level
A shell-model calculation in terms of correlated subsystems
International Nuclear Information System (INIS)
Boisson, J.P.; Silvestre-Brac, B.
1979-01-01
A method for solving the shell-model equations in terms of a basis which includes correlated subsystems is presented. It is shown that the method allows drastic truncations of the basis to be made. The corresponding calculations are easy to perform and can be carried out rapidly
TTS-Polttopuu - cost calculation model for fuelwood
International Nuclear Information System (INIS)
Naett, H.; Ryynaenen, S.
1999-01-01
The TTS-Institutes's Forestry Department has developed a computer based cost-calculation model, 'TTS-Polttopuu', for the calculation of unit costs and resource needs in the harvesting systems for wood chips and split firewood. The model enables to determine the productivity and device cost per operating hour by each working stage of the harvesting system. The calculation model also enables the user to find out how changes in the productivity and cost bases of different harvesting chains influence the unit cost of the whole system. The harvesting chain includes the cutting of delimbed and non-delimbed fuelwood, forest haulage, road transportation, chipping and chopping of longwood at storage. This individually operating software was originally developed to serve research needs, but it also serves the needs of the forestry and agricultural education, training and extension as well as individual firewood producers. The system requirements for this cost calculation model are at least 486- level processor with the Windows 95/98 -operating system, 16 MB of memory (RAM) and 5 MB of available hard-disk. This development work was carried out in conjunction with the nation-wide BIOENERGY-research programme. (orig.)
Calculation of extreme wind atlases using mesoscale modeling. Final report
DEFF Research Database (Denmark)
Larsén, Xiaoli Guo; Badger, Jake
This is the final report of the project PSO-10240 "Calculation of extreme wind atlases using mesoscale modeling". The overall objective is to improve the estimation of extreme winds by developing and applying new methodologies to confront the many weaknesses in the current methodologies as explai...
Overview of models allowing calculation of activity coefficients
Energy Technology Data Exchange (ETDEWEB)
Jaussaud, C.; Sorel, C
2004-07-01
Activity coefficients must be estimated to accurately quantify the extraction equilibrium involved in spent fuel reprocessing. For these calculations, binary data are required for each electrolyte over a concentration range sometimes exceeding the maximum solubility. The activity coefficients must be extrapolated to model the behavior of binary supersaturated aqueous solution. According to the bibliography, the most suitable models are based on the local composition concept. (authors)
Optical modeling of fiber organic photovoltaic structures using a transmission line method.
Moshonas, N; Stathopoulos, N A; O'Connor, B T; Bedeloglu, A Celik; Savaidis, S P; Vasiliadis, S
2017-12-01
An optical model has been developed and evaluated for the calculation of the external quantum efficiency of cylindrical fiber photovoltaic structures. The model is based on the transmission line theory and has been applied on single and bulk heterojunction fiber-photovoltaic cells. Using this model, optimum design characteristics have been proposed for both configurations, and comparison with experimental results has been assessed.
Directory of Open Access Journals (Sweden)
Masuda Kazuhiko
2016-01-01
Full Text Available Backscattering properties of ice crystal models (Voronoi aggregates (VA, hexagonal columns (COL, and six-branched bullet rosettes (BR6 are calculated by using geometrical-opticsintegral-equation (GOIE method. Characteristics of depolarization ratio (δ and lidar ratio (L of the crystal models are examined. δ (L values are 0.2~0.3 (4~50, 0.3~0.4 (10~25, and 0.5~0.6 (50~100 for COL, BR6, and VA, respectively, at wavelength λ=0.532 μm. It is found that small deformation of COL model could produce significant changes in δ and L.
Calculating the optical properties of defects and surfaces in wide band gap materials
Deák, Peter
2018-04-01
The optical properties of a material critically depend on its defects, and understanding that requires substantial and accurate input from theory. This paper describes recent developments in the electronic structure theory of defects in wide band gap materials, where the standard local or semi-local approximations of density functional theory fail. The success of the HSE06 screened hybrid functional is analyzed in case of Group-IV semiconductors and TiO2, and shown that it is the consequence of error compensation between semi-local and non-local exchange, resulting in a proper derivative discontinuity (reproduction of the band gap) and a total energy which is a linear function of the fractional occupation numbers (removing most of the electron self-interaction). This allows the calculation of electronic transitions with accuracy unseen before, as demonstrated on the single-photon emitter NV(-) center in diamond and on polaronic states in TiO2. Having a reliable tool for electronic structure calculations, theory can contribute to the understanding of complicated cases of light-matter interaction. Two examples are considered here: surface termination effects on the blinking and bleaching of the light-emission of the NV(-) center in diamond, and on the efficiency of photocatalytic water-splitting by TiO2. Finally, an outlook is presented for the application of hybrid functionals in other materials, as, e.g., ZnO, Ga2O3 or CuGaS2.
Shell model calculations for stoichiometric Na β-alumina
International Nuclear Information System (INIS)
Wang, J.C.
1985-01-01
Walker and Catlow recently reported the results of their shell model calculations for the structure and transport of Na β-alumina (Naβ). The main computer programs used by Walker and Catlow for their calculations are PLUTO and HADES III. The latter, a recent version of HADES II written for cubic crystals, is believed to be applicable to defects in crystals of both cubic and hexagonal symmetry. PLUTO is usually used in calculating properties of perfect crystals before defects are introduced into the structure. Walker and Catlow claim that, in some respects, their models are superior to those of Wang et al. Yet, their results are quite different from those observed experimentally. In this work these differences are investigated by using a computer program designed to calculate lattice energies for s Naβ using the same shell model parameters adopted by Walker and Catlow. The core and shell positions of all ions, as well as the lattice parameters, were fully relaxed. The calculated energy difference between aBR and BR sites (0.33 eV) is about twice as large as that reported by Walker and Catlow. The present results also show that the relaxed oxygen ion positions next to the conduction plane in this case are displaced from their observed sites reported. When the core-shell spring constant of the oxygen ion was adjusted to minimize these displacements, the above-mentioned energy difference increased to about 0.56 eV. These results cast doubt on the fluid conduction plane structure suggested by Walker and Catlow and on the defect structure and activation energy obtained from their calculations
Mathematical modeling of optical glazing performance
Nijnatten, van P.A.; Wittwer, V.; Granqvist, C.G.; Lampert, C.M.
1994-01-01
Mathematical modelling can be a powerful tool in the design and optimalization of glazing. By calculation, the specifications of a glazing design and the optimal design parameters can be predicted without building costly prototypes first. Furthermore, properties which are difficult to measure, like
Cluster model calculations of alpha decays across the periodic table
International Nuclear Information System (INIS)
Merchant, A.C.; Buck, B.
1988-10-01
The cluster model of Buck, Dover and Vary has been used to calculate partial widths for alpha decay from the ground states of all nuclei for which experimental measurements exist. The cluster-core potential is represented by a simple three-parameter form having fixed diffuseness, a radius which scales as A 1/3 and a depth which is adjusted to fit the Q-value of the particular decay. The calculations yield excellent agreement with the vast majority of the available data, and some typical examples are presented. (author) [pt
Modelling of Control Bars in Calculations of Boiling Water Reactors
International Nuclear Information System (INIS)
Khlaifi, A.; Buiron, L.
2004-01-01
The core of a nuclear reactor is generally composed of a neat assemblies of fissile material from where neutrons were descended. In general, the energy of fission is extracted by a fluid serving to cool clusters. A reflector is arranged around the assemblies to reduce escaping of neutrons. This is made outside the reactor core. Different mechanisms of reactivity are generally necessary to control the chain reaction. Manoeuvring of Boiling Water Reactor takes place by controlling insertion of absorbent rods to various places of the core. If no blocked assembly calculations are known and mastered, blocked assembly neutronic calculation are delicate and often treated by case to case in present studies [1]. Answering the question how to model crossbar for the control of a boiling water reactor ? requires the choice of a representation level for every chain of variables, the physical model, and its representing equations, etc. The aim of this study is to select the best applicable parameter serving to calculate blocked assembly of a Boiling Water Reactor. This will be made through a range of representative configurations of these reactors and used absorbing environment, in order to illustrate strategies of modelling in the case of an industrial calculation. (authors)
Modelling and parallel calculation of a kinetic boundary layer
International Nuclear Information System (INIS)
Perlat, Jean Philippe
1998-01-01
This research thesis aims at addressing reliability and cost issues in the calculation by numeric simulation of flows in transition regime. The first step has been to reduce calculation cost and memory space for the Monte Carlo method which is known to provide performance and reliability for rarefied regimes. Vector and parallel computers allow this objective to be reached. Here, a MIMD (multiple instructions, multiple data) machine has been used which implements parallel calculation at different levels of parallelization. Parallelization procedures have been adapted, and results showed that parallelization by calculation domain decomposition was far more efficient. Due to reliability issue related to the statistic feature of Monte Carlo methods, a new deterministic model was necessary to simulate gas molecules in transition regime. New models and hyperbolic systems have therefore been studied. One is chosen which allows thermodynamic values (density, average velocity, temperature, deformation tensor, heat flow) present in Navier-Stokes equations to be determined, and the equations of evolution of thermodynamic values are described for the mono-atomic case. Numerical resolution of is reported. A kinetic scheme is developed which complies with the structure of all systems, and which naturally expresses boundary conditions. The validation of the obtained 14 moment-based model is performed on shock problems and on Couette flows [fr
International Nuclear Information System (INIS)
Dacal, Luis C O; Cantarero, A
2014-01-01
Most III–V semiconductors, which acquire the zinc-blende phase as bulk materials, adopt the metastable wurtzite phase when grown in the form of nanowires. These are new semiconductors with new optical properties, in particular, a different electronic band gap when compared with that grown in the zinc-blende phase. The electronic gap of wurtzite InAs at the Γ–point of the Brillouin zone (E 0 gap) has been recently measured, E 0 =0.46 eV at low temperature. The electronic gap at the A–point of the Brillouin zone (equivalent to the L–point in the zinc-blende structure, E 1 ) has also been obtained recently based on a resonant Raman scattering experiment. In this work, we calculate the band structure of InAs in the zinc-blende and wurtzite phases, using the full potential linearized augmented plane wave method, including spin-orbit interaction. The electronic band gap has been improved through the modified Becke–Johnson exchange-correlation potential. Both the E 0 and E 1 gaps agree very well with the experiment. From the calculations, a crystal field splitting of 0.122 eV and a spin-orbit splitting of 0.312 eV (the experimental value in zinc-blende InAs is 0.4 eV) has been obtained. Finally, we calculate the dielectric function of InAs in both the zinc-blende and wurtzite phases and a comparative discussion is given. (paper)
Dacal, Luis C. O.; Cantarero, A.
2014-03-01
Most III-V semiconductors, which acquire the zinc-blende phase as bulk materials, adopt the metastable wurtzite phase when grown in the form of nanowires. These are new semiconductors with new optical properties, in particular, a different electronic band gap when compared with that grown in the zinc-blende phase. The electronic gap of wurtzite InAs at the \\Gamma -point of the Brillouin zone ({{E}_{0}} gap) has been recently measured, {{E}_{0}}=0.46 eV at low temperature. The electronic gap at the A-point of the Brillouin zone (equivalent to the L-point in the zinc-blende structure, {{E}_{1}}) has also been obtained recently based on a resonant Raman scattering experiment. In this work, we calculate the band structure of InAs in the zinc-blende and wurtzite phases, using the full potential linearized augmented plane wave method, including spin-orbit interaction. The electronic band gap has been improved through the modified Becke-Johnson exchange-correlation potential. Both the {{E}_{0}} and {{E}_{1}} gaps agree very well with the experiment. From the calculations, a crystal field splitting of 0.122 eV and a spin-orbit splitting of 0.312 eV (the experimental value in zinc-blende InAs is 0.4 eV) has been obtained. Finally, we calculate the dielectric function of InAs in both the zinc-blende and wurtzite phases and a comparative discussion is given.
Diffusion theory model for optimization calculations of cold neutron sources
International Nuclear Information System (INIS)
Azmy, Y.Y.
1987-01-01
Cold neutron sources are becoming increasingly important and common experimental facilities made available at many research reactors around the world due to the high utility of cold neutrons in scattering experiments. The authors describe a simple two-group diffusion model of an infinite slab LD 2 cold source. The simplicity of the model permits to obtain an analytical solution from which one can deduce the reason for the optimum thickness based solely on diffusion-type phenomena. Also, a second more sophisticated model is described and the results compared to a deterministic transport calculation. The good (particularly qualitative) agreement between the results suggests that diffusion theory methods can be used in parametric and optimization studies to avoid the generally more expensive transport calculations
DFT calculations of electronic and optical properties of SrS with LDA, GGA and mGGA functionals
Energy Technology Data Exchange (ETDEWEB)
Sharma, Shatendra, E-mail: shatendra@gmai.com [University Science Instrumentation Centre, Jawaharlal Nehru University, New Delhi-110067 (India); Sharma, Jyotsna [School of Basic & Applied Sciences, K. R. Mangalam University, Sohna Road, Gurgaon-122103 (India); Sharma, Yogita [Department of Applied Sciences, KIIT, Sohna Road, Gurgaon-122103 (India)
2016-05-06
The theoretical investigations of electronic and optical properties of SrS are made using the first principle DFT calculations. The calculations are performed for the local-density approximation (LDA), generalized gradient approximation (GGA) and for an alternative form of GGA i.e. metaGGA for both rock salt type (B1, Fm3m) and cesium chloride (B2, Pm3m) structures. The band structure, density of states and optical spectra are calculated under various available functional. The calculations with LDA and GGA functional underestimate the values of band gaps with all functional, however the values with mGGA show reasonably good agreement with experimental and those calculated by using other methods.
Nerovny, N. A.; Zimin, V. N.
2018-04-01
In this paper, the problem of representing the light pressure force upon the surface of a thin wrinkled film is discussed. The common source of wrinkles is the shear deformation of the membrane sample. The optical model of such a membrane is assumed to be optically orthotropic and an analytic equation for infinitesimal light pressure force is written. A linear regression model in the case of wrinkle geometry, where a surface element can have different optical parameters, is constructed and the Bayesian approach is used to calculate the parameters of this model.
Energy Technology Data Exchange (ETDEWEB)
Guemou, M., E-mail: guemoumhamed7@gmail.com [Engineering Physics Laboratory, University Ibn Khaldoun of Tiaret, BP 78-Zaaroura, Tiaret 14000 (Algeria); Bouhafs, B. [Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes (Algeria); Abdiche, A. [Applied Materials Laboratory, Research Center, University of Sidi Bel Abbes, 22000 Sidi Bel Abbes (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria); Al Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Perlis (Malaysia); Bin Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia)
2012-04-15
Density functional calculations are performed to study the structural, electronic and optical properties of technologically important B{sub x}Ga{sub 1-x}As ternary alloys. The calculations are based on the total-energy calculations within the full-potential augmented plane-wave (FP-LAPW) method. For exchange-correlation potential, local density approximation (LDA) and the generalized gradient approximation (GGA) have been used. The structural properties, including lattice constants, bulk modulus and their pressure derivatives, are in very good agreement with the available experimental and theoretical data. The electronic band structure, density of states for the binary compounds and their ternary alloys are given. The dielectric function and the refractive index are also calculated using different models. The obtained results compare very well with previous calculations and experimental measurements.
International Nuclear Information System (INIS)
Grammatin, A.P.; Degen, A.B.; Katranova, N.A.
1995-01-01
A system of differential equations convenient for numerical computer integrating is proposed to calculate beam paths, elementary astigmatic beams, and the optical path in isotropic media with cylindrical distribution of the refractive index. A method for selecting the step of this integration is proposed. This technique is implemented in the program package for computers of the VAX series meant for the computer-aided design of optical systems. 4 refs
Hybrid Reduced Order Modeling Algorithms for Reactor Physics Calculations
Bang, Youngsuk
Reduced order modeling (ROM) has been recognized as an indispensable approach when the engineering analysis requires many executions of high fidelity simulation codes. Examples of such engineering analyses in nuclear reactor core calculations, representing the focus of this dissertation, include the functionalization of the homogenized few-group cross-sections in terms of the various core conditions, e.g. burn-up, fuel enrichment, temperature, etc. This is done via assembly calculations which are executed many times to generate the required functionalization for use in the downstream core calculations. Other examples are sensitivity analysis used to determine important core attribute variations due to input parameter variations, and uncertainty quantification employed to estimate core attribute uncertainties originating from input parameter uncertainties. ROM constructs a surrogate model with quantifiable accuracy which can replace the original code for subsequent engineering analysis calculations. This is achieved by reducing the effective dimensionality of the input parameter, the state variable, or the output response spaces, by projection onto the so-called active subspaces. Confining the variations to the active subspace allows one to construct an ROM model of reduced complexity which can be solved more efficiently. This dissertation introduces a new algorithm to render reduction with the reduction errors bounded based on a user-defined error tolerance which represents the main challenge of existing ROM techniques. Bounding the error is the key to ensuring that the constructed ROM models are robust for all possible applications. Providing such error bounds represents one of the algorithmic contributions of this dissertation to the ROM state-of-the-art. Recognizing that ROM techniques have been developed to render reduction at different levels, e.g. the input parameter space, the state space, and the response space, this dissertation offers a set of novel
TTS-Polttopuu - cost calculation model for fuelwood
International Nuclear Information System (INIS)
Naett, H.; Ryynaenen, S.
1998-01-01
The TTS-Institutes's Forestry Department has developed a computer based costcalculation model, 'TTS-Polttopuu', for the calculation of unit costs and resource needs in the harvesting systems for wood chips and split firewood. The model enables to determine the productivity and device cost per operating hour by each working stage of the harvesting system. The calculation model also enables the user to find out how changes in the productivity and cost bases of different harvesting chains influence the unit cost of the whole system. The harvesting chain includes the cutting of delimbed and non-delimbed fuelwood, forest haulage, road transportation chipping and chopping of longwood at storage. This individually operating software was originally developed to serve research needs, but it also serves the needs of the forestry and agricultural education, training and extension as well as individual firewood producers. The system requirements for this cost calculation model are at least 486-level processor with the Windows 95/98 -operating system, 16 MB of memory (RAM) and 5 MB of available hard-disk. This development work was carried out in conjunction with the nation-wide BIOENERGY Research Programme. (orig.)
Calculations of dose distributions using a neural network model
International Nuclear Information System (INIS)
Mathieu, R; Martin, E; Gschwind, R; Makovicka, L; Contassot-Vivier, S; Bahi, J
2005-01-01
The main goal of external beam radiotherapy is the treatment of tumours, while sparing, as much as possible, surrounding healthy tissues. In order to master and optimize the dose distribution within the patient, dosimetric planning has to be carried out. Thus, for determining the most accurate dose distribution during treatment planning, a compromise must be found between the precision and the speed of calculation. Current techniques, using analytic methods, models and databases, are rapid but lack precision. Enhanced precision can be achieved by using calculation codes based, for example, on Monte Carlo methods. However, in spite of all efforts to optimize speed (methods and computer improvements), Monte Carlo based methods remain painfully slow. A newer way to handle all of these problems is to use a new approach in dosimetric calculation by employing neural networks. Neural networks (Wu and Zhu 2000 Phys. Med. Biol. 45 913-22) provide the advantages of those various approaches while avoiding their main inconveniences, i.e., time-consumption calculations. This permits us to obtain quick and accurate results during clinical treatment planning. Currently, results obtained for a single depth-dose calculation using a Monte Carlo based code (such as BEAM (Rogers et al 2003 NRCC Report PIRS-0509(A) rev G)) require hours of computing. By contrast, the practical use of neural networks (Mathieu et al 2003 Proceedings Journees Scientifiques Francophones, SFRP) provides almost instant results and quite low errors (less than 2%) for a two-dimensional dosimetric map
The forward tracking, an optical model method
Benayoun, M
2002-01-01
This Note describes the so-called Forward Tracking, and the underlying optical model, developed in the context of LHCb-Light studies. Starting from Velo tracks, cheated or found by real pattern recognition, the tracks are found in the ST1-3 chambers after the magnet. The main ingredient to the method is a parameterisation of the track in the ST1-3 region, based on the Velo track parameters and an X seed in one ST station. Performance with the LHCb-Minus and LHCb-Light setups is given.
Optical modeling and simulation of thin-film photovoltaic devices
Krc, Janez
2013-01-01
In wafer-based and thin-film photovoltaic (PV) devices, the management of light is a crucial aspect of optimization since trapping sunlight in active parts of PV devices is essential for efficient energy conversions. Optical modeling and simulation enable efficient analysis and optimization of the optical situation in optoelectronic and PV devices. Optical Modeling and Simulation of Thin-Film Photovoltaic Devices provides readers with a thorough guide to performing optical modeling and simulations of thin-film solar cells and PV modules. It offers insight on examples of existing optical models
Model Hamiltonian Calculations of the Nonlinear Polarizabilities of Conjugated Molecules.
Risser, Steven Michael
This dissertation advances the theoretical knowledge of the nonlinear polarizabilities of conjugated molecules. The unifying feature of these molecules is an extended delocalized pi electron structure. The pi electrons dominate the electronic properties of the molecules, allowing prediction of molecular properties based on the treatment of just the pi electrons. Two separate pi electron Hamiltonians are used in the research. The principal Hamiltonian used is the non-interacting single-particle Huckel Hamiltonian, which replaces the Coulomb interaction among the pi electrons with a mean field interaction. The simplification allows for exact solution of the Hamiltonian for large molecules. The second Hamiltonian used for this research is the interacting multi-particle Pariser-Parr-Pople (PPP) Hamiltonian, which retains explicit Coulomb interactions. This limits exact solutions to molecules containing at most eight electrons. The molecular properties being investigated are the linear polarizability, and the second and third order hyperpolarizabilities. The hyperpolarizabilities determine the nonlinear optical response of materials. These molecular parameters are determined by two independent approaches. The results from the Huckel Hamiltonian are obtained through first, second and third order perturbation theory. The results from the PPP Hamiltonian are obtained by including the applied field directly in the Hamiltonian and determining the ground state energy at a series of field strengths. By fitting the energy to a polynomial in field strength, the polarizability and hyperpolarizabilities are determined. The Huckel Hamiltonian is used to calculate the third order hyperpolarizability of polyenes. These calculations were the first to show the average hyperpolarizability of the polyenes to be positive, and also to show the saturation of the hyperpolarizability. Comparison of these Huckel results to those from the PPP Hamiltonian shows the lack of explicit Coulomb
Electro-optical parameters of bond polarizability model for aluminosilicates.
Smirnov, Konstantin S; Bougeard, Daniel; Tandon, Poonam
2006-04-06
Electro-optical parameters (EOPs) of bond polarizability model (BPM) for aluminosilicate structures were derived from quantum-chemical DFT calculations of molecular models. The tensor of molecular polarizability and the derivatives of the tensor with respect to the bond length are well reproduced with the BPM, and the EOPs obtained are in a fair agreement with available experimental data. The parameters derived were found to be transferable to larger molecules. This finding suggests that the procedure used can be applied to systems with partially ionic chemical bonds. The transferability of the parameters to periodic systems was tested in molecular dynamics simulation of the polarized Raman spectra of alpha-quartz. It appeared that the molecular Si-O bond EOPs failed to reproduce the intensity of peaks in the spectra. This limitation is due to large values of the longitudinal components of the bond polarizability and its derivative found in the molecular calculations as compared to those obtained from periodic DFT calculations of crystalline silica polymorphs by Umari et al. (Phys. Rev. B 2001, 63, 094305). It is supposed that the electric field of the solid is responsible for the difference of the parameters. Nevertheless, the EOPs obtained can be used as an initial set of parameters for calculations of polarizability related characteristics of relevant systems in the framework of BPM.
International Nuclear Information System (INIS)
Angeli, Istvan
1990-01-01
The dependence of total neutron cross section on mass number can be calculated by the black nucleus formula, according to the optical model. The fine structure of mass number dependence is studied, and a correction factor formula is given on the basis of a semi-classical optical model. Yielding results in good agreement with experimental data. In addition to the mass number dependence, the neutron-energy dependence can also be calculated using this model. (K.A.)
Model and calculation of in situ stresses in anisotropic formations
Energy Technology Data Exchange (ETDEWEB)
Yuezhi, W.; Zijun, L.; Lixin, H. [Jianghan Petroleum Institute, (China)
1997-08-01
In situ stresses in transversely isotropic material in relation to wellbore stability have been investigated. Equations for three horizontal in- situ stresses and a new formation fracture pressure model were described, and the methodology for determining the elastic parameters of anisotropic rocks in the laboratory was outlined. Results indicate significantly smaller differences between theoretically calculated pressures and actual formation pressures than results obtained by using the isotropic method. Implications for improvements in drilling efficiency were reviewed. 13 refs., 6 figs.
Perturbation theory instead of large scale shell model calculations
International Nuclear Information System (INIS)
Feldmeier, H.; Mankos, P.
1977-01-01
Results of large scale shell model calculations for (sd)-shell nuclei are compared with a perturbation theory provides an excellent approximation when the SU(3)-basis is used as a starting point. The results indicate that perturbation theory treatment in an SU(3)-basis including 2hω excitations should be preferable to a full diagonalization within the (sd)-shell. (orig.) [de
Calculation of relativistic model stars using Regge calculus
International Nuclear Information System (INIS)
Porter, J.
1987-01-01
A new approach to the Regge calculus, developed in a previous paper, is used in conjunction with the velocity potential version of relativistic fluid dynamics due to Schutz [1970, Phys. Rev., D, 2, 2762] to calculate relativistic model stars. The results are compared with those obtained when the Tolman-Oppenheimer-Volkov equations are solved by other numerical methods. The agreement is found to be excellent. (author)
Directory of Open Access Journals (Sweden)
Zina Zhang
2017-01-01
Full Text Available Purpose: To compare the outcomes of intraoperative wavefront aberrometry versus optical biometry alone for intraocular lens (IOL power calculation in eyes undergoing cataract surgery with monofocal IOL implantation. Methods: Preoperative data were obtained with the IOLMaster. Intraoperative aphakic measurements and IOL power calculations were obtained in some patients with the optiwave refractive analysis (ORA system. Analysis was performed to determine the accuracy of monofocal IOL power prediction and postoperative manifest refraction at 1 month of the ORA versus IOLMaster. Results: Two hundred and ninety-five eyes reviewed, 61 had only preoperative IOLMaster measurements and 234 had both IOLMaster and ORA measurements. Of these 234 eyes, 6 were excluded, 107 had the same recommended IOL power by ORA and IOLMaster. Sixty-four percent of these eyes were within ±0.5D. 95 eyes had IOL power implantation based on ORA instead of IOLMaster. Seventy percent of these eyes were within ±0.5D of target refraction. 26 eyes had IOL power chosen based on IOLMaster predictions instead of ORA. Sixty-five percent were within ±0.5D. In the group with IOLMaster without ORA measurements, 80% of eyes were within ±0.5D of target refraction. The absolute error was statistically smaller in those eyes where the ORA and IOLMaster recommended the same IOL power based on preoperative target refraction compared to instances in which IOL selection was based on ORA or IOLMaster alone. Neither prediction errors were statistically different between the ORA and IOLMaster alone. Conclusion: Intraoperative wavefront aberrometry with the ORA system provides postoperative refractive results comparable to conventional biometry with the IOLMaster for monofocal IOL selection.
Structure-dynamic model verification calculation of PWR 5 tests
International Nuclear Information System (INIS)
Engel, R.
1980-02-01
Within reactor safety research project RS 16 B of the German Federal Ministry of Research and Technology (BMFT), blowdown experiments are conducted at Battelle Institut e.V. Frankfurt/Main using a model reactor pressure vessel with a height of 11,2 m and internals corresponding to those in a PWR. In the present report the dynamic loading on the pressure vessel internals (upper perforated plate and barrel suspension) during the DWR 5 experiment are calculated by means of a vertical and horizontal dynamic model using the CESHOCK code. The equations of motion are resolved by direct integration. (orig./RW) [de
a Proposed Benchmark Problem for Scatter Calculations in Radiographic Modelling
Jaenisch, G.-R.; Bellon, C.; Schumm, A.; Tabary, J.; Duvauchelle, Ph.
2009-03-01
Code Validation is a permanent concern in computer modelling, and has been addressed repeatedly in eddy current and ultrasonic modeling. A good benchmark problem is sufficiently simple to be taken into account by various codes without strong requirements on geometry representation capabilities, focuses on few or even a single aspect of the problem at hand to facilitate interpretation and to avoid that compound errors compensate themselves, yields a quantitative result and is experimentally accessible. In this paper we attempt to address code validation for one aspect of radiographic modeling, the scattered radiation prediction. Many NDT applications can not neglect scattered radiation, and the scatter calculation thus is important to faithfully simulate the inspection situation. Our benchmark problem covers the wall thickness range of 10 to 50 mm for single wall inspections, with energies ranging from 100 to 500 keV in the first stage, and up to 1 MeV with wall thicknesses up to 70 mm in the extended stage. A simple plate geometry is sufficient for this purpose, and the scatter data is compared on a photon level, without a film model, which allows for comparisons with reference codes like MCNP. We compare results of three Monte Carlo codes (McRay, Sindbad and Moderato) as well as an analytical first order scattering code (VXI), and confront them to results obtained with MCNP. The comparison with an analytical scatter model provides insights into the application domain where this kind of approach can successfully replace Monte-Carlo calculations.
Ordinary Mathematical Models in Calculating the Aviation GTE Parameters
Directory of Open Access Journals (Sweden)
E. A. Khoreva
2017-01-01
Full Text Available The paper presents the analytical review results of the ordinary mathematical models of the operating process used to study aviation GTE parameters and characteristics at all stages of its creation and operation. Considers the mathematical models of the zero and the first level, which are mostly used when solving typical problems in calculating parameters and characteristics of engines.Presents a number of practical problems arising in designing aviation GTE for various applications.The application of mathematical models of the zero-level engine can be quite appropriate when the engine is considered as a component in the aircraft system to estimate its calculated individual flight performance or when modeling the flight cycle of the aircrafts of different purpose.The paper demonstrates that introduction of correction functions into the first-level mathematical models in solving typical problems (influence of the Reynolds number, characteristics deterioration of the units during the overhaul period of engine, as well as influence of the flow inhomogeneity at the inlet because of manufacturing tolerance, etc. enables providing a sufficient engineering estimate accuracy to reflect a realistic operating process in the engine and its elements.
Freeway travel speed calculation model based on ETC transaction data.
Weng, Jiancheng; Yuan, Rongliang; Wang, Ru; Wang, Chang
2014-01-01
Real-time traffic flow operation condition of freeway gradually becomes the critical information for the freeway users and managers. In fact, electronic toll collection (ETC) transaction data effectively records operational information of vehicles on freeway, which provides a new method to estimate the travel speed of freeway. First, the paper analyzed the structure of ETC transaction data and presented the data preprocess procedure. Then, a dual-level travel speed calculation model was established under different levels of sample sizes. In order to ensure a sufficient sample size, ETC data of different enter-leave toll plazas pairs which contain more than one road segment were used to calculate the travel speed of every road segment. The reduction coefficient α and reliable weight θ for sample vehicle speed were introduced in the model. Finally, the model was verified by the special designed field experiments which were conducted on several freeways in Beijing at different time periods. The experiments results demonstrated that the average relative error was about 6.5% which means that the freeway travel speed could be estimated by the proposed model accurately. The proposed model is helpful to promote the level of the freeway operation monitoring and the freeway management, as well as to provide useful information for the freeway travelers.
First-principle calculations of optical properties of monolayer arsenene and antimonene allotropes
Energy Technology Data Exchange (ETDEWEB)
Xu, Yuanfeng; Peng, Bo; Zhang, Hao; Zhang, Rongjun; Zhu, Heyuan [Shanghai Ultra-precision Optical Manufacturing Engineering Research Center and Key Laboratory of Micro and Nano Photonic Structures (Ministry of Education), Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shao, Hezhu [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China)
2017-04-15
Recently a stable monolayer of antimony in buckled honeycomb structure called antimonene was successfully grown on 3D topological insulator Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3}, which displays novel semiconducting properties. By first-principle calculations, we systematically investigate the electronic and optical properties of α- and β-allotropes of monolayer arsenene/antimonene. The obtained electronic structures reveal that the direct band gap of α-arsenene/antimonene is much smaller than the indirect band gap of their β-counterpart, respectively. Significant absorption is observed in α-antimonene, which can be used as a broad saturable absorber. For β-arsenene/antimonene, the reflectivity is low and the absorption is negligible in the visible region when the polarization along the out-plane direction, indicating that β-arsenene/antimonene are polarizationally transparent materials. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Mathematical model of kinetostatithic calculation of flat lever mechanisms
Directory of Open Access Journals (Sweden)
A. S. Sidorenko
2016-01-01
Full Text Available Currently widely used graphical-analytical methods of analysis largely obsolete, replaced by various analytical methods using computer technology. Therefore, of particular interest is the development of a mathematical model kinetostatical calculation mechanisms in the form of library procedures of calculation for all powered two groups Assyrians (GA and primary level. Before resorting to the appropriate procedure that computes all the forces in the kinematic pairs, you need to compute inertial forces, moments of forces of inertia and all external forces and moments acting on this GA. To this end shows the design diagram of the power analysis for each species GA of the second class, as well as the initial link. Finding reactions in the internal and external kinematic pairs based on equilibrium conditions with the account of forces of inertia and moments of inertia forces (Dalembert principle. Thus obtained equations of kinetostatical for their versatility have been solved by the Cramer rule. Thus, for each GA of the second class were found all 6 unknowns: the forces in the kinematic pairs, the directions of these forces as well as forces the shoulders. If we study kinetostatic mechanism with parallel consolidation of two GA in the initial link, in this case, power is the geometric sum of the forces acting on the primary link from the discarded GA. Thus, the obtained mathematical model kinetostatical calculation mechanisms in the form of libraries of mathematical procedures for determining reactions of all GA of the second class. The mathematical model kinetostatical calculation makes it relatively simple to implement its software implementation.
Hirarchical emotion calculation model for virtual human modellin - biomed 2010.
Zhao, Yue; Wright, David
2010-01-01
This paper introduces a new emotion generation method for virtual human modelling. The method includes a novel hierarchical emotion structure, a group of emotion calculation equations and a simple heuristics decision making mechanism, which enables virtual humans to perform emotionally in real-time according to their internal and external factors. Emotion calculation equations used in this research were derived from psychologic emotion measurements. Virtual humans can utilise the information in virtual memory and emotion calculation equations to generate their own numerical emotion states within the hierarchical emotion structure. Those emotion states are important internal references for virtual humans to adopt appropriate behaviours and also key cues for their decision making. A simple heuristics theory is introduced and integrated into decision making process in order to make the virtual humans decision making more like a real human. A data interface which connects the emotion calculation and the decision making structure together has also been designed and simulated to test the method in Virtools environment.
Modeling and Calculation of Dent Based on Pipeline Bending Strain
Directory of Open Access Journals (Sweden)
Qingshan Feng
2016-01-01
Full Text Available The bending strain of long-distance oil and gas pipelines can be calculated by the in-line inspection tool which used inertial measurement unit (IMU. The bending strain is used to evaluate the strain and displacement of the pipeline. During the bending strain inspection, the dent existing in the pipeline can affect the bending strain data as well. This paper presents a novel method to model and calculate the pipeline dent based on the bending strain. The technique takes inertial mapping data from in-line inspection and calculates depth of dent in the pipeline using Bayesian statistical theory and neural network. To verify accuracy of the proposed method, an in-line inspection tool is used to inspect pipeline to gather data. The calculation of dent shows the method is accurate for the dent, and the mean relative error is 2.44%. The new method provides not only strain of the pipeline dent but also the depth of dent. It is more benefit for integrity management of pipeline for the safety of the pipeline.
The optical/ultraviolet excess of isolated neutron stars in the resonant cyclotron scattering model
Tong, Hao; Xu, Ren-Xin; Song, Li-Ming
2011-12-01
X-ray dim isolated neutron stars are peculiar pulsar-like objects, characterized by their Planck-like spectrum. In studying their spectral energy distributions, optical/ultraviolet (UV) excess is a long standing problem. Recently Kaplan et al. measured the optical/UV excess for all seven sources, which is understandable in the resonant cyclotron scattering (RCS) model previously addressed. The RCS model calculations show that the RCS process can account for the observed optical/UV excess for most sources. The flat spectrum of RX J2143.0+0654 may be due to contributions from the bremsstrahlung emission of the electron system in addition to the RCS process.
Light Path Model of Fiber Optic Liquid Level Sensor Considering Residual Liquid Film on the Wall
Directory of Open Access Journals (Sweden)
Zhijun Zhang
2015-01-01
Full Text Available The working principle of the refractive-type fiber optic liquid level sensor is analyzed in detail based on the light refraction principle. The optic path models are developed in consideration of common simplification and the residual liquid film on the glass tube wall. The calculating formulae for the model are derived, constraint conditions are obtained, influencing factors are discussed, and the scopes and skills of application are analyzed through instance simulations. The research results are useful in directing the correct usage of the fiber optic liquid level sensor, especially in special cases, such as those involving viscous liquid in the glass tube monitoring.
Theoretical model for calculation of molecular stopping power
International Nuclear Information System (INIS)
Xu, Y.J.
1984-01-01
A modified local plasma model based on the work of Linhard-Winther, Bethe, Brown, and Walske is established. The Gordon-Kim's molecular charged density model is employed to obtain a formula to evaluate the stopping power of many useful molecular systems. The stopping power of H 2 and He gas was calculated for incident proton energy ranging from 100 KeV to 2.5 MeV. The stopping power of O 2 , N 2 , and water vapor was also calculated for incident proton energy ranging from 40 keV to 2.5 MeV. Good agreement with experimental data was obtained. A discussion of molecular effects leading to departure from Bragg's rule is presented. The equipartition rule and the effect of nuclear momentum recoiling in stopping power are also discussed in the appendix. The calculation procedure presented hopefully can easily be extended to include the most useful organic systems such as the molecules composed of carbon, nitrogen, hydrogen and oxygen which are useful in radiation protection field
Total energy calculations from self-energy models
International Nuclear Information System (INIS)
Sanchez-Friera, P.
2001-06-01
Density-functional theory is a powerful method to calculate total energies of large systems of interacting electrons. The usefulness of this method, however, is limited by the fact that an approximation is required for the exchange-correlation energy. Currently used approximations (LDA and GGA) are not sufficiently accurate in many physical problems, as for instance the study of chemical reactions. It has been shown that exchange-correlation effects can be accurately described via the self-energy operator in the context of many-body perturbation theory. This is, however, a computationally very demanding approach. In this thesis a new scheme for calculating total energies is proposed, which combines elements from many-body perturbation theory and density-functional theory. The exchange-correlation energy functional is built from a simplified model of the self-energy, that nevertheless retains the main features of the exact operator. The model is built in such way that the computational effort is not significantly increased with respect to that required in a typical density-functional theory calculation. (author)
Calculations of the electrostatic potential adjacent to model phospholipid bilayers.
Peitzsch, R M; Eisenberg, M; Sharp, K A; McLaughlin, S
1995-03-01
We used the nonlinear Poisson-Boltzmann equation to calculate electrostatic potentials in the aqueous phase adjacent to model phospholipid bilayers containing mixtures of zwitterionic lipids (phosphatidylcholine) and acidic lipids (phosphatidylserine or phosphatidylglycerol). The aqueous phase (relative permittivity, epsilon r = 80) contains 0.1 M monovalent salt. When the bilayers contain equipotential surfaces are discrete domes centered over the negatively charged lipids and are approximately twice the value calculated using Debye-Hückel theory. When the bilayers contain > 25% acidic lipid, the -25 mV equipotential profiles are essentially flat and agree well with the values calculated using Gouy-Chapman theory. When the bilayers contain 100% acidic lipid, all of the equipotential surfaces are flat and agree with Gouy-Chapman predictions (including the -100 mV surface, which is located only 1 A from the outermost atoms). Even our model bilayers are not simple systems: the charge on each lipid is distributed over several atoms, these partial charges are non-coplanar, there is a 2 A ion-exclusion region (epsilon r = 80) adjacent to the polar headgroups, and the molecular surface is rough. We investigated the effect of these four factors using smooth (or bumpy) epsilon r = 2 slabs with embedded point charges: these factors had only minor effects on the potential in the aqueous phase.
Analytical Modeling Tool for Design of Hydrocarbon Sensitive Optical Fibers
Directory of Open Access Journals (Sweden)
Khalil Al Handawi
2017-09-01
Full Text Available Pipelines are the main transportation means for oil and gas products across large distances. Due to the severe conditions they operate in, they are regularly inspected using conventional Pipeline Inspection Gages (PIGs for corrosion damage. The motivation for researching a real-time distributed monitoring solution arose to mitigate costs and provide a proactive indication of potential failures. Fiber optic sensors with polymer claddings provide a means of detecting contact with hydrocarbons. By coating the fibers with a layer of metal similar in composition to that of the parent pipeline, corrosion of this coating may be detected when the polymer cladding underneath is exposed to the surrounding hydrocarbons contained within the pipeline. A Refractive Index (RI change occurs in the polymer cladding causing a loss in intensity of a traveling light pulse due to a reduction in the fiber’s modal capacity. Intensity losses may be detected using Optical Time Domain Reflectometry (OTDR while pinpointing the spatial location of the contact via time delay calculations of the back-scattered pulses. This work presents a theoretical model for the above sensing solution to provide a design tool for the fiber optic cable in the context of hydrocarbon sensing following corrosion of an external metal coating. Results are verified against the experimental data published in the literature.
Analytical Modeling Tool for Design of Hydrocarbon Sensitive Optical Fibers.
Al Handawi, Khalil; Vahdati, Nader; Shiryayev, Oleg; Lawand, Lydia
2017-09-28
Pipelines are the main transportation means for oil and gas products across large distances. Due to the severe conditions they operate in, they are regularly inspected using conventional Pipeline Inspection Gages (PIGs) for corrosion damage. The motivation for researching a real-time distributed monitoring solution arose to mitigate costs and provide a proactive indication of potential failures. Fiber optic sensors with polymer claddings provide a means of detecting contact with hydrocarbons. By coating the fibers with a layer of metal similar in composition to that of the parent pipeline, corrosion of this coating may be detected when the polymer cladding underneath is exposed to the surrounding hydrocarbons contained within the pipeline. A Refractive Index (RI) change occurs in the polymer cladding causing a loss in intensity of a traveling light pulse due to a reduction in the fiber's modal capacity. Intensity losses may be detected using Optical Time Domain Reflectometry (OTDR) while pinpointing the spatial location of the contact via time delay calculations of the back-scattered pulses. This work presents a theoretical model for the above sensing solution to provide a design tool for the fiber optic cable in the context of hydrocarbon sensing following corrosion of an external metal coating. Results are verified against the experimental data published in the literature.
Improved SVR Model for Multi-Layer Buildup Factor Calculation
International Nuclear Information System (INIS)
Trontl, K.; Pevec, D.; Smuc, T.
2006-01-01
The accuracy of point kernel method applied in gamma ray dose rate calculations in shielding design and radiation safety analysis is limited by the accuracy of buildup factors used in calculations. Although buildup factors for single-layer shields are well defined and understood, buildup factors for stratified shields represent a complex physical problem that is hard to express in mathematical terms. The traditional approach for expressing buildup factors of multi-layer shields is through semi-empirical formulas obtained by fitting the results of transport theory or Monte Carlo calculations. Such an approach requires an ad-hoc definition of the fitting function and often results with numerous and usually inadequately explained and defined correction factors added to the final empirical formula. Even more, finally obtained formulas are generally limited to a small number of predefined combinations of materials within relatively small range of gamma ray energies and shield thicknesses. Recently, a new approach has been suggested by the authors involving one of machine learning techniques called Support Vector Machines, i.e., Support Vector Regression (SVR). Preliminary investigations performed for double-layer shields revealed great potential of the method, but also pointed out some drawbacks of the developed model, mostly related to the selection of one of the parameters describing the problem (material atomic number), and the method in which the model was designed to evolve during the learning process. It is the aim of this paper to introduce a new parameter (single material buildup factor) that is to replace the existing material atomic number as an input parameter. The comparison of two models generated by different input parameters has been performed. The second goal is to improve the evolution process of learning, i.e., the experimental computational procedure that provides a framework for automated construction of complex regression models of predefined
Freight Calculation Model: A Case Study of Coal Distribution
Yunianto, I. T.; Lazuardi, S. D.; Hadi, F.
2018-03-01
Coal has been known as one of energy alternatives that has been used as energy source for several power plants in Indonesia. During its transportation from coal sites to power plant locations is required the eligible shipping line services that are able to provide the best freight rate. Therefore, this study aims to obtain the standardized formulations for determining the ocean freight especially for coal distribution based on the theoretical concept. The freight calculation model considers three alternative transport modes commonly used in coal distribution: tug-barge, vessel and self-propelled barge. The result shows there are two cost components very dominant in determining the value of freight with the proportion reaching 90% or even more, namely: time charter hire and fuel cost. Moreover, there are three main factors that have significant impacts on the freight calculation, which are waiting time at ports, time charter rate and fuel oil price.
Nuclear model calculations on cyclotron production of {sup 51}Cr
Energy Technology Data Exchange (ETDEWEB)
Kakavand, Tayeb [Imam Khomeini International Univ., Qazvin (Iran, Islamic Republic of). Dept. of Physics; Aboudzadeh, Mohammadreza [Nuclear Science and Technology Research Institute/AEOI, Karaj (Iran, Islamic Republic of). Agricultural, Medical and Industrial Research School; Farahani, Zahra; Eslami, Mohammad [Zanjan Univ. (Iran, Islamic Republic of). Dept. of Physics
2015-12-15
{sup 51}Cr (T{sub 1/2} = 27.7 d), which decays via electron capture (100 %) with 320 keV gamma emission (9.8 %), is a radionuclide with still a large application in biological studies. In this work, ALICE/ASH and TALYS nuclear model codes along with some adjustments are used to calculate the excitation functions for proton, deuteron, α-particle and neutron induced on various targets leading to the production of {sup 51}Cr radioisotope. The production yields of {sup 51}Cr from various reactions are determined using the excitation function calculations and stopping power data. The results are compared with corresponding experimental data and discussed from point of view of feasibility.
Berger, J. A.; de Boeij, P. L.; van Leeuwen, R.
In this work, we investigate the Vignale-Kohn current functional when applied to the calculation of optical spectra of semiconductors. We discuss our results for silicon. We found qualitatively similar results for other semiconductors. These results show that there are serious limitations to the
Space Object Radiometric Modeling for Hardbody Optical Signature Database Generation
2009-09-01
Introduction This presentation summarizes recent activity in monitoring spacecraft health status using passive remote optical nonimaging ...Approved for public release; distribution is unlimited. Space Object Radiometric Modeling for Hardbody Optical Signature Database Generation...It is beneficial to the observer/analyst to understand the fundamental optical signature variability associated with these detection and
A relativistic point coupling model for nuclear structure calculations
International Nuclear Information System (INIS)
Buervenich, T.; Maruhn, J.A.; Madland, D.G.; Reinhard, P.G.
2002-01-01
A relativistic point coupling model is discussed focusing on a variety of aspects. In addition to the coupling using various bilinear Dirac invariants, derivative terms are also included to simulate finite-range effects. The formalism is presented for nuclear structure calculations of ground state properties of nuclei in the Hartree and Hartree-Fock approximations. Different fitting strategies for the determination of the parameters have been applied and the quality of the fit obtainable in this model is discussed. The model is then compared more generally to other mean-field approaches both formally and in the context of applications to ground-state properties of known and superheavy nuclei. Perspectives for further extensions such as an exact treatment of the exchange terms using a higher-order Fierz transformation are discussed briefly. (author)
Model for calculation of electrostatic contribution into protein stability
Kundrotas, Petras; Karshikoff, Andrey
2003-03-01
Existing models of the denatured state of proteins consider only one possible spatial distribution of protein charges and therefore are applicable to a limited number of cases. In this presentation a more general framework for the modeling of the denatured state is proposed. It is based on the assumption that the titratable groups of an unfolded protein can adopt a quasi-random distribution, restricted by the protein sequence. The model was tested on two proteins, barnase and N-terminal domain of the ribosomal protein L9. The calculated free energy of denaturation, Δ G( pH), reproduces the experimental data essentially better than the commonly used null approximation (NA). It was demonstrated that the seemingly good agreement with experimental data obtained by NA originates from the compensatory effect between the pair-wise electrostatic interactions and the desolvation energy of the individual sites. It was also found that the ionization properties of denatured proteins are influenced by the protein sequence.
Physical model and calculation code for fuel coolant interactions
International Nuclear Information System (INIS)
Goldammer, H.; Kottowski, H.
1976-01-01
A physical model is proposed to describe fuel coolant interactions in shock-tube geometry. According to the experimental results, an interaction model which divides each cycle into three phases is proposed. The first phase is the fuel-coolant-contact, the second one is the ejection and recently of the coolant, and the third phase is the impact and fragmentation. Physical background of these phases are illustrated in the first part of this paper. Mathematical expressions of the model are exposed in the second part. A principal feature of the computational method is the consistent application of the fourier-equation throughout the whole interaction process. The results of some calculations, performed for different conditions are compiled in attached figures. (Aoki, K.)
Intravascular brachytherapy: a model for the calculation of the dose
International Nuclear Information System (INIS)
Pirchio, Rosana; Martin, Gabriela; Rivera, Elena; Cricco, Graciela; Cocca, Claudia; Gutierrez, Alicia; Nunez, Mariel; Bergoc, Rosa; Guzman, Luis; Belardi, Diego
2002-01-01
In this study we present the radiation dose distribution for a theoretical model with Montecarlo simulation, and based on an experimental model developed for the study of the prevention of restenosis post-angioplasty employing intravascular brachytherapy. In the experimental in vivo model, the atherosclerotic plaques were induced in femoral arteries of male New Zealand rabbits through surgical intervention and later administration of cholesterol enriched diet. For the intravascular irradiation we employed a 32P source contained within the balloon used for the angioplasty. The radiation dose distributions were calculated using the Monte Carlo code MCNP4B according to a segment of a simulated artery. We studied the radiation dose distribution in the axial and radial directions for different thickness of the atherosclerotic plaques. The results will be correlated with the biologic effects observed by means of histological analysis of the irradiated arteries (Au)
Yi, Xingwen; Xu, Bo; Zhang, Jing; Lin, Yun; Qiu, Kun
2014-12-15
Digital coherent superposition (DCS) of optical OFDM subcarrier pairs with Hermitian symmetry can reduce the inter-carrier-interference (ICI) noise resulted from phase noise. In this paper, we show two different implementations of DCS-OFDM that have the same performance in the presence of laser phase noise. We complete the theoretical calculation on ICI reduction by using the model of pure Wiener phase noise. By Taylor expansion of the ICI, we show that the ICI power is cancelled to the second order by DCS. The fourth order term is further derived out and only decided by the ratio of laser linewidth to OFDM subcarrier symbol rate, which can greatly simplify the system design. Finally, we verify our theoretical calculations in simulations and use the analytical results to predict the system performance. DCS-OFDM is expected to be beneficial to certain optical fiber transmissions.
Lu, Dao-Bang; Song, Yu-Ling
2018-03-01
Based on density functional theory, we perform first-principles investigations to study the optical properties of the O-, F- and H-terminated SiC nanoribbons with armchair edges (ASiCNRs). By irradiating with an external electromagnetic field, we calculate the dielectric function, reflection spectra, energy loss coefficient and the real part of the conductance. It is demonstrated that the optical constants are sensitive to the low-energy range, different terminal atoms do not make much difference in the shape of the curves of the optical constants for the same-width ASiCNR, and the optical constants of wider nanoribbons usually have higher peaks than that of the narrower ones in low energy range. We hope that our study helps in experimental technology of fabricating high-quality SiC-based nanoscale photoelectric device.
Optical modeling of Fresnel zoneplate microscopes
International Nuclear Information System (INIS)
Naulleau, Patrick P.; Mochi, Iacopo; Goldberg, Kenneth A.
2011-01-01
Defect free masks remain one of the most significant challenges facing the commercialization of extreme ultraviolet (EUV) lithography. Progress on this front requires high-performance wavelength-specific metrology of EUV masks, including high-resolution and aerial-image microscopy performed near the 13.5 nm wavelength. Arguably the most cost-effective and rapid path to proliferating this capability is through the development of Fresnel zoneplate-based microscopes. Given the relative obscurity of such systems, however, modeling tools are not necessarily optimized to deal with them and their imaging properties are poorly understood. Here we present a modeling methodology to analyze zoneplate microscopes based on commercially available optical modeling software and use the technique to investigate the imaging performance of an off-axis EUV microscope design. The modeling predicts that superior performance can be achieved by tilting the zoneplate, making it perpendicular to the chief ray at the center of the field, while designing the zoneplate to explicitly work in that tilted plane. Although the examples presented here are in the realm of EUV mask inspection, the methods described and analysis results are broadly applicable to zoneplate microscopes in general, including full-field soft-x-ray microscopes routinely used in the synchrotron community.
MODEL OF FEES CALCULATION FOR ACCESS TO TRACK INFRASTRUCTURE FACILITIES
Directory of Open Access Journals (Sweden)
M. I. Mishchenko
2014-12-01
Full Text Available Purpose. The purpose of the article is to develop a one- and two-element model of the fees calculation for the use of track infrastructure of Ukrainian railway transport. Methodology. On the basis of this one can consider that when planning the planned preventive track repair works and the amount of depreciation charges the guiding criterion is not the amount of progress it is the operating life of the track infrastructure facilities. The cost of PPTRW is determined on the basis of the following: the classification track repairs; typical technological processes for track repairs; technology based time standards for PPTRW; costs for the work of people, performing the PPTRW, their hourly wage rates according to the Order 98-Ts; the operating cost of machinery; regulated list; norms of expenditures and costs of materials and products (they have the largest share of the costs for repairs; railway rates; average distances for transportation of materials used during repair; standards of general production expenses and the administrative costs. Findings. The models offered in article allow executing the objective account of expenses in travelling facilities for the purpose of calculation of the proved size of indemnification and necessary size of profit, the sufficient enterprises for effective activity of a travelling infrastructure. Originality. The methodological bases of determination the fees (payments for the use of track infrastructure on one- and two-element base taking into account the experience of railways in the EC countries and the current transport legislation were grounded. Practical value. The article proposes the one- and two-element models of calculating the fees (payments for the TIF use, accounting the applicable requirements of European transport legislation, which provides the expense compensation and income formation, sufficient for economic incentives of the efficient operation of the TIE of Ukrainian railway transport.
Wang, Hongliang; Liu, Baohua; Ding, Zhongjun; Wang, Xiangxin
2017-02-01
Absorption-based optical sensors have been developed for the determination of water pH. In this paper, based on the preparation of a transparent sol-gel thin film with a phenol red (PR) indicator, several calculation methods, including simple linear regression analysis, quadratic regression analysis and dual-wavelength absorbance ratio analysis, were used to calculate water pH. Results of MSSRR show that dual-wavelength absorbance ratio analysis can improve the calculation accuracy of water pH in long-term measurement.
Model for optical-laser-induced impulse in vacuo
International Nuclear Information System (INIS)
Dingus, R.S.; Goldman, S.R.
1985-01-01
A simple model, along with its derivation, is presented for calculating the impulse from targets in a vacuum exposed to single-pulse, optical lasers. Figures demonstrate that throughout most of the range of interest, results from the model agree well with experimental data and LASNEX radiation-hydrodynamic computer code calculations. The model assumes isothermal blowoff and thus takes advantage of the insensitivity of impulse to energy distribution within the ablated mass. The density profile in the blowoff is estimated and the Saha equation is used to evaluate the degree of ionization. The laser absorption coefficient and thermal radiation opacity are evaluated as a function of position in the blowoff in order to evaluate the energy reaching the ablation surface. An overall energy balance plus an energy balance at the ablation surface are used to determine the blowoff mass and temperature. The success of the model indicates that the impulse is insensitive to detailed interactions in the vicinity of the ablation surface. 11 refs., 6 figs
The calculation of exchange forces: General results and specific models
International Nuclear Information System (INIS)
Scott, T.C.; Babb, J.F.; Dalgarno, A.; Morgan, J.D. III
1993-01-01
In order to clarify questions about the calculation of the exchange energy of a homonuclear molecular ion, an analysis is carried out of a model problem consisting of the one-dimensional limit of H 2 + . It is demonstrated that the use of the infinite polarization expansion for the localized wave function in the Holstein--Herring formula yields an approximate exchange energy which at large internuclear distances R has the correct leading behavior to O(e -R ) and is close to but not equal to the exact exchange energy. The extension to the n-dimensional double-well problem is presented
A linear ion optics model for extraction from a plasma ion source
International Nuclear Information System (INIS)
Dietrich, J.
1987-01-01
A linear ion optics model for ion extraction from a plasma ion source is presented, based on the paraxial equations which account for lens effects, space charge and finite source ion temperature. This model is applied to three- and four-electrode extraction systems with circular apertures. The results are compared with experimental data and numerical calculations in the literature. It is shown that the improved calculations of space charge effects and lens effects allow better agreement to be obtained than in earlier linear optics models. A principal result is that the model presented here describes the dependence of the optimum perveance on the aspect ratio in a manner similar to the nonlinear optics theory. (orig.)
Modeling Dynamic Objects in Monte Carlo Particle Transport Calculations
International Nuclear Information System (INIS)
Yegin, G.
2008-01-01
In this study, the Multi-Geometry geometry modeling technique was improved in order to handle moving objects in a Monte Carlo particle transport calculation. In the Multi-Geometry technique, the geometry is a superposition of objects not surfaces. By using this feature, we developed a new algorithm which allows a user to make enable or disable geometry elements during particle transport. A disabled object can be ignored at a certain stage of a calculation and switching among identical copies of the same object located adjacent poins during a particle simulation corresponds to the movement of that object in space. We called this powerfull feature as Dynamic Multi-Geometry technique (DMG) which is used for the first time in Brachy Dose Monte Carlo code to simulate HDR brachytherapy treatment systems. Our results showed that having disabled objects in a geometry does not effect calculated dose values. This technique is also suitable to be used in other areas such as IMRT treatment planning systems
International Nuclear Information System (INIS)
Kumar, V.; Tripathy, S.K.
2014-01-01
Highlights: • Optical properties of ZnSiP 2 studied under different pressure for stable structure. • Birefringence has been calculated at different wavelengths. • Lattice constants, ħω p , bulk modulus and its derivative have been calculated. • C ij , Y, υ and Zener anisotropic factor have also been estimated. • Our calculated values are relative more close to the experimental values. -- Abstract: The plane wave pseudo-potential method within density functional theory (DFT) has been used to investigate the structural, electronic, optical and elastic properties of ZnSiP 2 chalcopyrite semiconductor. The lattice constants are calculated from the optimized unit cells and compare with the experimental value. The band structure, total density of states (TDOS) and partial density of states (PDOS) have been discussed. The energy gap has been calculated along the Γ direction found to be 1.383 eV, which shows that ZnSiP 2 is pseudo-direct in nature. We have also analyzed the frequency dependent dielectric constant ε(ω) and calculated the birefringence (Δn). The optical properties under three different hydrostatic pressures of 0 GPa, 10 GPa and 20 GPa have been described for the first time in the energy range 0–20 eV. The values of bulk modulus (B), pressure derivative of bulk modulus (B ∗ ), elastic constants (C ij ), Young’s modulus (Y), anisotropic factor (A) and Poisson’s ratio (ν) have been calculated. The calculated values of all above parameters are compared with the available experimental values and the values reported by different workers. A fairly good agreement has been found between them
Optical model theory of elastic electron- and positron-atom scattering at intermediate energies
International Nuclear Information System (INIS)
Joachain, C.J.
1977-01-01
It is stated that the basic idea of the optical model theory is to enable analysis of the elastic scattering of a particle from a complex target by replacing the complicated interactions between the beam and the target by an optical potential, or pseudopotential, in which the incident particle moves. Once the optical potential is determined the original many-body elastic scattering problem reduces to a one-body situation. The resulting optical potential is, however, a very complicated operator, and the formal expressions obtained from first principles for the optical potential can only be evaluated approximately in a few simple cases, such as high energy elastic hadron-nucleus scattering, for the the optical potential can be expressed in terms of two-body hadron-nucleon amplitudes, and the non-relativistic elastic scattering of fast charged particles by atoms. The elastic scattering of an electron or positron by a neutral atom at intermediate energies is here considered. Exchange effects between the projectile and the atomic electrons are considered; also absorption and polarisation effects. Applications of the full-wave optical model have so far only been made to the elastic scattering of fast electrons and positrons by atomic H, He, Ne, and Ar. Agreements of the optical model results with absolute measurements of differential cross sections for electron scattering are very good, an agreement that improves as the energy increases, but deteriorates quickly as the incident energy becomes lower than 50 eV for atomic H or 100 eV for He. For more complex atoms the optical model calculations also appear very encouraging. With regard to positron-atom elastic scattering the optical model results for positron-He scattering differ markedly at small angles from the corresponding electron-He values. It would be interesting to have experimental angular distributions of positron-atom elastic scattering in order to check predictions of the optical model theory. (U.K.)
Determination of appropriate models and parameters for premixing calculations
Energy Technology Data Exchange (ETDEWEB)
Park, Ik-Kyu; Kim, Jong-Hwan; Min, Beong-Tae; Hong, Seong-Wan
2008-03-15
The purpose of the present work is to use experiments that have been performed at Forschungszentrum Karlsruhe during about the last ten years for determining the most appropriate models and parameters for premixing calculations. The results of a QUEOS experiment are used to fix the parameters concerning heat transfer. The QUEOS experiments are especially suited for this purpose as they have been performed with small hot solid spheres. Therefore the area of heat exchange is known. With the heat transfer parameters fixed in this way, a PREMIX experiment is recalculated. These experiments have been performed with molten alumina (Al{sub 2}O{sub 3}) as a simulant of corium. Its initial temperature is 2600 K. With these experiments the models and parameters for jet and drop break-up are tested.
Determination of appropriate models and parameters for premixing calculations
International Nuclear Information System (INIS)
Park, Ik-Kyu; Kim, Jong-Hwan; Min, Beong-Tae; Hong, Seong-Wan
2008-03-01
The purpose of the present work is to use experiments that have been performed at Forschungszentrum Karlsruhe during about the last ten years for determining the most appropriate models and parameters for premixing calculations. The results of a QUEOS experiment are used to fix the parameters concerning heat transfer. The QUEOS experiments are especially suited for this purpose as they have been performed with small hot solid spheres. Therefore the area of heat exchange is known. With the heat transfer parameters fixed in this way, a PREMIX experiment is recalculated. These experiments have been performed with molten alumina (Al 2 O 3 ) as a simulant of corium. Its initial temperature is 2600 K. With these experiments the models and parameters for jet and drop break-up are tested
Calculating excess lifetime risk in relative risk models
International Nuclear Information System (INIS)
Vaeth, M.; Pierce, D.A.
1990-01-01
When assessing the impact of radiation exposure it is common practice to present the final conclusions in terms of excess lifetime cancer risk in a population exposed to a given dose. The present investigation is mainly a methodological study focusing on some of the major issues and uncertainties involved in calculating such excess lifetime risks and related risk projection methods. The age-constant relative risk model used in the recent analyses of the cancer mortality that was observed in the follow-up of the cohort of A-bomb survivors in Hiroshima and Nagasaki is used to describe the effect of the exposure on the cancer mortality. In this type of model the excess relative risk is constant in age-at-risk, but depends on the age-at-exposure. Calculation of excess lifetime risks usually requires rather complicated life-table computations. In this paper we propose a simple approximation to the excess lifetime risk; the validity of the approximation for low levels of exposure is justified empirically as well as theoretically. This approximation provides important guidance in understanding the influence of the various factors involved in risk projections. Among the further topics considered are the influence of a latent period, the additional problems involved in calculations of site-specific excess lifetime cancer risks, the consequences of a leveling off or a plateau in the excess relative risk, and the uncertainties involved in transferring results from one population to another. The main part of this study relates to the situation with a single, instantaneous exposure, but a brief discussion is also given of the problem with a continuous exposure at a low-dose rate
Directory of Open Access Journals (Sweden)
O. Funk
2003-03-01
Full Text Available This paper addresses the statistics underlying cloudy sky radiative transfer (RT by inspection of the distribution of the path lengths of solar photons. Recent studies indicate that this approach is promising, since it might reveal characteristics about the diffusion process underlying atmospheric radiative transfer (Pfeilsticker, 1999. Moreover, it uses an observable that is directly related to the atmospheric absorption and, therefore, of climatic relevance. However, these studies are based largely on the accuracy of the measurement of the photon path length distribution (PPD. This paper presents a refined analysis method based on high resolution spectroscopy of the oxygen A-band. The method is validated by Monte Carlo simulation atmospheric spectra. Additionally, a new method to measure the effective optical thickness of cloud layers, based on fitting the measured differential transmissions with a 1-dimensional (discrete ordinate RT model, is presented. These methods are applied to measurements conducted during the cloud radar inter-comparison campaign CLARE’98, which supplied detailed cloud structure information, required for the further analysis. For some exemplary cases, measured path length distributions and optical thicknesses are presented and backed by detailed RT model calculations. For all cases, reasonable PPDs can be retrieved and the effects of the vertical cloud structure are found. The inferred cloud optical thicknesses are in agreement with liquid water path measurements. Key words. Meteorology and atmospheric dynamics (radiative processes; instruments and techniques
Directory of Open Access Journals (Sweden)
O. Funk
Full Text Available This paper addresses the statistics underlying cloudy sky radiative transfer (RT by inspection of the distribution of the path lengths of solar photons. Recent studies indicate that this approach is promising, since it might reveal characteristics about the diffusion process underlying atmospheric radiative transfer (Pfeilsticker, 1999. Moreover, it uses an observable that is directly related to the atmospheric absorption and, therefore, of climatic relevance. However, these studies are based largely on the accuracy of the measurement of the photon path length distribution (PPD. This paper presents a refined analysis method based on high resolution spectroscopy of the oxygen A-band. The method is validated by Monte Carlo simulation atmospheric spectra. Additionally, a new method to measure the effective optical thickness of cloud layers, based on fitting the measured differential transmissions with a 1-dimensional (discrete ordinate RT model, is presented. These methods are applied to measurements conducted during the cloud radar inter-comparison campaign CLARE’98, which supplied detailed cloud structure information, required for the further analysis. For some exemplary cases, measured path length distributions and optical thicknesses are presented and backed by detailed RT model calculations. For all cases, reasonable PPDs can be retrieved and the effects of the vertical cloud structure are found. The inferred cloud optical thicknesses are in agreement with liquid water path measurements.
Key words. Meteorology and atmospheric dynamics (radiative processes; instruments and techniques
Recent Developments in No-Core Shell-Model Calculations
International Nuclear Information System (INIS)
Navratil, P.; Quaglioni, S.; Stetcu, I.; Barrett, B.R.
2009-01-01
We present an overview of recent results and developments of the no-core shell model (NCSM), an ab initio approach to the nuclear many-body problem for light nuclei. In this aproach, we start from realistic two-nucleon or two- plus three-nucleon interactions. Many-body calculations are performed using a finite harmonic-oscillator (HO) basis. To facilitate convergence for realistic inter-nucleon interactions that generate strong short-range correlations, we derive effective interactions by unitary transformations that are tailored to the HO basis truncation. For soft realistic interactions this might not be necessary. If that is the case, the NCSM calculations are variational. In either case, the ab initio NCSM preserves translational invariance of the nuclear many-body problem. In this review, we, in particular, highlight results obtained with the chiral two- plus three-nucleon interactions. We discuss efforts to extend the applicability of the NCSM to heavier nuclei and larger model spaces using importance-truncation schemes and/or use of effective interactions with a core. We outline an extension of the ab initio NCSM to the description of nuclear reactions by the resonating group method technique. A future direction of the approach, the ab initio NCSM with continuum, which will provide a complete description of nuclei as open systems with coupling of bound and continuum states is given in the concluding part of the review.
Recent Developments in No-Core Shell-Model Calculations
Energy Technology Data Exchange (ETDEWEB)
Navratil, P; Quaglioni, S; Stetcu, I; Barrett, B R
2009-03-20
We present an overview of recent results and developments of the no-core shell model (NCSM), an ab initio approach to the nuclear many-body problem for light nuclei. In this aproach, we start from realistic two-nucleon or two- plus three-nucleon interactions. Many-body calculations are performed using a finite harmonic-oscillator (HO) basis. To facilitate convergence for realistic inter-nucleon interactions that generate strong short-range correlations, we derive effective interactions by unitary transformations that are tailored to the HO basis truncation. For soft realistic interactions this might not be necessary. If that is the case, the NCSM calculations are variational. In either case, the ab initio NCSM preserves translational invariance of the nuclear many-body problem. In this review, we, in particular, highlight results obtained with the chiral two- plus three-nucleon interactions. We discuss efforts to extend the applicability of the NCSM to heavier nuclei and larger model spaces using importance-truncation schemes and/or use of effective interactions with a core. We outline an extension of the ab initio NCSM to the description of nuclear reactions by the resonating group method technique. A future direction of the approach, the ab initio NCSM with continuum, which will provide a complete description of nuclei as open systems with coupling of bound and continuum states is given in the concluding part of the review.
Modeling and calculation of open carbon dioxide refrigeration system
International Nuclear Information System (INIS)
Cai, Yufei; Zhu, Chunling; Jiang, Yanlong; Shi, Hong
2015-01-01
Highlights: • A model of open refrigeration system is developed. • The state of CO 2 has great effect on Refrigeration capacity loss by heat transfer. • Refrigeration capacity loss by remaining CO 2 has little relation to the state of CO 2 . • Calculation results are in agreement with the test results. - Abstract: Based on the analysis of the properties of carbon dioxide, an open carbon dioxide refrigeration system is proposed, which is responsible for the situation without external electricity unit. A model of open refrigeration system is developed, and the relationship between the storage environment of carbon dioxide and refrigeration capacity is conducted. Meanwhile, a test platform is developed to simulation the performance of the open carbon dioxide refrigeration system. By comparing the theoretical calculations and the experimental results, several conclusions are obtained as follows: refrigeration capacity loss by heat transfer in supercritical state is much more than that in two-phase region and the refrigeration capacity loss by remaining carbon dioxide has little relation to the state of carbon dioxide. The results will be helpful to the use of open carbon dioxide refrigeration
Curci, Gabriele
2017-04-01
the coating formation). We compare sunphotometer observations from the AERosol RObotic NETwork (AERONET, http://aeronet.gsfc.nasa.gov/) across Europe and North America for the year 2010 with simulations from the Air Quality Modeling Evaluation International Initiative (AQMEII, http://aqmeii.jrc.ec.europa.eu/). The calculation of optical properties from simulated aerosol profiles is carried out using a single post-processing tool (FlexAOD, http://pumpkin.aquila.infn.it/flexaod/) that allows explicit and flexible assignment of the underlying assumptions mentioned above. We found that the combination of externally and internally mixed particles weighted through the F_in fraction gives the best agreement between models and observations, in particular regarding the single-scattering albedo.
Calculation of Reflectance and Transmittance of Coating With Optically Rough Surfaces
International Nuclear Information System (INIS)
El-Depsy, A.; Shawky, A.M.
2011-01-01
For ideal surfaces, components of the reflected beam are related to the components of the incident beam by Fresnel reflection equation. The surfaces encountered in engineering applications deviate from ideal as a result of roughness, oxidization and contamination; hence the Radiative properties of these real surfaces differ greatly from those predicted by electromagnetic theory. In regard to problems of radiative heat transfer; the roughness of surfaces may be divided into two categories: (1) small surface irregularities such that the incident radiation cannot undergo more than a single reflection, (2) deep cavities in which the incident radiation undergoes multi-reflection. The normally incident radiation from rough surface having small irregularities is reflected partly specularly and partly diffusely [1]. Kubelka-Munk theory (K-M) [2] describes optical characteristics (e.g. reflectance, transmittance and absorbance) by a variety of light scattering media including paints, textiles and papers, and It is widely used in various industrial applications. Moder developments in radiative transfer theory (RTT) enable the derivation of (K-M) parameters from first principles [3]. Kubelka and Munk proposed a theory based on a model of two light fluxes travelling in the forward and backward directions. Subsequently a number of authors refined the theory and compared it with experimental data [4]. Several authors attempted to relate the Kubelka- Munk coefficients to the transport coefficients [5,6
Computational models for probabilistic neutronic calculation in TADSEA
International Nuclear Information System (INIS)
Garcia, Jesus A.R.; Curbelo, Jesus P.; Hernandez, Carlos R.G.; Oliva, Amaury M.; Lira, Carlos A.B.O.
2013-01-01
The Very High Temperature Reactor is one of the main candidates for the next generation of nuclear power plants. In pebble bed reactors, the fuel is contained within graphite pebbles in the form of TRISO particles, which form a randomly packed bed inside a graphite-walled cylindrical cavity. In previous studies, the conceptual design of a Transmutation Advanced Device for Sustainable Energy Applications (TADSEA) has been made. The TADSEA is a pebble-bed ADS cooled by helium and moderated by graphite. In order to simulate the TADSEA correctly, the double heterogeneity of the system must be considered. It consists on randomly located pebbles into the core and randomly located TRISO particles into the fuel pebbles. These features are often neglected due to the difficulty to model with MCNP code. The main reason is that there is a limited number of cells and surfaces to be defined. In this paper a computational tool, which allows to get a new geometrical model for fuel pebble to neutronic calculation with MCNPX, was presented. The heterogeneity of system is considered, and also the randomly located TRISO particles inside the pebble. There are also compared several neutronic computational models for TADSEA's fuel pebbles in order to study heterogeneity effects. On the other hand the boundary effect given by the intersection between the pebble surface and the TRISO particles could be significative in the multiplicative properties. A model to study this e ect is also presented. (author)
Volume-based geometric modeling for radiation transport calculations
International Nuclear Information System (INIS)
Li, Z.; Williamson, J.F.
1992-01-01
Accurate theoretical characterization of radiation fields is a valuable tool in the design of complex systems, such as linac heads and intracavitary applicators, and for generation of basic dose calculation data that is inaccessible to experimental measurement. Both Monte Carlo and deterministic solutions to such problems require a system for accurately modeling complex 3-D geometries that supports ray tracing, point and segment classification, and 2-D graphical representation. Previous combinatorial approaches to solid modeling, which involve describing complex structures as set-theoretic combinations of simple objects, are limited in their ease of use and place unrealistic constraints on the geometric relations between objects such as excluding common boundaries. A new approach to volume-based solid modeling has been developed which is based upon topologically consistent definitions of boundary, interior, and exterior of a region. From these definitions, FORTRAN union, intersection, and difference routines have been developed that allow involuted and deeply nested structures to be described as set-theoretic combinations of ellipsoids, elliptic cylinders, prisms, cones, and planes that accommodate shared boundaries. Line segments between adjacent intersections on a trajectory are assigned to the appropriate region by a novel sorting algorithm that generalizes upon Siddon's approach. Two 2-D graphic display tools are developed to help the debugging of a given geometric model. In this paper, the mathematical basis of our system is described, it is contrasted to other approaches, and examples are discussed
Miah, M M H; Faruque, M R I
2003-01-01
Neutron total cross sections and differential elastic scattering cross sections for the nuclides sup 9 sup 0 Zr, sup 2 sup 0 sup 8 Pb and sup 2 sup 0 sup 9 Bi were calculated using different global spherical optical potential (SOP) parameter sets at neutron energies from 0.5-25 MeV. Calculated cross sections for the corresponding nuclides were compared with their experimental data obtained by the EXFOR file to select the best fit parameter sets. It is found that the parameter sets of Ferer Rapaport for sup 9 sup 0 Zr and Bechetti and Greenless for sup 2 sup 0 sup 8 Pb and sup 2 sup 0 sup 9 Bi are the best fitted set to obtain the experimental data of total cross sections and angular distributions of these nuclides. (author)
Physical model of optical inhomogeneities of water
Shybanov, E. B.
2017-11-01
The paper is devoted to theoretical aspects of the light scattering of water that does not contain suspended particles. To be consistent with current physical point of view the water as far as any liquid is regarded as a complex unstable nonergodic media. It was proposed that at fixed time the water as a condensed medium had global inhomogeneities similar to linear and planar defects in a solid. Anticipated own global inhomogeneities of water have been approximated by the system randomly distributed spherical clusters filling the entire water bulk. An analytical expression for the single scattered light has been derived. The formula simultaneously describes both the high anisotropy of light scattering and the high degree of polarization which one close to those for molecular scattering. It is shown that at general angles there is a qualitative coincidence with the two-component Kopelevich's model for the light scattering by marine particles. On the contrary towards to forwards angles the spectral law becomes much more prominent i.e. it corresponds to results for model of optically soft particles.
Energy Technology Data Exchange (ETDEWEB)
Kneur, J.L
2006-06-15
This document is divided into 2 parts. The first part describes a particular re-summation technique of perturbative series that can give a non-perturbative results in some cases. We detail some applications in field theory and in condensed matter like the calculation of the effective temperature of Bose-Einstein condensates. The second part deals with the minimal supersymmetric standard model. We present an accurate calculation of the mass spectrum of supersymmetric particles, a calculation of the relic density of supersymmetric black matter, and the constraints that we can infer from models.
Modeling the behavior of optical elements in radiation environments
International Nuclear Information System (INIS)
Barlow, T.A.; Rhoades, C.E. Jr.; Merker, M.; Triplett, J.R.
1986-01-01
Calculation of heating caused by the deposition of x-rays in thin film optical elements is complicated because the mean free path of photo and autoionization electrons is comparable to the thin film thickness and thus the electron deposition cannot be considered local. This paper describes the modeling in a 1-D code of: (a) x-ray deposition and transport; (b) electron production, deposition and transport; and (c) thermal conduction and transport. X-ray transport is handled by multigroup discrete ordinates, electron transport is done by the method of characteristics, applied to the two term spherical harmonics expansion approximation (P1) to the Spencer-Lewis transport equation, and thermal transport is computed by a simple Richardson extrapolation of a backward Euler solution to the heat conduction equations. Results of a few test cases are presented. 8 refs., 26 figs., 2 tabs
Program description of FIBRAM: a radiation attenuation model for optical fibers
International Nuclear Information System (INIS)
Ingram, W.J.
1987-06-01
The report describes a fiber optics system model and its computer implementation. This implementation can calculate the bit error ratio (BER) versus time for optical fibers that have been exposed to gamma radiation. The program is designed so that the user may arbitrarily change any or all of the system input variables and produce separate output calculations. The primary output of the program is a table of the BER as a function of time. This table may be stored on magnetic media and later incorporated into computer graphics programs
Cluster model calculations of the solid state materials electron structure
International Nuclear Information System (INIS)
Pelikan, P.; Biskupic, S.; Banacky, P.; Zajac, A.; Svrcek, A.; Noga, J.
1997-01-01
Materials of the general composition ACuO 2 are the parent compounds of so called infinite layer superconductors. In the paper presented the electron structure of the compounds CaCuO 2 , SrCuO2, Ca 0.86 Sr 0.14 CuO2 and Ca 0.26 Sr 0.74 CuO 2 were calculated. The cluster models consisting of 192 atoms were computed using quasi relativistic version of semiempirical INDO method. The obtained results indicate the strong ionicity of Ca/Sr-O bonds and high covalency of Cu-bonds. The width of energy gap at the Fermi level increases as follows: Ca 0.26 Sr 0.74 CuO 2 0.86 Sr 0.14 CuO2 2 . This order correlates with the fact that materials of the composition Ca x Sr 1-x CuO 2 have have the high temperatures of the superconductive transition (up to 110 K). Materials partially substituted by Sr 2+ have also the higher density of states in the close vicinity at the Fermi level that ai the additional condition for the possibility of superconductive transition. It was calculated the strong influence of the vibration motions to the energy gap at the Fermi level. (authors). 1 tabs., 2 figs., 10 refs
Selection of models to calculate the LLW source term
International Nuclear Information System (INIS)
Sullivan, T.M.
1991-10-01
Performance assessment of a LLW disposal facility begins with an estimation of the rate at which radionuclides migrate out of the facility (i.e., the source term). The focus of this work is to develop a methodology for calculating the source term. In general, the source term is influenced by the radionuclide inventory, the wasteforms and containers used to dispose of the inventory, and the physical processes that lead to release from the facility (fluid flow, container degradation, wasteform leaching, and radionuclide transport). In turn, many of these physical processes are influenced by the design of the disposal facility (e.g., infiltration of water). The complexity of the problem and the absence of appropriate data prevent development of an entirely mechanistic representation of radionuclide release from a disposal facility. Typically, a number of assumptions, based on knowledge of the disposal system, are used to simplify the problem. This document provides a brief overview of disposal practices and reviews existing source term models as background for selecting appropriate models for estimating the source term. The selection rationale and the mathematical details of the models are presented. Finally, guidance is presented for combining the inventory data with appropriate mechanisms describing release from the disposal facility. 44 refs., 6 figs., 1 tab
HADES. A computer code for fast neutron cross section from the Optical Model
International Nuclear Information System (INIS)
Guasp, J.; Navarro, C.
1973-01-01
A FORTRAN V computer code for UNIVAC 1108/6 using a local Optical Model with spin-orbit interaction is described. The code calculates fast neutron cross sections, angular distribution, and Legendre moments for heavy and intermediate spherical nuclei. It allows for the possibility of automatic variation of potential parameters for experimental data fitting. (Author) 55 refs
Calculational models of close-spaced thermionic converters
International Nuclear Information System (INIS)
McVey, J.B.
1983-01-01
Two new calculational models have been developed in conjunction with the SAVTEC experimental program. These models have been used to analyze data from experimental close-spaced converters, providing values for spacing, electrode work functions, and converter efficiency. They have also been used to make performance predictions for such converters over a wide range of conditions. Both models are intended for use in the collisionless (Knudsen) regime. They differ from each other in that the simpler one uses a Langmuir-type formulation which only considers electrons emitted from the emitter. This approach is implemented in the LVD (Langmuir Vacuum Diode) computer program, which has the virtue of being both simple and fast. The more complex model also includes both Saha-Langmuir emission of positive cesium ions from the emitter and collector back emission. Computer implementation is by the KMD1 (Knudsen Mode Diode) program. The KMD1 model derives the particle distribution functions from the Vlasov equation. From these the particle densities are found for various interelectrode motive shapes. Substituting the particle densities into Poisson's equation gives a second order differential equation for potential. This equation can be integrated once analytically. The second integration, which gives the interelectrode motive, is performed numerically by the KMD1 program. This is complicated by the fact that the integrand is often singular at one end point of the integration interval. The program performs a transformation on the integrand to make it finite over the entire interval. Once the motive has been computed, the output voltage, current density, power density, and efficiency are found. The program is presently unable to operate when the ion richness ratio β is between about .8 and 1.0, due to the occurrence of oscillatory motives
International Nuclear Information System (INIS)
Mueller, R.G.
1987-06-01
Due to the strong influence of vapour bubbles on the nuclear chain reaction, an exact calculation of neutron physics and thermal hydraulics in light water reactors requires consideration of subcooled boiling. To this purpose, in the present study a dynamic model is derived from the time-dependent conservation equations. It contains new methods for the time-dependent determination of evaporation and condensation heat flow and for the heat transfer coefficient in subcooled boiling. Furthermore, it enables the complete two-phase flow region to be treated in a consistent manner. The calculation model was verified using measured data of experiments covering a wide range of thermodynamic boundary conditions. In all cases very good agreement was reached. The results from the coupling of the new calculation model with a neutron kinetics program proved its suitability for the steady-state and transient calculation of reactor cores. (orig.) [de
Ab-initio calculations of structural, electronic, and optical properties of Zn3(VO4)2
Ahmed, Nisar; Mukhtar, S.; Gao, Wei; Zafar Ilyas, Syed
2018-03-01
The structural, electronic, and optical properties of Zn3(VO4)2 are investigated using full potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT). Various approaches are adopted to treat the exchange and correlation potential energy such as generalized gradient approximation (GGA), GGA+U, and the Tran–Blaha modified Becke–Johnson (TB-mBJ) potential. The calculated band gap of 3.424 eV by TB-mBJ is found to be close to the experimental result (3.3 eV). The optical anisotropy is analyzed through optical constants, such as dielectric function and absorption coefficient along parallel and perpendicular crystal orientations. The absorption coefficient reveals high absorption (1.5× {10}6 {cm}}-1) of photons in the ultraviolet region.
Constitutive Modeling of the Mechanical Properties of Optical Fibers
Moeti, L.; Moghazy, S.; Veazie, D.; Cuddihy, E.
1998-01-01
Micromechanical modeling of the composite mechanical properties of optical fibers was conducted. Good agreement was obtained between the values of Young's modulus obtained by micromechanics modeling and those determined experimentally for a single mode optical fiber where the wave guide and the jacket are physically coupled. The modeling was also attempted on a polarization-maintaining optical fiber (PANDA) where the wave guide and the jacket are physically decoupled, and found not to applicable since the modeling required perfect bonding at the interface. The modeling utilized constituent physical properties such as the Young's modulus, Poisson's ratio, and shear modulus to establish bounds on the macroscopic behavior of the fiber.
Murray, Eamonn; Fahy, Stephen
2014-03-01
Using first principles electronic structure methods, we calculate the induced force on the Eg (zone centre transverse optical) phonon mode in bismuth immediately after absorption of polarized light. When radiation with polarization perpendicular to the c-axis is absorbed in bismuth, the distribution of excited electrons and holes breaks the three-fold rotational symmetry and leads to a net force on the atoms in the direction perpendicular to the axis. We calculate the initial excited electronic distribution as a function of photon energy and polarization and find the resulting transverse and longitudinal forces experienced by the atoms. Using the measured, temperature-dependent rate of decay of the transverse force[2], we predict the approximate amplitude of induced atomic motion in the Eg mode as a function of temperature and optical fluence. This work is supported by Science Foundation Ireland and a Marie Curie International Incoming Fellowship.
Calculating ε'/ε in the standard model
International Nuclear Information System (INIS)
Sharpe, S.R.
1988-01-01
The ingredients needed in order to calculate ε' and ε are described. Particular emphasis is given to the non-perturbative calculations of matrix elements by lattice methods. The status of the electromagnetic contribution to ε' is reviewed. 15 refs
Energy Technology Data Exchange (ETDEWEB)
Smith, D.L.; Guenther, P.T.
1983-11-01
We suggest a procedure for estimating uncertainties in neutron cross sections calculated with a nuclear model descriptive of a specific mass region. It applies standard error propagation techniques, using a model-parameter covariance matrix. Generally, available codes do not generate covariance information in conjunction with their fitting algorithms. Therefore, we resort to estimating a relative covariance matrix a posteriori from a statistical examination of the scatter of elemental parameter values about the regional representation. We numerically demonstrate our method by considering an optical-statistical model analysis of a body of total and elastic scattering data for the light fission-fragment mass region. In this example, strong uncertainty correlations emerge and they conspire to reduce estimated errors to some 50% of those obtained from a naive uncorrelated summation in quadrature. 37 references.
International Nuclear Information System (INIS)
Smith, D.L.; Guenther, P.T.
1983-11-01
We suggest a procedure for estimating uncertainties in neutron cross sections calculated with a nuclear model descriptive of a specific mass region. It applies standard error propagation techniques, using a model-parameter covariance matrix. Generally, available codes do not generate covariance information in conjunction with their fitting algorithms. Therefore, we resort to estimating a relative covariance matrix a posteriori from a statistical examination of the scatter of elemental parameter values about the regional representation. We numerically demonstrate our method by considering an optical-statistical model analysis of a body of total and elastic scattering data for the light fission-fragment mass region. In this example, strong uncertainty correlations emerge and they conspire to reduce estimated errors to some 50% of those obtained from a naive uncorrelated summation in quadrature. 37 references
Measurement and modelization of silica opal optical properties
Avoine , Amaury; Ngoc Hong , Phan; Frederich , Hugo; Aregahegn , Kifle; Bénalloul , Paul; Coolen , Laurent; Schwob , Catherine; Thu Nga , Pham; Gallas , Bruno; Maître , Agnès
2014-01-01
International audience; We present the synthesis process and optical characterization of artificial silica opals. The specular reflection spectra are analyzed and compared to band structure calculations and finite difference time domain (FDTD) simulations. The silica optical index is a key parameter to correctly describe an opal and is usually not known and treated as a free parameter. Here we propose a method to infer the silica index, as well as the silica spheres diameter, from the reflect...
Comparative analysis of calculation models of railway subgrade
Directory of Open Access Journals (Sweden)
I.O. Sviatko
2013-08-01
Full Text Available Purpose. In transport engineering structures design, the primary task is to determine the parameters of foundation soil and nuances of its work under loads. It is very important to determine the parameters of shear resistance and the parameters, determining the development of deep deformations in foundation soils, while calculating the soil subgrade - upper track structure interaction. Search for generalized numerical modeling methods of embankment foundation soil work that include not only the analysis of the foundation stress state but also of its deformed one. Methodology. The analysis of existing modern and classical methods of numerical simulation of soil samples under static load was made. Findings. According to traditional methods of analysis of ground masses work, limitation and the qualitative estimation of subgrade deformations is possible only indirectly, through the estimation of stress and comparison of received values with the boundary ones. Originality. A new computational model was proposed in which it will be applied not only classical approach analysis of the soil subgrade stress state, but deformed state will be also taken into account. Practical value. The analysis showed that for accurate analysis of ground masses work it is necessary to develop a generalized methodology for analyzing of the rolling stock - railway subgrade interaction, which will use not only the classical approach of analyzing the soil subgrade stress state, but also take into account its deformed one.
Liu, Kaizhan; Ye, Yunming; Li, Xutao; Li, Yan
2018-04-01
In recent years Convolutional Neural Network (CNN) has been widely used in computer vision field and makes great progress in lots of contents like object detection and classification. Even so, combining Convolutional Neural Network, which means making multiple CNN frameworks working synchronously and sharing their output information, could figure out useful message that each of them cannot provide singly. Here we introduce a method to real-time estimate speed of object by combining two CNN: YOLOv2 and FlowNet. In every frame, YOLOv2 provides object size; object location and object type while FlowNet providing the optical flow of whole image. On one hand, object size and object location help to select out the object part of optical flow image thus calculating out the average optical flow of every object. On the other hand, object type and object size help to figure out the relationship between optical flow and true speed by means of optics theory and priori knowledge. Therefore, with these two key information, speed of object can be estimated. This method manages to estimate multiple objects at real-time speed by only using a normal camera even in moving status, whose error is acceptable in most application fields like manless driving or robot vision.
Electronic and optical properties of 2D graphene-like ZnS: DFT calculations
International Nuclear Information System (INIS)
Lashgari, Hamed; Boochani, Arash; Shekaari, Ashkan; Solaymani, Shahram; Sartipi, Elmira; Mendi, Rohollah Taghavi
2016-01-01
Graphical abstract: - Highlights: • DFT has been applied to investigate the optical properties of 2D-ZnS and 3D-ZnS. • The electronic and the optical properties of 3D-ZnS and 2D-ZnS are compared. • At visible range of energies the transparency of 2D-ZnS is more than the 3D. - Abstract: Density-functional theory has been applied to investigate the electronic and optical properties of graphene-like two-dimensional ZnS in the (0001) direction of its Wurtzite phase. A comparison with 3D-ZnS has been carried out within the PBE- and EV-GGA. The electronic properties of 2D- and 3D-ZnS have been derived by the examination of the electronic band structures and density of states. The optical properties have been determined through the study of the dielectric function, reflectivity, electron loss function, refractive and extinction indices, the absorption index and optical conductivity. It is found that the transparency of 2D-ZnS is greater than the 3D over the visible range. A thorough study of the dielectric function has been performed so that the peaks and the transition bands have been specified. The electron loss function demonstrates that the plasmonic frequency for 2D- and 3D-ZnS is accrued at 11.22 and 19.93 eV within the PBE-GGA, respectively.
Concentrator optical characterization using computer mathematical modelling and point source testing
Dennison, E. W.; John, S. L.; Trentelman, G. F.
1984-01-01
The optical characteristics of a paraboloidal solar concentrator are analyzed using the intercept factor curve (a format for image data) to describe the results of a mathematical model and to represent reduced data from experimental testing. This procedure makes it possible not only to test an assembled concentrator, but also to evaluate single optical panels or to conduct non-solar tests of an assembled concentrator. The use of three-dimensional ray tracing computer programs to calculate the mathematical model is described. These ray tracing programs can include any type of optical configuration from simple paraboloids to array of spherical facets and can be adapted to microcomputers or larger computers, which can graphically display real-time comparison of calculated and measured data.
Accurate Holdup Calculations with Predictive Modeling & Data Integration
Energy Technology Data Exchange (ETDEWEB)
Azmy, Yousry [North Carolina State Univ., Raleigh, NC (United States). Dept. of Nuclear Engineering; Cacuci, Dan [Univ. of South Carolina, Columbia, SC (United States). Dept. of Mechanical Engineering
2017-04-03
In facilities that process special nuclear material (SNM) it is important to account accurately for the fissile material that enters and leaves the plant. Although there are many stages and processes through which materials must be traced and measured, the focus of this project is material that is “held-up” in equipment, pipes, and ducts during normal operation and that can accumulate over time into significant quantities. Accurately estimating the holdup is essential for proper SNM accounting (vis-à-vis nuclear non-proliferation), criticality and radiation safety, waste management, and efficient plant operation. Usually it is not possible to directly measure the holdup quantity and location, so these must be inferred from measured radiation fields, primarily gamma and less frequently neutrons. Current methods to quantify holdup, i.e. Generalized Geometry Holdup (GGH), primarily rely on simple source configurations and crude radiation transport models aided by ad hoc correction factors. This project seeks an alternate method of performing measurement-based holdup calculations using a predictive model that employs state-of-the-art radiation transport codes capable of accurately simulating such situations. Inverse and data assimilation methods use the forward transport model to search for a source configuration that best matches the measured data and simultaneously provide an estimate of the level of confidence in the correctness of such configuration. In this work the holdup problem is re-interpreted as an inverse problem that is under-determined, hence may permit multiple solutions. A probabilistic approach is applied to solving the resulting inverse problem. This approach rates possible solutions according to their plausibility given the measurements and initial information. This is accomplished through the use of Bayes’ Theorem that resolves the issue of multiple solutions by giving an estimate of the probability of observing each possible solution. To use
Glass operational file. Operational models and integration calculations
International Nuclear Information System (INIS)
Ribet, I.
2004-01-01
This document presents the operational choices of dominating phenomena, hypotheses, equations and numerical data of the parameters used in the two operational models elaborated for the calculation of the glass source terms with respect to the waste packages considered: existing packages (R7T7, AVM and CEA glasses) and future ones (UOX2, UOX3, UMo, others). The overall operational choices are justified and demonstrated and a critical analysis of the approach is systematically proposed. The use of the operational model (OPM) V 0 → V r , realistic, conservative and robust, is recommended for glasses with a high thermal and radioactive load, which represent the main part of the vitrified wastes. The OPM V 0 S, much more overestimating but faster to parameterize, can be used for the long-term behaviour forecasting of glasses with low thermal and radioactive load, considering today's lack of knowledge for the parameterization of a V 0 → V r type OPM. Efficiency estimations have been made for R7T7 glasses (OPM V 0 → V r ) and AVM glasses (OPM V 0 S), which correspond to more than 99.9% of the vitrified waste packages activity. The very contrasted results obtained, illustrate the importance of the choice of operational models: in conditions representative of a geologic disposal, the estimation of R7T7-type package lifetime exceeds several hundred thousands years. Even if the estimated lifetime of AVM packages is much shorter (because of the overestimating character of the OPM V 0 S), the release potential radiotoxicity is of the same order as the one of R7T7 packages. (J.S.)
Measuring optical properties of a blood vessel model using optical coherence tomography
Levitz, David; Hinds, Monica T.; Tran, Noi; Vartanian, Keri; Hanson, Stephen R.; Jacques, Steven L.
2006-02-01
In this paper we develop the concept of a tissue-engineered optical phantom that uses engineered tissue as a phantom for calibration and optimization of biomedical optics instrumentation. With this method, the effects of biological processes on measured signals can be studied in a well controlled manner. To demonstrate this concept, we attempted to investigate how the cellular remodeling of a collagen matrix affected the optical properties extracted from optical coherence tomography (OCT) images of the samples. Tissue-engineered optical phantoms of the vascular system were created by seeding smooth muscle cells in a collagen matrix. Four different optical properties were evaluated by fitting the OCT signal to 2 different models: the sample reflectivity ρ and attenuation parameter μ were extracted from the single scattering model, and the scattering coefficient μ s and root-mean-square scattering angle θ rms were extracted from the extended Huygens-Fresnel model. We found that while contraction of the smooth muscle cells was clearly evident macroscopically, on the microscopic scale very few cells were actually embedded in the collagen. Consequently, no significant difference between the cellular and acellular samples in either set of measured optical properties was observed. We believe that further optimization of our tissue-engineering methods is needed in order to make the histology and biochemistry of the cellular samples sufficiently different from the acellular samples on the microscopic level. Once these methods are optimized, we can better verify whether the optical properties of the cellular and acellular collagen samples differ.
Optical Fibres in the Modeling of Translucent Concrete Blocks
M.N.V.Padma Bhushan, D.Johnson, Md. Afzal Basheer Pasha And Ms. K. Prasanthi
2013-01-01
Translucent concrete is a concrete based material with light-transmissive properties, obtained due to embedded light optical elements like Optical fibers in it. Light is conducted through the stone from one end to the other. This results into a certain light pattern on the other surface, depending on the fibre structure. Optical fibres transmit light so effectively that there is virtually no loss of light conducted through the fibres. Our paper deals with the modelling of such translucent or ...
Groundwater flow modelling under ice sheet conditions. Scoping calculations
Energy Technology Data Exchange (ETDEWEB)
Jaquet, O.; Namar, R. (In2Earth Modelling Ltd (Switzerland)); Jansson, P. (Dept. of Physical Geography and Quaternary Geology, Stockholm Univ., Stockholm (Sweden))
2010-10-15
The potential impact of long-term climate changes has to be evaluated with respect to repository performance and safety. In particular, glacial periods of advancing and retreating ice sheet and prolonged permafrost conditions are likely to occur over the repository site. The growth and decay of ice sheets and the associated distribution of permafrost will affect the groundwater flow field and its composition. As large changes may take place, the understanding of groundwater flow patterns in connection to glaciations is an important issue for the geological disposal at long term. During a glacial period, the performance of the repository could be weakened by some of the following conditions and associated processes: - Maximum pressure at repository depth (canister failure). - Maximum permafrost depth (canister failure, buffer function). - Concentration of groundwater oxygen (canister corrosion). - Groundwater salinity (buffer stability). - Glacially induced earthquakes (canister failure). Therefore, the GAP project aims at understanding key hydrogeological issues as well as answering specific questions: - Regional groundwater flow system under ice sheet conditions. - Flow and infiltration conditions at the ice sheet bed. - Penetration depth of glacial meltwater into the bedrock. - Water chemical composition at repository depth in presence of glacial effects. - Role of the taliks, located in front of the ice sheet, likely to act as potential discharge zones of deep groundwater flow. - Influence of permafrost distribution on the groundwater flow system in relation to build-up and thawing periods. - Consequences of glacially induced earthquakes on the groundwater flow system. Some answers will be provided by the field data and investigations; the integration of the information and the dynamic characterisation of the key processes will be obtained using numerical modelling. Since most of the data are not yet available, some scoping calculations are performed using the
Groundwater flow modelling under ice sheet conditions. Scoping calculations
International Nuclear Information System (INIS)
Jaquet, O.; Namar, R.; Jansson, P.
2010-10-01
The potential impact of long-term climate changes has to be evaluated with respect to repository performance and safety. In particular, glacial periods of advancing and retreating ice sheet and prolonged permafrost conditions are likely to occur over the repository site. The growth and decay of ice sheets and the associated distribution of permafrost will affect the groundwater flow field and its composition. As large changes may take place, the understanding of groundwater flow patterns in connection to glaciations is an important issue for the geological disposal at long term. During a glacial period, the performance of the repository could be weakened by some of the following conditions and associated processes: - Maximum pressure at repository depth (canister failure). - Maximum permafrost depth (canister failure, buffer function). - Concentration of groundwater oxygen (canister corrosion). - Groundwater salinity (buffer stability). - Glacially induced earthquakes (canister failure). Therefore, the GAP project aims at understanding key hydrogeological issues as well as answering specific questions: - Regional groundwater flow system under ice sheet conditions. - Flow and infiltration conditions at the ice sheet bed. - Penetration depth of glacial meltwater into the bedrock. - Water chemical composition at repository depth in presence of glacial effects. - Role of the taliks, located in front of the ice sheet, likely to act as potential discharge zones of deep groundwater flow. - Influence of permafrost distribution on the groundwater flow system in relation to build-up and thawing periods. - Consequences of glacially induced earthquakes on the groundwater flow system. Some answers will be provided by the field data and investigations; the integration of the information and the dynamic characterisation of the key processes will be obtained using numerical modelling. Since most of the data are not yet available, some scoping calculations are performed using the
Optical-potential model for electron-atom scattering
International Nuclear Information System (INIS)
Callaway, J.; Oza, D.H.
1985-01-01
It is proposed that the addition of a matrix optical potential to a close-coupling calculation should lead to improved results in studies of electron-atom scattering. This procedure is described with use of a pseudostate expansion to evaluate the optical potential. The integro-differential equations are solved by a linear-algebraic method. As a test case, applications are made to electron-hydrogen scattering, and the results are compared with those obtained by other calculational procedures, and with experiment
Ren, Dahua; Xiang, Baoyan; Hu, Cheng; Qian, Kai; Cheng, Xinlu
2018-04-01
Hydrogen can be trapped in the bulk materials in four forms: interstitial molecular H2, interstitial atom H, O‑H+(2Si=O–H)+, Si‑H‑( {{4O}}\\bar \\equiv {{Si&x2212H}})‑ to affect the electronic and optical properties of amorphous silica. Therefore, the electronic and optical properties of defect-free and hydrogen defects in amorphous silica were performed within the scheme of density functional theory. Initially, the negative charged states hydrogen defects introduced new defect level between the valence band top and conduction band bottom. However, the neutral and positive charged state hydrogen defects made both the valence band and conduction band transfer to the lower energy. Subsequently, the optical properties such as absorption spectra, conductivity and loss functions were analyzed. It is indicated that the negative hydrogen defects caused the absorption peak ranging from 0 to 2.0 eV while the positive states produced absorption peaks at lower energy and two strong absorption peaks arose at 6.9 and 9.0 eV. However, the neutral hydrogen defects just improved the intensity of absorption spectrum. This may give insights into understanding the mechanism of laser-induced damage for optical materials. Project supported by the Science and Technology of Hubei Provincial Department of Education (No. B2017098).
Models for calculation of dissociation energies of homonuclear diatomic molecules
International Nuclear Information System (INIS)
Brewer, L.; Winn, J.S.
1979-08-01
The variation of known dissociation energies of the transition metal diatomics across the Periodic Table is rather irregular like the bulk sublimation enthalpy, suggesting that the valence-bond model for bulk metallic systems might be applicable to the gaseous diatomic molecules and the various intermediate clusters. Available dissociation energies were converted to valence-state bonding energies considering various degrees of promotion to optimize the bonding. The degree of promotion of electrons to increase the number of bonding electrons is smaller than for the bulk, but the trends in bonding energy parallel the behavior found for the bulk metals. Thus using the established trends in bonding energies for the bulk elements, it was possible to calculate all unknown dissociation energies to provide a complete table of dissociation energies for all M 2 molecules from H 2 to Lr 2 . For solids such as Mg, Al, Si and most of the transition metals, large promotion energies are offset by strong bonding between the valence state atoms. The main question is whether bonding in the diatomics is adequate to sustain extensive promotion. The most extreme example for which a considerable difference would be expected between the bulk and the diatomics would be that of the Group IIA and IIB metals. The first section of this paper which deals with the alkaline earths Mg and Ca demonstrates a significant influence of the excited valence state even for these elements. The next section then expands the treatment to transition metals
Modelling of bio-optical parameters of open ocean waters
Directory of Open Access Journals (Sweden)
Vadim N. Pelevin
2001-12-01
Full Text Available An original method for estimating the concentration of chlorophyll pigments, absorption of yellow substance and absorption of suspended matter without pigments and yellow substance in detritus using spectral diffuse attenuation coefficient for downwelling irradiance and irradiance reflectance data has been applied to sea waters of different types in the open ocean (case 1. Using the effective numerical single parameter classification with the water type optical index m as a parameter over the whole range of the open ocean waters, the calculations have been carried out and the light absorption spectra of sea waters tabulated. These spectra are used to optimize the absorption models and thus to estimate the concentrations of the main admixtures in sea water. The value of m can be determined from direct measurements of the downward irradiance attenuation coefficient at 500 nm or calculated from remote sensing data using the regressions given in the article. The sea water composition can then be readily estimated from the tables given for any open ocean area if that one parameter m characterizing the basin is known.
The Maxwell-Lorentz Model for optical Pulses
DEFF Research Database (Denmark)
Sørensen, Mads Peter; Brio, Moysey
2007-01-01
Dynamics of optical pulses, especially of ultra short femtosecond pulses, are of great technological and theoretical interest. The dynamics of optical pulses is usually studied using the nonlinear Schrodinger (NLS) equation model. While such approach works surprisingly well for description of pulse...
Modelling of Extrinsic Fiber Optic Sagnac Ultrasound Interferometer ...
African Journals Online (AJOL)
Ultrasonic waves are used extensively in nondestructive testing both for characterization of material properties, in this paper, we describe a fiber optic sensor suitable for detection of ultrasonic waves. This sensor is based on an extrinsic fiber optic sagnac interferometer. The proposed sensor model can act as a conventional ...
Vega, David; Kiekens, Kelli C.; Syson, Nikolas C.; Romano, Gabriella; Baker, Tressa; Barton, Jennifer K.
2018-02-01
While Optical Coherence Microscopy (OCM), Multiphoton Microscopy (MPM), and narrowband imaging are powerful imaging techniques that can be used to detect cancer, each imaging technique has limitations when used by itself. Combining them into an endoscope to work in synergy can help achieve high sensitivity and specificity for diagnosis at the point of care. Such complex endoscopes have an elevated risk of failure, and performing proper modelling ensures functionality and minimizes risk. We present full 2D and 3D models of a multimodality optical micro-endoscope to provide real-time detection of carcinomas, called a salpingoscope. The models evaluate the endoscope illumination and light collection capabilities of various modalities. The design features two optical paths with different numerical apertures (NA) through a single lens system with a scanning optical fiber. The dual path is achieved using dichroic coatings embedded in a triplet. A high NA optical path is designed to perform OCM and MPM while a low NA optical path is designed for the visible spectrum to navigate the endoscope to areas of interest and narrowband imaging. Different tests such as the reflectance profile of homogeneous epithelial tissue were performed to adjust the models properly. Light collection models for the different modalities were created and tested for efficiency. While it is challenging to evaluate the efficiency of multimodality endoscopes, the models ensure that the system is design for the expected light collection levels to provide detectable signal to work for the intended imaging.
Energy Technology Data Exchange (ETDEWEB)
Chen, Hanning; McMahon, J. M.; Ratner, Mark A.; Schatz, George C.
2010-09-02
A new multiscale computational methodology was developed to effectively incorporate the scattered electric field of a plasmonic nanoparticle into a quantum mechanical (QM) optical property calculation for a nearby dye molecule. For a given location of the dye molecule with respect to the nanoparticle, a frequency-dependent scattering response function was first determined by the classical electrodynamics (ED) finite-difference time-domain (FDTD) approach. Subsequently, the time-dependent scattered electric field at the dye molecule was calculated using the FDTD scattering response function through a multidimensional Fourier transform to reflect the effect of polarization of the nanoparticle on the local field at the molecule. Finally, a real-time time-dependent density function theory (RT-TDDFT) approach was employed to obtain a desired optical property (such as absorption cross section) of the dye molecule in the presence of the nanoparticle’s scattered electric field. Our hybrid QM/ED methodology was demonstrated by investigating the absorption spectrum of the N3 dye molecule and the Raman spectrum of pyridine, both of which were shown to be significantly enhanced by a 20 nm diameter silver sphere. In contrast to traditional quantum mechanical optical calculations in which the field at the molecule is entirely determined by intensity and polarization direction of the incident light, in this work we show that the light propagation direction as well as polarization and intensity are important to nanoparticle-bound dye molecule response. At no additional computation cost compared to conventional ED and QM calculations, this method provides a reliable way to couple the response of the dye molecule’s individual electrons to the collective dielectric response of the nanoparticle.
International Nuclear Information System (INIS)
Ivascu, M.
1983-10-01
Computer codes incorporating advanced nuclear models (optical, statistical and pre-equilibrium decay nuclear reaction models) were used to calculate neutron cross sections needed for fusion reactor technology. The elastic and inelastic scattering (n,2n), (n,p), (n,n'p), (n,d) and (n,γ) cross sections for stable molybdenum isotopes Mosup(92,94,95,96,97,98,100) and incident neutron energy from about 100 keV or a threshold to 20 MeV were calculated using the consistent set of input parameters. The hydrogen production cross section which determined the radiation damage in structural materials of fusion reactors can be simply deduced from the presented results. The more elaborated microscopic models of nuclear level density are required for high accuracy calculations
Analytical models of optical response in one-dimensional semiconductors
International Nuclear Information System (INIS)
Pedersen, Thomas Garm
2015-01-01
The quantum mechanical description of the optical properties of crystalline materials typically requires extensive numerical computation. Including excitonic and non-perturbative field effects adds to the complexity. In one dimension, however, the analysis simplifies and optical spectra can be computed exactly. In this paper, we apply the Wannier exciton formalism to derive analytical expressions for the optical response in four cases of increasing complexity. Thus, we start from free carriers and, in turn, switch on electrostatic fields and electron–hole attraction and, finally, analyze the combined influence of these effects. In addition, the optical response of impurity-localized excitons is discussed. - Highlights: • Optical response of one-dimensional semiconductors including excitons. • Analytical model of excitonic Franz–Keldysh effect. • Computation of optical response of impurity-localized excitons
Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.; Ramana, Chintalapalle V.
2016-12-01
In this work, we investigated theoretically the role of oxygen vacancies on the electronic and optical properties of cubic, γ-monoclinic, and tetragonal phases of tungsten oxide (WO3) thin films. Following the examination of structural properties and stability of the bulk tungsten oxide polymorphs, we analyzed band structures and optical properties, applying density functional theory (DFT) and GW (Green's (G) function approximation with screened Coulomb interaction (W)) methods. Careful benchmarking of calculated band gaps demonstrated the importance of using a range-separated functional, where results for the pristine room temperature γ-monoclinic structure indicated agreement with experiment. Further, modulation of the band gap for WO3 structures with oxygen vacancies was quantified. Dielectric functions for cubic WO3, calculated at both the single-particle, essentially time-dependent DFT, as well as many-body GW-Bethe-Salpeter equation levels, indicated agreement with experimental data for pristine WO3. Interestingly, we found that introducing oxygen vacancies caused appearance of lower energy absorptions. A smaller refractive index was indicated in the defective WO3 structures. These predictions could lead to further experiments aimed at tuning the optical properties of WO3 by introducing oxygen vacancies, particularly for the lower energy spectral region.
The COST model for calculation of forest operations costs
Ackerman, P.; Belbo, H.; Eliasson, L.; Jong, de J.J.; Lazdins, A.; Lyons, J.
2014-01-01
Since the late nineteenth century when high-cost equipment was introduced into forestry there has been a need to calculate the cost of this equipment in more detail with respect to, for example, cost of ownership, cost per hour of production, and cost per production unit. Machine cost calculations
Impedance Calculations of Non-Axisymmetric Transitions Using the Optical Approximation
International Nuclear Information System (INIS)
Bane, K.L.F.; Stupakov, G.; Zagorodov, I.
2007-01-01
In a companion report, we have derived a method for finding the impedance at high frequencies of vacuum chamber transitions that are short compared to the catch-up distance, in a frequency regime that--in analogy to geometric optics for light--we call the optical regime. In this report we apply the method to various non-axisymmetric geometries such as irises/short collimators in a beam pipe, step-in transitions, step-out transitions, and more complicated transitions of practical importance. Most of our results are analytical, with a few given in terms of a simple one dimensional integral. Our results are compared to wakefield simulations with the time-domain, finite-difference program ECHO, and excellent agreement is found
Impedance calculations of non-axisymmetric transitions using the optical approximation
Energy Technology Data Exchange (ETDEWEB)
Bane, K.L.F.; Stupakov, G. [Stanford Linear Accelerator Center, Menlo Park, CA (United States); Zagorodnov, I. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
2007-02-15
In a companion report, we have derived a method for finding the impedance at high frequencies of vacuum chamber transitions that are short compared to the catch-up distance, in a frequency regime that---in analogy to geometric optics for light---we call the optical regime. In this report we apply the method to various non-axisymmetric geometries such as irises/short collimators in a beam pipe, step-in transitions, step-out transitions, and more complicated transitions of practical importance. Most of our results are analytical, with a few given in terms of a simple one dimensional integral. Our results are compared to wakefield simulations with the time-domain, finite-difference program ECHO, and excellent agreement is found. (orig.)
Quantification of smoothing requirement for 3D optic flow calculation of volumetric images
DEFF Research Database (Denmark)
Bab-Hadiashar, Alireza; Tennakoon, Ruwan B.; de Bruijne, Marleen
2013-01-01
Complexities of dynamic volumetric imaging challenge the available computer vision techniques on a number of different fronts. This paper examines the relationship between the estimation accuracy and required amount of smoothness for a general solution from a robust statistics perspective. We show...... that a (surprisingly) small amount of local smoothing is required to satisfy both the necessary and sufficient conditions for accurate optic flow estimation. This notion is called 'just enough' smoothing, and its proper implementation has a profound effect on the preservation of local information in processing 3D...... dynamic scans. To demonstrate the effect of 'just enough' smoothing, a robust 3D optic flow method with quantized local smoothing is presented, and the effect of local smoothing on the accuracy of motion estimation in dynamic lung CT images is examined using both synthetic and real image sequences...
Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations
Energy Technology Data Exchange (ETDEWEB)
Webster, R., E-mail: ross.webster07@imperial.ac.uk; Harrison, N. M. [Thomas Young Centre, Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Bernasconi, L. [Rutherford Appleton Laboratory, STFC, Harwell Oxford, Didcot OX11 0QX (United Kingdom)
2015-06-07
We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features of the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green’s function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional c{sub HF} and show that there exists one value of c{sub HF} (∼0.32) that reproduces at least semi-quantitatively the optical gap of this material.
Rational calculation accuracy in acousto-optical matrix-vector processor
Oparin, V. V.; Tigin, Dmitry V.
1994-01-01
The high speed of parallel computations for a comparatively small-size processor and acceptable power consumption makes the usage of acousto-optic matrix-vector multiplier (AOMVM) attractive for processing of large amounts of information in real time. The limited accuracy of computations is an essential disadvantage of such a processor. The reduced accuracy requirements allow for considerable simplification of the AOMVM architecture and the reduction of the demands on its components.
The calculation of average error probability in a digital fibre optical communication system
Rugemalira, R. A. M.
1980-03-01
This paper deals with the problem of determining the average error probability in a digital fibre optical communication system, in the presence of message dependent inhomogeneous non-stationary shot noise, additive Gaussian noise and intersymbol interference. A zero-forcing equalization receiver filter is considered. Three techniques for error rate evaluation are compared. The Chernoff bound and the Gram-Charlier series expansion methods are compared to the characteristic function technique. The latter predicts a higher receiver sensitivity
Directory of Open Access Journals (Sweden)
Samin Poudel
2017-11-01
Full Text Available The refractive index (RI is an important parameter in describing the radiative impacts of aerosols. It is important to constrain the RI of aerosol components, since there is still significant uncertainty regarding the RI of biomass burning aerosols. Experimentally measured extinction cross-sections, scattering cross-sections, and single scattering albedos for white pine biomass burning (BB aerosols under two different burning and sampling conditions were modeled using T-matrix theory. The refractive indices were extracted from these calculations. Experimental measurements were conducted using a cavity ring-down spectrometer to measure the extinction, and a nephelometer to measure the scattering of size-selected aerosols. BB aerosols were obtained by burning white pine using (1 an open fire in a burn drum, where the aerosols were collected in distilled water using an impinger, and then re-aerosolized after several days, and (2 a tube furnace to directly introduce the BB aerosols into an indoor smog chamber, where BB aerosols were then sampled directly. In both cases, filter samples were also collected, and electron microscopy images were used to obtain the morphology and size information used in the T-matrix calculations. The effective radius of the particles collected on filter media from the open fire was approximately 245 nm, whereas it was approximately 76 nm for particles from the tube furnace burns. For samples collected in distilled water, the real part of the RI increased with increasing particle size, and the imaginary part decreased. The imaginary part of the RI was also significantly larger than the reported values for fresh BB aerosol samples. For the particles generated in the tube furnace, the real part of the RI decreased with particle size, and the imaginary part was much smaller and nearly constant. The RI is sensitive to particle size and sampling method, but there was no wavelength dependence over the range considered (500
Theoretical model for a background noise limited laser-excited optical filter for doubled Nd lasers
Shay, Thomas M.; Garcia, Daniel F.
1990-01-01
A simple theoretical model for the calculation of the dependence of filter quantum efficiency versus laser pump power in an atomic Rb vapor laser-excited optical filter is reported. Calculations for Rb filter transitions that can be used to detect the practical and important frequency-doubled Nd lasers are presented. The results of these calculations show the filter's quantum efficiency versus the laser pump power. The required laser pump powers required range from 2.4 to 60 mW/sq cm of filter aperture.
Improvements in the model of neutron calculations for research reactors
International Nuclear Information System (INIS)
Calzetta, Osvaldo; Leszczynski, Francisco
1987-01-01
Within the research program in the field of neutron physics calculations being carried out in the Nuclear Engineering Division at the Centro Atomico Bariloche, the errors which due to some typical approximations appear in the final results are researched. For research MTR type reactors, two approximations, for high and low enrichment are investigated: the treatment of the geometry and the method of few-group cell cross-sections calculation, particularly in the resonance energy region. Commonly, the cell constants used for the entire reactor calculation are obtained making an homogenization of the full fuel elements, by one-dimensional calculations. An improvement is made that explicitly includes the fuel element frames in the core calculation geometry. Besides, a detailed treatment-in energy and space- is used to find the resonance few-group cross sections, and a comparison of the results with detailed and approximated calculations is made. The least number and the best mesh of energy groups needed for cell calculations is fixed too. (Author) [es
Li, Changping; Park, Kihong; Alouini, Mohamed-Slim
2015-01-01
In this letter, we propose a fast numerical solution for the steady state radiative transfer equation based on the approach in [1] in order to calculate the optical path loss of light propagation suffering from attenuation due to the absorption and scattering in various water types. We apply an optimal non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. Finally, we extend the resulting radiance in 2-dimensional to 3-dimensional by the azimuthal symmetric assumption to compute the received optical power under the given receiver aperture and field of view. The accuracy and efficiency of the proposed scheme are validated by uniform RTE solver and Monte Carlo simulations.
Li, Changping
2015-07-22
In this letter, we propose a fast numerical solution for the steady state radiative transfer equation based on the approach in [1] in order to calculate the optical path loss of light propagation suffering from attenuation due to the absorption and scattering in various water types. We apply an optimal non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. Finally, we extend the resulting radiance in 2-dimensional to 3-dimensional by the azimuthal symmetric assumption to compute the received optical power under the given receiver aperture and field of view. The accuracy and efficiency of the proposed scheme are validated by uniform RTE solver and Monte Carlo simulations.
Energy Technology Data Exchange (ETDEWEB)
Bouzidi, Chaker, E-mail: bouzidtc@yahoo.fr [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia); Horchani-Naifer, Karima; Khadraoui, Zied [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia); Elhouichet, Habib [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia); Département de Physique, Faculté des Sciences de Tunis, Université de Tunis-ElManar ElManar, 2092 Tunis (Tunisia); Ferid, Mokhtar [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia)
2016-09-15
The electronic and optical properties of calcium molybdate (CaMoO{sub 4}) have been determined by X-ray diffraction, spectroscopic measurements and calculations of energy-band structures, density of states, and optical response functions by density functional theory. The chemical bonding analysis indicates that Mo–O bonds exhibit more covalent character than the Ca–O bond. The linear photon-energy-dependent dielectric functions, conductivity, refractive index, reflectivity and extinction coefficients were investigated and analyzed. The results are in agreement with previous theoretical works and the experimental data. Reflectivity spectra revealed that the CaMoO{sub 4} promises as good coating materials in the energy region of 9.3–11.6 eV with reflectivity larger than 75%.
Multiple Scattering Model for Optical Coherence Tomography with Rytov Approximation
Li, Muxingzi
2017-01-01
of speckles due to multiple scatterers within the coherence length, and other random noise. Motivated by the above two challenges, a multiple scattering model based on Rytov approximation and Gaussian beam optics is proposed for the OCT setup. Some previous
International Nuclear Information System (INIS)
Tokheim, R.E.; Seaman, L.; Cooper, T.; Lew, B.; Curran, D.R.; Sanchez, J.; Anderson, A.; Tobin, M.
1996-01-01
This study computationally assesses the threat from shrapnel generation on the National Ignition Facility (NIF) first wall, final optics, and ultimately other target chamber components. Motion of the shrapnel is determined both by particle velocities resulting from the neutron deposition and by x-ray and ionic debris loading arising from explosion of the hohlraum. Material responses of different target area components are computed from one-dimensional and two-dimensional stress wave propagation codes. Well developed rate-dependent spall computational models are used for stainless steel spall and splitting. Severe cell distortion is accounted for in shine-shield and hohlraum-loading computations. Resulting distributions of shrapnel particles are traced to the first wall and optics and damage is estimated for candidate materials. First wall and optical material damage from shrapnel includes crater formation and associated extended cracking. 5 refs., 10 figs
International Nuclear Information System (INIS)
Ainsworth, T.L.
1983-01-01
The Δ(1232) plays an important role in determining the properties of nuclear and neutron matter. The effects of the Δ resonance are incorporated explicitly by using a coupled channel formalism. A method for constraining a lowest order variational calculation, appropriate when nucleon internal degrees of freedom are made explicity, is presented. Different N-N potentials were calculated and fit to phase shift data and deuteron properties. The potentials were constructed to test the relative importance of the Δ resonance on nuclear properties. The symmetry energy and incompressibility of nuclear matter are generally reproduced by this calculation. Neutron matter results lead to appealing neutron star models. Fermi liquid parameters for 3 He are calculated with a model that includes both direct and induced terms. A convenient form of the direct interaction is obtained in terms of the parameters. The form of the direct interaction ensures that the forward scattering sum rule (Pauli principle) is obeyed. The parameters are adjusted to fit the experimentally determined F 0 /sup s/, F 0 /sup a/, and F 1 /sup s/ Landau parameters. Higher order Landau parameters are calculated by the self-consistent solution of the equations; comparison to experiment is good. The model also leads to a preferred value for the effective mass of 3 He. Of the three parameters only one shows any dependence on pressure. An exact sum rule is derived relating this parameter to a specific summation of Landau parameters
Analytical solution of dispersion relations for the nuclear optical model
Energy Technology Data Exchange (ETDEWEB)
VanderKam, J.M. [Center for Communications Research, Thanet Road, Princeton, NJ 08540 (United States); Weisel, G.J. [Triangle Universities Nuclear Laboratory, and Duke University, Box 90308, Durham, NC 27708-0308 (United States); Penn State Altoona, 3000 Ivyside Park, Altoona, PA 16601-3760 (United States); Tornow, W. [Triangle Universities Nuclear Laboratory, and Duke University, Box 90308, Durham, NC 27708-0308 (United States)
2000-12-01
Analytical solutions of dispersion integral relations, linking the real and imaginary parts of the nuclear optical model, have been derived. These are displayed for some widely used forms of the volume- and surface-absorptive nuclear potentials. When the analytical solutions are incorporated into the optical-model search code GENOA, replacing a numerical integration, the code runs three and a half to seven times faster, greatly aiding the analysis of direct-reaction, elastic scattering data. (author)
Improved theoretical model of InN optical properties
International Nuclear Information System (INIS)
Ferreira da Silva, A.; Chubaci, J.F.D.; Matsuoka, M.; Freitas, J.A. Jr.; Tischler, J.G.; Baldissera, G.; Persson, C.
2014-01-01
The optical properties of InN are investigated theoretically by employing the projector augmented wave (PAW) method within Green's function and the screened Coulomb interaction approximation (GW o ). The calculated results are compared to previously reported calculations which use local density approximation combined with the scissors-operator approximation. The results of the present calculation are compared with reported values of the InN bandgap and with low temperature near infrared luminescence measurements of InN films deposited by a modified Ion Beam Assisted Deposition technique. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Energy Technology Data Exchange (ETDEWEB)
Li, Li; Wang, Y.-J. [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Liu, D.-X.; Ma, C.-G. [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Brik, M.G., E-mail: mikhail.brik@ut.ee [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Institute of Physics, University of Tartu, W. Ostwald Str. 1, Tartu 50411 (Estonia); Institute of Physics, Jan Długosz University, Armii Krajowej 13/15, PL-42200 Częstochowa (Poland); Suchocki, A. [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Institute of Physics, Kazimierz Wielki University, Weyssenhoffa 11, 85-072 Bydgoszcz (Poland); Piasecki, M. [Institute of Physics, Jan Długosz University, Armii Krajowej 13/15, PL-42200 Częstochowa (Poland); Reshak, A.H. [New Technologies – Research Centre, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia)
2017-02-15
Three fluoroperovskites with the general formula XCaF{sub 3} (X = K, Rb, Cs) have been systematically studied using the first-principles methods. The structural, electronic, optical, elastic and thermodynamic properties of these three compounds were calculated at the ambient and elevated hydrostatic pressure. Variation of all these properties with pressure was analyzed; it was shown that the structural and elastic constants change linearly with increased pressure, whereas the calculated band gaps follow the quadratic dependence on pressure. Influence of the first cation variation (K – Rb – Cs) on these properties was discussed. Elastic anisotropy (directional dependence of the Young moduli) of these compounds was modeled and analyzed for the first time. - Highlights: • Three cubic perovskites XCaF{sub 3} (X = K, Rb, Cs) were studied by ab initio methods. • Systematic variation of physical properties with the first cation change was traced. • Pressure effects on physical properties were calculated and modeled. • Debye temperature and Grüneisen constant for all materials were calculated for the first time. • Elastic anisotropy was visualized by plotting Young moduli directional dependences.
2015-11-18
properties of TiN bulk and surface structures were previously per- formed,24–35 analysis of the optical properties at an ab initio level for this...TDDFT dielectric functions has shown that the functional is subject to validation with GW-BSE calcula- tions. Analysis of the GW0-BSE results in...al.55) is given by the Cartesian tensor eð2Þab ðxÞ ¼ 4p 2e2 X limq!0 1 q2 P c;v;k2wkdðwkck vk wÞ huckþeaqjuvkihuckþeabqjuvki, where x is in
International Nuclear Information System (INIS)
Miranda, M; Dorrio, B V; Blanco, J; Diz-Bugarin, J; Ribas, F
2011-01-01
Two-stage phase shifting algorithms make possible to directly recover the sum or the difference of the encoded optical phase of two different fringe patterns. These algorithms can be constructed, for example, by combining known phase shifting algorithms in a non-linear way. In this work two-stage phase shifting algorithms are linked to a two-dimensional characteristic polynomial to qualitatively analyse their behaviour against the main systematic error sources in an analysis protocol like that used for phase shifting algorithms. This tool enables us to understand the propagation of properties from precursor phase shifting algorithms to new evaluation algorithms that can be built from them.
DEFF Research Database (Denmark)
Blaaberg, Søren; Mørk, Jesper
2009-01-01
We present a theoretical method for calculating small-signal modulation responses and noise spectra of active Fabry-Perot semiconductor waveguides with external light injection. Small-signal responses due to either a modulation of the pump current or due to an optical amplitude or phase modulatio...... amplifiers and an injection-locked laser. We also demonstrate the applicability of the method to analyze slow and fast light effects in semiconductor waveguides. Finite reflectivities of the facets are found to influence the phase changes of the injected microwave-modulated light....
International Nuclear Information System (INIS)
Bray, Igor.
1992-04-01
The calculations of the 3 2 S and 3 2 P spin asymmetries and the angular momentum for singlet and triplet scattering for projectile energies of 10 and 20 eV is presented. Together these observables give a most stringent test of any electron-atom scattering theory. An excellent agreement was found between the results of the coupled-channel optical method and experiment, which for the spin asymmetries can only be obtained by a good description of the couplings between the lower-lying target states and the target continuum. 10 refs., 2 figs
Comparison of standard fast reactor calculations (Baker model)
Energy Technology Data Exchange (ETDEWEB)
Voropaev, A I; Van' kov, A A; Tsybulya, A M
1978-12-01
Compared are standard fast reactor calculations performed at different laboratories using several nuclear data files: BNAB-70 and OSKAR-75 (the USSR), CARNAVAL-4 (France), FD-5 (Great Britain), KFK-INR (West Germany), ENDF/B4 (the USA). Three fuel compositions were chosen: (1) /sup 239/Pu and /sup 238/U; (2) /sup 239/Pu, /sup 238/U and fission products; (3) /sup 239/Pu, /sup 240/Pu, /sup 238/U and fission products. Medium temperature was 300K. The calculations have been conducted in the diffusion approximation. Data on critical masses and breeding ratios are tabulated. Discrepancies in the calculations of all the characteristics are small since all the countries possess practically the same nuclear data files.
Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.
2015-04-01
High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.
Kaswin, Godefroy; Rousseau, Antoine; Mgarrech, Mohamed; Barreau, Emmanuel; Labetoulle, Marc
2014-04-01
To evaluate the agreement in axial length (AL), keratometry (K), anterior chamber depth (ACD) measurements; intraocular lens (IOL) power calculations; and predictability using a new partial coherence interferometry (PCI) optical biometer (AL-Scan) and a reference (gold standard) PCI optical biometer (IOLMaster 500). Service d'Ophtalmologie, Hopital Bicêtre, APHP Université, Paris, France. Evaluation of a diagnostic device. One eye of consecutive patients scheduled for cataract surgery was measured. Biometry was performed with the new biometer and the reference biometer. Comparisons were performed for AL, average K at 2.4 mm, ACD, IOL power calculations with the Haigis and SRK/T formulas, and postoperative predictability of the devices. A P value less than 0.05 was statistically significant. The study enrolled 50 patients (mean age 72.6 years±4.2 SEM). There was a good correlation between biometers for AL, K, and ACD measurements (r=0.999, r=0.933, and r=0.701, respectively) and between IOL power calculation with the Haigis formula (r=0.972) and the SRK/T formula (r=0.981). The mean absolute error (MAE) in IOL power prediction was 0.42±0.08 diopter (D) with the new biometer and 0.44±0.08 D with the reference biometer. The MAE was 0.20 D with the Haigis formula and 0.19 with the SRK/T formula (P=.36). The new PCI biometer provided valid measurements compared with the current gold standard, indicating that the new device can be used for IOL power calculations for routine cataract surgery. No author has a financial or proprietary interest in any material or method mentioned. Copyright © 2014 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.
Calculational advance in the modeling of fuel-coolant interactions
International Nuclear Information System (INIS)
Bohl, W.R.
1982-01-01
A new technique is applied to numerically simulate a fuel-coolant interaction. The technique is based on the ability to calculate separate space- and time-dependent velocities for each of the participating components. In the limiting case of a vapor explosion, this framework allows calculation of the pre-mixing phase of film boiling and interpenetration of the working fluid by hot liquid, which is required for extrapolating from experiments to a reactor hypothetical accident. Qualitative results are compared favorably to published experimental data where an iron-alumina mixture was poured into water. Differing results are predicted with LMFBR materials
Fischer-Hirchert, Ulrich H P
2015-01-01
This book serves as a guide on photonic assembly techniques. It provides an overview of today's state-of-the-art technologies for photonic packaging experts and professionals in the field. The text guides the readers to the practical use of optical connectors. It also assists engineers to find a way to an effective and inexpensive set-up for their own needs. In addition, many types of current industrial modules and state-of-the-art applications from single fiber to multi fiber are described in detail. Simulation techniques such as FEM, BPM and ray tracing are explained in depth. Finally, all recent reliability test procedures for datacom and telecom modules are illustrated in combination with related standardization aspects.
Lesperance, Marielle; Inglis-Whalen, M; Thomson, R M
2014-02-01
simulations, the average dose to the lens is larger by 7%-9% than the dose to the center of the lens, and the maximum dose to the optic nerve is 17%-22% higher than the dose to the optic disk for all radionuclides. In general, when normalized to the same prescription dose at the tumor apex, doses delivered to all structures of interest in the full eye model are lowest for(103)Pd and highest for (131)Cs, except for the tumor where the average dose is highest for (103)Pd and lowest for (131)Cs. The eye is not radiologically water-equivalent, as doses from simulations of the plaque in the full eye model differ considerably from doses for the plaque in a water phantom and from simulated TG-43 calculated doses. This demonstrates the importance of model-based dose calculations for eye plaque brachytherapy, for which accurate elemental compositions of ocular media are necessary.
International Nuclear Information System (INIS)
Lesperance, Marielle; Inglis-Whalen, M.; Thomson, R. M.
2014-01-01
to 16%. In the full eye model simulations, the average dose to the lens is larger by 7%–9% than the dose to the center of the lens, and the maximum dose to the optic nerve is 17%–22% higher than the dose to the optic disk for all radionuclides. In general, when normalized to the same prescription dose at the tumor apex, doses delivered to all structures of interest in the full eye model are lowest for 103 Pd and highest for 131 Cs, except for the tumor where the average dose is highest for 103 Pd and lowest for 131 Cs. Conclusions : The eye is not radiologically water-equivalent, as doses from simulations of the plaque in the full eye model differ considerably from doses for the plaque in a water phantom and from simulated TG-43 calculated doses. This demonstrates the importance of model-based dose calculations for eye plaque brachytherapy, for which accurate elemental compositions of ocular media are necessary
Quantum-mechanical analysis of the VRsup(n) ambiguity in the optical model
International Nuclear Information System (INIS)
Shastry, C.S.
1982-01-01
Using analytical methods and without adopting numerical calculations or semiclassical arguments, it is shown that the well known VRsup(n), n is approximately equal to 2, parameter ambiguity in the neutron-nucleus optical potential can be attributed to the closeness of the Woods-Saxon potential to the corresponding square well inside the nucleus. This parameter ambiguity is absent in individual partial waves but is more apparent in the differential cross section. The analysis is generalised to the proton-nucleus optical model. The present method clearly pinpoints the mathematical origin of the VRsup(n) ambiguity which is difficult to deduce by purely numerical methods. (author)
Web Platform for Sharing Modeling Software in the Field of Nonlinear Optics
Dubenskaya, Julia; Kryukov, Alexander; Demichev, Andrey
2018-02-01
We describe the prototype of a Web platform intended for sharing software programs for computer modeling in the rapidly developing field of the nonlinear optics phenomena. The suggested platform is built on the top of the HUBZero open-source middleware. In addition to the basic HUBZero installation we added to our platform the capability to run Docker containers via an external application server and to send calculation programs to those containers for execution. The presented web platform provides a wide range of features and might be of benefit to nonlinear optics researchers.
Web Platform for Sharing Modeling Software in the Field of Nonlinear Optics
Directory of Open Access Journals (Sweden)
Dubenskaya Julia
2018-01-01
Full Text Available We describe the prototype of a Web platform intended for sharing software programs for computer modeling in the rapidly developing field of the nonlinear optics phenomena. The suggested platform is built on the top of the HUBZero open-source middleware. In addition to the basic HUBZero installation we added to our platform the capability to run Docker containers via an external application server and to send calculation programs to those containers for execution. The presented web platform provides a wide range of features and might be of benefit to nonlinear optics researchers.
Energy Technology Data Exchange (ETDEWEB)
Benrekia, A.R., E-mail: benrekia.ahmed@yahoo.com [Faculty of Science and Technology, University of Medea (Algeria); Benkhettou, N. [Laboratoire des Materiaux Magnetiques, Faculte des Sciences, Universite Djillali Liabes de Sidi Bel Abbes (Algeria); Nassour, A. [Laboratoire de Cristallographie, Resonance Magnetique et Modelisations (CRM2, UMR CNRS 7036) Institut Jean Barriol, Nancy Universite BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-les-Nancy (France); Driz, M. [Applied Material Laboratory (AML), Electronics Department, University of Sidi bel Abbes (DZ 22000) (Algeria); Sahnoun, M. [Laboratoire de Physique Quantique de la Matiere et Modelisations Mathematique (LPQ3M), Faculty of Science and Technology,University of Mascara (Algeria); Lebegue, S. [Laboratoire de Cristallographie, Resonance Magnetique et Modelisations (CRM2, UMR CNRS 7036) Institut Jean Barriol, Nancy Universite BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-les-Nancy (France)
2012-07-01
We present first-principles VASP calculations of the structural, electronic, vibrational, and optical properties of paraelectric SrTiO{sub 3} and KTaO{sub 3}. The ab initio calculations are performed in the framework of density functional theory with different exchange-correlation potentials. Our calculated lattice parameters, elastic constants, and vibrational frequencies are found to be in good agreement with the available experimental values. Then, the bandstructures are calculated with the GW approximation, and the corresponding band gap is used to obtain the optical properties of SrTiO{sub 3} and KTaO{sub 3}.
Measurement and modelization of silica opal optical properties
Avoine, Amaury; Hong, Phan Ngoc; Frederich, Hugo; Aregahegn, Kifle; Bénalloul, Paul; Coolen, Laurent; Schwob, Catherine; Thu Nga, Pham; Gallas, Bruno; Maître, Agnès
2014-03-01
We present the synthesis process and optical characterization of artificial silica opals. The specular reflection spectra are analyzed and compared to band structure calculations and finite difference time domain (FDTD) simulations. The silica optical index is a key parameter to correctly describe an opal and is usually not known and treated as a free parameter. Here we propose a method to infer the silica index, as well as the silica spheres diameter, from the reflection spectra and we validate it by comparison with two independent infrared methods for the index and, scanning electron microscopy (SEM) and atomic force microscopy (AFM) measurements for the spheres diameter.
Measurement and modelization of silica opal optical properties
International Nuclear Information System (INIS)
Avoine, Amaury; Ngoc Hong, Phan; Frederich, Hugo; Aregahegn, Kifle; Bénalloul, Paul; Coolen, Laurent; Schwob, Catherine; Gallas, Bruno; Maître, Agnès; Thu Nga, Pham
2014-01-01
We present the synthesis process and optical characterization of artificial silica opals. The specular reflection spectra are analyzed and compared to band structure calculations and finite difference time domain (FDTD) simulations. The silica optical index is a key parameter to correctly describe an opal and is usually not known and treated as a free parameter. Here we propose a method to infer the silica index, as well as the silica spheres diameter, from the reflection spectra and we validate it by comparison with two independent infrared methods for the index and, scanning electron microscopy (SEM) and atomic force microscopy (AFM) measurements for the spheres diameter. (paper)
Institute of Scientific and Technical Information of China (English)
刘孝娟; 封继康; 任爱民
2003-01-01
The equilibrium geometries and UV-visible spectra of a series of donor-C60 molecules were obtained by means of the AM1 and INDO/CI method,on the basis of accurate geometric and electronic structures.The nonlinear second-order optical polarizabilities were calculated using the method INDO/SDCI combined with the Sum-Over-States(SOS) expression.The calculatedβ(λ=1.34μm) values are 28.81,48.56,57.33,66.99,70.85,85.84,and 142.14(×10-30 esu) for the molecules A,B,C,D,E,F and G,respectively.The frontier orbitals were plot for the representative molecules in order to exhibit the intramolecular charge transfer.The results indicate the introduction of thienylethylene can enhance the NLO response and the dimethylaniline-substituted dithienyl-ethylene-C60 (molecule G) possesses the largest NLO second-order optical polarizability.The large β values can be attributed to the charge transfer between the substituents and C60,as well as within the three-dimensional conjugated sphere of C60.
Modeling illumination performance of plastic optical fiber passive daylighting system
Energy Technology Data Exchange (ETDEWEB)
Sulaiman, F; Ahmad, A [Universiti Teknologi MARA, Shah Alam (Malaysia). Faculty of Electrical Engineering; Ahmed, A Z [Universiti Teknologi MARA, Shah Alam (Malaysia). Bureau of Reseaarch and Consultancy
2006-12-15
of the most direct methods of utilizing solar energy for energy conservation is to bring natural light indoors to light up an area. This paper reports on the investigation of the feasibility to utilize large core optical fibers to convey and distribute solar light passively throughout residential or commercial structures. The focus of this study is on the mathematical modeling of the illumination performance and the light transmission efficiency of solid core end light fiber for optical day lighting systems. The Meatball simulations features the optical fiber transmittance for glass and plastic fibers, illumination performance over lengths of plastic end-lit fiber, spectral transmission, light intensity loss through the large diameter solid core optical fibers as well as the transmission efficiency of the optical fiber itself. It was found that plastic optical fiber has less transmission loss over the distance of the fiber run which clearly shows that the Plastic Optical Fiber should be optimized for emitting visible light. The findings from the analysis on the performance of large diameter optical fibers for day lighting systems seems feasible for energy efficient lighting system in commercial or residential buildings.
Modeling illumination performance of plastic optical fiber passive daylighting system
International Nuclear Information System (INIS)
Sulaiman, F.; Ahmad, A.; Ahmed, A.Z.
2006-01-01
One of the most direct methods of utilizing solar energy for energy conservation is to bring natural light indoors to light up an area. This paper reports on the investigation of the feasibility to utilize large core optical fibers to convey and distribute solar light passively throughout residential or commercial structures. The focus of this study is on the mathematical modeling of the illumination performance and the light transmission efficiency of solid core end light fiber for optical day lighting systems. The Meatball simulations features the optical fiber transmittance for glass and plastic fibers, illumination performance over lengths of plastic end-lit fiber, spectral transmission, light intensity loss through the large diameter solid core optical fibers as well as the transmission efficiency of the optical fiber itself. It was found that plastic optical fiber has less transmission loss over the distance of the fiber run which clearly shows that the Plastic Optical Fiber should be optimized for emitting visible light. The findings from the analysis on the performance of large diameter optical fibers for day lighting systems seems feasible for energy efficient lighting system in commercial or residential buildings
Generic distortion model for metrology under optical microscopes
Liu, Xingjian; Li, Zhongwei; Zhong, Kai; Chao, YuhJin; Miraldo, Pedro; Shi, Yusheng
2018-04-01
For metrology under optical microscopes, lens distortion is the dominant source of error. Previous distortion models and correction methods mostly rely on the assumption that parametric distortion models require a priori knowledge of the microscopes' lens systems. However, because of the numerous optical elements in a microscope, distortions can be hardly represented by a simple parametric model. In this paper, a generic distortion model considering both symmetric and asymmetric distortions is developed. Such a model is obtained by using radial basis functions (RBFs) to interpolate the radius and distortion values of symmetric distortions (image coordinates and distortion rays for asymmetric distortions). An accurate and easy to implement distortion correction method is presented. With the proposed approach, quantitative measurement with better accuracy can be achieved, such as in Digital Image Correlation for deformation measurement when used with an optical microscope. The proposed technique is verified by both synthetic and real data experiments.
Calculation of the 3D density model of the Earth
Piskarev, A.; Butsenko, V.; Poselov, V.; Savin, V.
2009-04-01
The study of the Earth's crust is a part of investigation aimed at extension of the Russian Federation continental shelf in the Sea of Okhotsk Gathered data allow to consider the Sea of Okhotsk' area located outside the exclusive economic zone of the Russian Federation as the natural continuation of Russian territory. The Sea of Okhotsk is an Epi-Mesozoic platform with Pre-Cenozoic heterogeneous folded basement of polycyclic development and sediment cover mainly composed of Paleocene - Neocene - Quaternary deposits. Results of processing and complex interpretation of seismic, gravity, and aeromagnetic data along profile 2-DV-M, as well as analysis of available geological and geophysical information on the Sea of Okhotsk region, allowed to calculate of the Earth crust model. 4 layers stand out (bottom-up) in structure of the Earth crust: granulite-basic (density 2.90 g/cm3), granite-gneiss (limits of density 2.60-2.76 g/cm3), volcanogenic-sedimentary (2.45 g/cm3) and sedimentary (density 2.10 g/cm3). The last one is absent on the continent; it is observed only on the water area. Density of the upper mantle is taken as 3.30 g/cm3. The observed gravity anomalies are mostly related to the surface relief of the above mentioned layers or to the density variations of the granite-metamorphic basement. So outlining of the basement blocks of different constitution preceded to the modeling. This operation is executed after Double Fourier Spectrum analysis of the gravity and magnetic anomalies and following compilation of the synthetic anomaly maps, related to the basement density and magnetic heterogeneity. According to bathymetry data, the Sea of Okhotsk can be subdivided at three mega-blocks. Taking in consideration that central Sea of Okhotsk area is aseismatic, i.e. isostatic compensated, it is obvious that Earth crust structure of these three blocks is different. The South-Okhotsk depression is characteristics by 3200-3300 m of sea depths. Moho surface in this area is at
Modelling of new generation plasma optical devices
Directory of Open Access Journals (Sweden)
Litovko Irina V.
2016-06-01
Full Text Available The paper presents new generation plasma optical devices based on the electrostatic plasma lens configuration that opens a novel attractive possibility for effective high-tech practical applications. Original approaches to use of plasma accelerators with closed electron drift and open walls for the creation of a cost-effective low-maintenance plasma lens with positive space charge and possible application for low-cost, low-energy rocket engine are described. The preliminary experimental, theoretical and simulation results are presented. It is noted that the presented plasma devices are attractive for many different applications in the state-of-the-art vacuum-plasma processing.
EPR, optical and superposition model study of Mn2+ doped L+ glutamic acid
Kripal, Ram; Singh, Manju
2015-12-01
Electron paramagnetic resonance (EPR) study of Mn2+ doped L+ glutamic acid single crystal is done at room temperature. Four interstitial sites are observed and the spin Hamiltonian parameters are calculated with the help of large number of resonant lines for various angular positions of external magnetic field. The optical absorption study is also done at room temperature. The energy values for different orbital levels are calculated, and observed bands are assigned as transitions from 6A1g(s) ground state to various excited states. With the help of these assigned bands, Racah inter-electronic repulsion parameters B = 869 cm-1, C = 2080 cm-1 and cubic crystal field splitting parameter Dq = 730 cm-1 are calculated. Zero field splitting (ZFS) parameters D and E are calculated by the perturbation formulae and crystal field parameters obtained using superposition model. The calculated values of ZFS parameters are in good agreement with the experimental values obtained by EPR.
Li, Changping
2014-11-10
In this report, we propose a fast numerical solution for the steady state radiative transfer equation in order to calculate the path loss due to light absorption and scattering in various type of underwater channels. In the proposed scheme, we apply a direct non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. The accuracy and efficiency of the proposed scheme is validated by Monte Carlo simulations.
Li, Changping; Park, Ki-Hong; Alouini, Mohamed-Slim
2014-01-01
In this report, we propose a fast numerical solution for the steady state radiative transfer equation in order to calculate the path loss due to light absorption and scattering in various type of underwater channels. In the proposed scheme, we apply a direct non-uniform method to discretize the angular space and an upwind type finite difference method to discretize the spatial space. A Gauss-Seidel iterative method is then applied to solve the fully discretized system of linear equations. The accuracy and efficiency of the proposed scheme is validated by Monte Carlo simulations.
Power plant reliability calculation with Markov chain models
International Nuclear Information System (INIS)
Senegacnik, A.; Tuma, M.
1998-01-01
In the paper power plant operation is modelled using continuous time Markov chains with discrete state space. The model is used to compute the power plant reliability and the importance and influence of individual states, as well as the transition probabilities between states. For comparison the model is fitted to data for coal and nuclear power plants recorded over several years. (orig.) [de
Calculation of single chain cellulose elasticity using fully atomistic modeling
Xiawa Wu; Robert J. Moon; Ashlie Martini
2011-01-01
Cellulose nanocrystals, a potential base material for green nanocomposites, are ordered bundles of cellulose chains. The properties of these chains have been studied for many years using atomic-scale modeling. However, model predictions are difficult to interpret because of the significant dependence of predicted properties on model details. The goal of this study is...
International Nuclear Information System (INIS)
Beleggia, M.; Pozzi, G.
2001-01-01
An approach is presented for the calculation of the electron optical phase shift experienced by high-energy electrons in a transmission electron microscope, when they interact with the magnetic field associated with superconducting fluxons in a thin specimen tilted with respect to the beam. It is shown that by decomposing the vector potential in its Fourier components and by calculating the phase shift of each component separately, it is possible to obtain the Fourier transform of the electron optical phase shift, which can be inverted either analytically or numerically. It will be shown how this method can be used to recover the result, previously obtained by the real-space approach, relative to the case of a straight flux tube perpendicular to the specimen surfaces. Then the method is applied to the case of a London fluxon in a thin film, where the bending and the broadening of the magnetic-field lines due to the finite specimen thickness are now correctly taken into account and not treated approximately by means of a parabolic fit. Finally, it will be shown how simple models for the pancake structure of the fluxon can be analyzed within this framework and the main features of electron transmission images predicted
Energy Technology Data Exchange (ETDEWEB)
Lahiji, Mohammadreza Askaripour, E-mail: m.a.lahijiii@gmail.com [Department of applied mathematics, Astaneh Ashrafieh Branch, Islamic Azad University, Astaneh Ashrafieh (Iran, Islamic Republic of); Ziabari, Ali Abdolahzadeh, E-mail: ali.abd.ziabari@gmail.com [Nano Research Lab, Lahijan Branch, Islamic Azad University, P.O. Box: 1616, Lahijan (Iran, Islamic Republic of)
2016-11-15
The structural, elastic, electronic, and optical properties of undoped and Cu–doped ZnS nanostructured layers have been studied in the zincblende (ZB) phase, by first–principle approach. Density functional theory (DFT) has been employed to calculate the fundamental properties of the layers using full–potential linearized augmented plane–wave (FPLAPW) method. Mechanical analysis revealed that the bulk modulus increases with the increase of Cu content. Cu doping was found to reduce the band gap value of the material. In addition, DOS effective mass of the electrons and heavy holes was evaluated. Adding Cu caused the decrement/increment of transmission/reflectance of nanolayers in the UV–vis region. The substitution by Cu increased the intensity of the peaks, and a slight red shift was observed in the absorption peak. Moreover, the static dielectric constant, and static refractive index increased with Cu content. The optical conductivity also followed a similar trend to that of the dielectric constants. Energy loss function of the modeled compounds was also evaluated. All calculated parameters were compared with the available experimental and other theoretical results.
Model calculation for energy loss in ion-surface collisions
International Nuclear Information System (INIS)
Miraglia, J.E.; Gravielle, M.S.
2003-01-01
The so-called local plasma approximation is generalized to deal with projectiles colliding with surfaces of amorphous solids and with a specific crystalline structure (plannar channeling). Energy loss of protons grazingly colliding with aluminum, SnTe alloy, and LiF surfaces is investigated. The calculations agree quite well with previous theoretical results and explain the experimental findings of energy loss for aluminum and SnTe alloy, but they fall short to explain the data for LiF surfaces
Gaussian optics calculations of the parameters of a magnetic sector energy analyzer
International Nuclear Information System (INIS)
Zaluzec, N.J.
1978-01-01
The design of a magnetic deflection system for use as an electron energy loss spectrometer can be a complex process if one takes the most general approach. However, for application to materials research the design process can be reduced to three basic steps. First, the qualitative features of the overall system are defined--i.e., incident electron energy, required resolution, type of magnet, the desired focal properties, etc. Secondly, the design parameters necessary to meet these requirements are calculated using the appropriate equations. Finally, once the magnetic field has been specified, ray-tracing techniques can be employed to verify the system response to the conditions defined in the first two steps. The calculation of the parameters of a uniform field magnetic sector analyzer capable of energy resolutions of 20 ppM or better are considered. Higher resolution is attainable; however, for most materials work, more important considerations are the attainment of double focusing to improve S/N, the minimization of aberrations and the achievement of a flat image plane to facilitate parallel data recording
International Nuclear Information System (INIS)
Kubec, Adam; Braun, Stefan; Gawlitza, Peter; Menzel, Maik; Leson, Andreas
2016-01-01
Diffractive X-ray optical elements made by thin film coating techniques such as multilayer Laue lenses (MLL) and multilayer zone plates (MZP) are promising approaches to achieve resolutions in hard X-ray microscopy applications of less than 10 nm. The challenge is to make a lens with a large numerical aperture on the one hand and a decent working distance on the other hand. One of the limiting factors with the coated structures is the internal stress in the films, which can lead to significant bending of the substrate and various types of unwanted diffraction effects. Several approaches have been discussed to overcome this challenge. One of these is a three-material combination such as Mo/MoSi_2/Si, where four single layers per period are deposited. Mo and Si represent the absorber and spacer in this case while MoSi_2 forms a diffusion barrier; in addition the thicknesses of absorber and spacer are chosen to minimize residual stress of the overall coating. Here the diffraction efficiency as well as the profile of the beam in the focal plane are discussed in order to find a tradeoff between lowest residual stress and best diffraction properties.
Quantum model for electro-optical amplitude modulation.
Capmany, José; Fernández-Pousa, Carlos R
2010-11-22
We present a quantum model for electro-optic amplitude modulation, which is built upon quantum models of the main photonic components that constitute the modulator, that is, the guided-wave beamsplitter and the electro-optic phase modulator and accounts for all the different available modulator structures. General models are developed both for single and dual drive configurations and specific results are obtained for the most common configurations currently employed. Finally, the operation with two-photon input for the control of phase-modulated photons and the important topic of multicarrier modulation are also addressed.
Mathematic models for a ray tracing method and its applications in wireless optical communications.
Zhang, Minglun; Zhang, Yangan; Yuan, Xueguang; Zhang, Jinnan
2010-08-16
This paper presents a new ray tracing method, which contains a whole set of mathematic models, and its validity is verified by simulations. In addition, both theoretical analysis and simulation results show that the computational complexity of the method is much lower than that of previous ones. Therefore, the method can be used to rapidly calculate the impulse response of wireless optical channels for complicated systems.
Energy Technology Data Exchange (ETDEWEB)
Moeller, M. P.; Urbanik, II, T.; Desrosiers, A. E.
1982-03-01
This paper describes the methodology and application of the computer model CLEAR (Calculates Logical Evacuation And Response) which estimates the time required for a specific population density and distribution to evacuate an area using a specific transportation network. The CLEAR model simulates vehicle departure and movement on a transportation network according to the conditions and consequences of traffic flow. These include handling vehicles at intersecting road segments, calculating the velocity of travel on a road segment as a function of its vehicle density, and accounting for the delay of vehicles in traffic queues. The program also models the distribution of times required by individuals to prepare for an evacuation. In order to test its accuracy, the CLEAR model was used to estimate evacuatlon tlmes for the emergency planning zone surrounding the Beaver Valley Nuclear Power Plant. The Beaver Valley site was selected because evacuation time estimates had previously been prepared by the licensee, Duquesne Light, as well as by the Federal Emergency Management Agency and the Pennsylvania Emergency Management Agency. A lack of documentation prevented a detailed comparison of the estimates based on the CLEAR model and those obtained by Duquesne Light. However, the CLEAR model results compared favorably with the estimates prepared by the other two agencies.
International Nuclear Information System (INIS)
Moeller, M.P.; Desrosiers, A.E.; Urbanik, T. II
1982-03-01
This paper describes the methodology and application of the computer model CLEAR (Calculates Logical Evacuation And Response) which estimates the time required for a specific population density and distribution to evacuate an area using a specific transportation network. The CLEAR model simulates vehicle departure and movement on a transportation network according to the conditions and consequences of traffic flow. These include handling vehicles at intersecting road segments, calculating the velocity of travel on a road segment as a function of its vehicle density, and accounting for the delay of vehicles in traffic queues. The program also models the distribution of times required by individuals to prepare for an evacuation. In order to test its accuracy, the CLEAR model was used to estimate evacuation times for the emergency planning zone surrounding the Beaver Valley Nuclear Power Plant. The Beaver Valley site was selected because evacuation time estimates had previously been prepared by the licensee, Duquesne Light, as well as by the Federal Emergency Management Agency and the Pennsylvania Emergency Management Agency. A lack of documentation prevented a detailed comparison of the estimates based on the CLEAR model and those obtained by Duquesne Light. However, the CLEAR model results compared favorably with the estimates prepared by the other two agencies. (author)
Non-local coupled-channels optical calculation of electron scattering by atomic hydrogen at 54.42 eV
International Nuclear Information System (INIS)
Ratnavelu, K.; McCarthy, I.E.
1990-01-01
The present study incorporates the non-local optical potentials for the continuum within the coupled-channels optical framework to study electron scattering from atomic hydrogen at 54.42 eV. Nine-state coupled-channels calculations with non-local and local continuum optical potentials were performed. The results for differential, total and ionization cross sections as well as the 2p angular correlation parameters λ and R are comparable with other non-perturbative calculations. There are still discrepancies between theory and experiment, particularly for λ and R at larger angles. (author)
Calculation of Electronic and Optical Properties of Doped Titanium Dioxide Nanostructure
Directory of Open Access Journals (Sweden)
Sh. Khaleghi
2012-06-01
Full Text Available By means of first principles calculations we show that both rutile and anatase phases of bulk TiO2 doped by S, Se or Pb can display substantial decreasing in the band gap (up to 50%, while doping by Zr does not sizably affect the band-gap value. Moreover, the absorption edge is shifted (up to 1 eV to the lower energy range in the case of TiO2 doped by S or Pb that opens a way to enhancing of absorption of sun’s radiation. We also discuss how our findings can improve efficiency of photovoltaic cells and photocatalytic cells for hydrogen generation.
Araújo-Filho, Adailton A.; Silva, Fábio L. R.; Righi, Ariete; da Silva, Mauricélio B.; Silva, Bruno P.; Caetano, Ewerton W. S.; Freire, Valder N.
2017-06-01
Powder samples of bulk monoclinic sodium trititanate Na2Ti3O7 were prepared carefully by solid state reaction, and its monoclinic P21/m crystal structure and morphology were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. Moreover, the sodium trititanate main energy band gap was estimated as Eg=3.51±0.01 eV employing UV-Vis spectroscopy, which is smaller than the measured 3.70 eV energy gap published previously by other authors. Aiming to achieve a better understanding of the experimental data, density functional theory (DFT) computations were performed within the local density and generalized gradient approximations (LDA and GGA, respectively) taking into account dispersion effects through the scheme of Tkatchenko and Scheffler (GGA+TS). Optimal lattice parameters, with deviations relative to measurements Δa=-0.06 Å, Δb=0.02 Å, and Δc=-0.09 Å, were obtained at the GGA level, which was then used to simulate the sodium trititanate electronic and optical properties. Indirect band transitions have led to a theoretical gap energy value of about 3.25 eV. Our results, however, differ from pioneer DFT results with respect to the specific Brillouin zone vectors for which the indirect transition with smallest energy value occurs. Effective masses for electrons and holes were also estimated along a set of directions in reciprocal space. Lastly, our calculations revealed a relatively large degree of optical isotropy for the Na2Ti3O7 optical absorption and complex dielectric function.
REFINED MODEL OF THE OPTICAL SYSTEM FOR SPACE MINI-VEHICLES WITH LASER PROPULSION
Directory of Open Access Journals (Sweden)
M. S. Egorov
2015-09-01
Full Text Available Simulation results for on-board optical system of a space mini-vehicle with laser propulsion are presented. This system gives the possibility for receiving theremote laser radiation power independently of a system telescope mutual orientation to the vehicle orbiting direction. The on-board optical system is designed with the use of such optical elements as optical hinges and turrets. The system incorporates the optical switch that is a special optical system adapting optically both receiving telescope and laser propulsion engines. Modeling and numerical simulation of the system have been performed with the use of ZEMAX software (Radiant Ltd. The object matter of calculations lied in size definition of system optical elements, requirements to accuracy of their manufacturing and reciprocal adjusting to achieve an efficient radiation energy delivery to laser propulsion engine. Calculations have been performed with account to the limitations on the mini-vehicle mass, its overall dimensions, and radiation threshold density of the optical elements utilized. The requirements to the laser beam quality at the entrance aperture of laser propulsion engine have been considered too. State-of-the-art optical technologies make it possible to manufacture space reflectors made of CO-115M glassceramics with weight-reducing coefficient of 0.72 and the radiation threshold of 5 J/cm2 for the radiation with a 1.064 microns wavelength at 10-20 ns pulse duration. The optimal diameter of a receiving telescope primary mirror has been 0.5 m when a coordinated transmitting telescope diameter is equal to 1 m. This provides the reception of at least 84% of laser energy. The main losses of radiation energy are caused by improper installation of receiving telescope mirrors and by in-process errors arising at manufacturing the telescope mirrors with a parabolic surface. It is shown that requirements to the in-process admissible errors for the on-board optical system elements
Extended Hubbard models for ultracold atoms in optical lattices
Energy Technology Data Exchange (ETDEWEB)
Juergensen, Ole
2015-06-05
In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.
Optical linear algebra processors - Noise and error-source modeling
Casasent, D.; Ghosh, A.
1985-01-01
The modeling of system and component noise and error sources in optical linear algebra processors (OLAPs) are considered, with attention to the frequency-multiplexed OLAP. General expressions are obtained for the output produced as a function of various component errors and noise. A digital simulator for this model is discussed.
Optical linear algebra processors: noise and error-source modeling.
Casasent, D; Ghosh, A
1985-06-01
The modeling of system and component noise and error sources in optical linear algebra processors (OLAP's) are considered, with attention to the frequency-multiplexed OLAP. General expressions are obtained for the output produced as a function of various component errors and noise. A digital simulator for this model is discussed.
Event-based Simulation Model for Quantum Optics Experiments
De Raedt, H.; Michielsen, K.; Jaeger, G; Khrennikov, A; Schlosshauer, M; Weihs, G
2011-01-01
We present a corpuscular simulation model of optical phenomena that does not require the knowledge of the solution of a wave equation of the whole system and reproduces the results of Maxwell's theory by generating detection events one-by-one. The event-based corpuscular model gives a unified
Optical Associative Memory Model With Threshold Modification Using Complementary Vector
Bian, Shaoping; Xu, Kebin; Hong, Jing
1989-02-01
A new criterion to evaluate the similarity between two vectors in associative memory is presented. According to it, an experimental research about optical associative memory model with threshold modification using complementary vector is carried out. This model is capable of eliminating the posibility to recall erroneously. Therefore the accuracy of reading out is improved.
Extended Hubbard models for ultracold atoms in optical lattices
International Nuclear Information System (INIS)
Juergensen, Ole
2015-01-01
In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.
Event-Based Corpuscular Model for Quantum Optics Experiments
Michielsen, K.; Jin, F.; Raedt, H. De
A corpuscular simulation model of optical phenomena that does not require the knowledge of the solution of a wave equation of the whole system and reproduces the results of Maxwell's theory by generating detection events one-by-one is presented. The event-based corpuscular model is shown to give a
Optical-model analysis of exotic atom data. Pt. 1
International Nuclear Information System (INIS)
Batty, C.J.
1981-01-01
Data for kaonic atoms are fitted using a simple optical model with a potential proportional to the nuclear density. Very satisfactory fits to strong interaction shift and width values are obtained but difficulties in fitting yield values indicate that the model is not completely satisfactory. The potential strength can be related to the free kaon-nucleon scattering lengths using a model due to Deloff. A good overall representation of the data is obtained with a black-sphere model. (orig.)
A Novel Rodent Model of Posterior Ischemic Optic Neuropathy
Wang, Yan; Brown, Dale P.; Duan, Yuanli; Kong, Wei; Watson, Brant D.; Goldberg, Jeffrey L.
2014-01-01
Objectives To develop a reliable, reproducible rat model of posterior ischemic optic neuropathy (PION) and study the cellular responses in the optic nerve and retina. Methods Posterior ischemic optic neuropathy was induced in adult rats by photochemically induced ischemia. Retinal and optic nerve vasculature was examined by fluorescein isothiocyanate–dextran extravasation. Tissue sectioning and immunohistochemistry were used to investigate the pathologic changes. Retinal ganglion cell survival at different times after PION induction, with or without neurotrophic application, was quantified by fluorogold retrograde labeling. Results Optic nerve injury was confirmed after PION induction, including local vascular leakage, optic nerve edema, and cavernous degeneration. Immunostaining data revealed microglial activation and focal loss of astrocytes, with adjacent astrocytic hypertrophy. Up to 23%, 50%, and 70% retinal ganglion cell loss was observed at 1 week, 2 weeks, and 3 weeks, respectively, after injury compared with a sham control group. Experimental treatment by brain-derived neurotrophic factor and ciliary neurotrophic factor remarkably prevented retinal ganglion cell loss in PION rats. At 3 weeks after injury, more than 40% of retinal ganglion cells were saved by the application of neurotrophic factors. Conclusions Rat PION created by photochemically induced ischemia is a reproducible and reliable animal model for mimicking the key features of human PION. Clinical Relevance The correspondence between the features of this rat PION model to those of human PION makes it an ideal model to study the pathophysiologic course of the disease, most of which remains to be elucidated. Furthermore, it provides an optimal model for testing therapeutic approaches for optic neuropathies. PMID:23544206
Carbon dioxide fluid-flow modeling and injectivity calculations
Burke, Lauri
2011-01-01
At present, the literature lacks a geologic-based assessment methodology for numerically estimating injectivity, lateral migration, and subsequent long-term containment of supercritical carbon dioxide that has undergone geologic sequestration into subsurface formations. This study provides a method for and quantification of first-order approximations for the time scale of supercritical carbon dioxide lateral migration over a one-kilometer distance through a representative volume of rock. These calculations provide a quantified foundation for estimating injectivity and geologic storage of carbon dioxide.
Malm, William C.; Day, Derek E.; Carrico, Christian; Kreidenweis, Sonia M.; Collett, Jeffrey L.; McMeeking, Gavin; Lee, Taehyoung; Carrillo, Jacqueline; Schichtel, Bret
2005-07-01
Physical and optical properties of inorganic aerosols have been extensively studied, but less is known about carbonaceous aerosols, especially as they relate to the non-urban settings such as our nation's national parks and wilderness areas. Therefore an aerosol characterization study was conceived and implemented at one national park that is highly impacted by carbonaceous aerosols, Yosemite. The primary objective of the study was to characterize the physical, chemical, and optical properties of a carbon-dominated aerosol, including the ratio of total organic matter weight to organic carbon, organic mass scattering efficiencies, and the hygroscopic characteristics of a carbon-laden ambient aerosol, while a secondary objective was to evaluate a variety of semi-continuous monitoring systems. Inorganic ions were characterized using 24-hour samples that were collected using the URG and Interagency Monitoring of Protected Visual Environments (IMPROVE) monitoring systems, the micro-orifice uniform deposit impactor (MOUDI) cascade impactor, as well as the semi-continuous particle-into-liquid sampler (PILS) technology. Likewise, carbonaceous material was collected over 24-hour periods using IMPROVE technology along with the thermal optical reflectance (TOR) analysis, while semi-continuous total carbon concentrations were measured using the Rupprecht and Patashnick (R&P) instrument. Dry aerosol number size distributions were measured using a differential mobility analyzer (DMA) and optical particle counter, scattering coefficients at near-ambient conditions were measured with nephelometers fitted with PM10 and PM2.5 inlets, and "dry" PM2.5 scattering was measured after passing ambient air through Perma Pure Nafion® dryers. In general, the 24-hour "bulk" measurements of various aerosol species compared more favorably with each other than with the semi-continuous data. Semi-continuous sulfate measurements correlated well with the 24-hour measurements, but were biased low by
International Nuclear Information System (INIS)
Efremenko, Dmitry S.; Loyola, Diego G.; Spurr, Robert J.D.; Doicu, Adrian
2014-01-01
In the independent pixel approximation (IPA), radiative transfer computations involving cloudy scenes require two separate calls to the radiative transfer model (RTM), one call for a clear sky scenario, the other for an atmosphere containing clouds. In this paper, clouds are considered as an optically homogeneous layer. We present two novel methods for RTM performance enhancement with particular application to trace gas retrievals under cloudy conditions. Both methods are based on reusing results from clear-sky RTM calculations to speed up corresponding calculations for the cloud-filled scenario. The first approach is numerically exact, and has been applied to the discrete-ordinate with matrix exponential (DOME) RTM. Results from the original clear sky computation can be saved in the memory and reused for the non-cloudy layers in the second computation. In addition, for the whole-atmosphere boundary-value approach to the determination of the intensity field, we can exploit a ’telescoping technique’ to reduce the dimensionality (and hence the computational effort for the solution) of the boundary value problem in the absence of Rayleigh scattering contributions for higher azimuthal components of the radiation field. The second approach is (for the cloudy scenario) to generate a spectral correction applied to the radiation field from a fast two-stream RTM. This correction is based on the use of principal-component analysis (PCA) applied to a given window of spectral optical property data, in order to exploit redundancy in the data and confine the number of full-stream multiple scatter computations to the first few EOFs (Empirical Orthogonal Functions) arising from the PCA. This method has been applied to the LIDORT RTM; although the method involves some approximation, it provides accuracy better than 0.2%, and a speed-up factor of approximately 2 compared with two calls of RTM. -- Highlights: • Reusing results from clear-sky computations for a model with a
Popov, I; Valašková, J; Štefaničková, J; Krásnik, V
2017-01-01
A substantial part of the population suffers from some kind of refractive errors. It is envisaged that their prevalence may change with the development of society. The aim of this study is to determine the prevalence of refractive errors using calculations based on the Gullstrand schematic eye model. We used the Gullstrand schematic eye model to calculate refraction retrospectively. Refraction was presented as the need for glasses correction at a vertex distance of 12 mm. The necessary data was obtained using the optical biometer Lenstar LS900. Data which could not be obtained due to the limitations of the device was substituted by theoretical data from the Gullstrand schematic eye model. Only analyses from the right eyes were presented. The data was interpreted using descriptive statistics, Pearson correlation and t-test. The statistical tests were conducted at a level of significance of 5%. Our sample included 1663 patients (665 male, 998 female) within the age range of 19 to 96 years. Average age was 70.8 ± 9.53 years. Average refraction of the eye was 2.73 ± 2.13D (males 2.49 ± 2.34, females 2.90 ± 2.76). The mean absolute error from emmetropia was 3.01 ± 1.58 (males 2.83 ± 2.95, females 3.25 ± 3.35). 89.06% of the sample was hyperopic, 6.61% was myopic and 4.33% emmetropic. We did not find any correlation between refraction and age. Females were more hyperopic than males. We did not find any statistically significant hypermetopic shift of refraction with age. According to our estimation, the calculations of refractive errors using the Gullstrand schematic eye model showed a significant hypermetropic shift of more than +2D. Our results could be used in future for comparing the prevalence of refractive errors using same methods we used.Key words: refractive errors, refraction, Gullstrand schematic eye model, population, emmetropia.
Study of neutron shell structure of even-even 40-56Ca isotopes by the dispersive optical model
International Nuclear Information System (INIS)
Bespalova, O.V.; Boboshin, I.N.; Varlamov, V.V.; Ermakova, T.A.; Ishkhanov, B.S.; Romanovskij, E.A.; Spasskaya, T.I.; Timokhina, T.P.
2005-01-01
The single-particle energies and occupation probabilities of the bound neutron states in 40,42,44,46,48 Ca isotopes were obtained by the joint evaluation of the stripping and pick-up reaction data. The results were analyzed by the dispersive optical model and a good agreement was achieved. The dispersive optical potential was extrapolated to unstable 50,52,54,56 Ca nuclei. The calculated single-particle energies of the bound neutron states in unstable Ca isotopes were compared with the nuclear shell-model calculations, which predicted new magic number N = 34 for nuclei with Z = 20 [ru
International Nuclear Information System (INIS)
Wilmore, D.; Hodgson, P.E.
1976-01-01
The purpose of this paper is to provide a guide to the use of optical model computer programs to analyse and calculate neutron data. After a brief discussion of the physical basis of the optical model a survey is given of the most widely used optical model and Hauser-Feshbach computer programs. The range of applicability and reliability of the major optical potentials proposed is assessed by comparison with available experimental data and some observations and suggestions are made for the optimum choice of optical potentials for given purposes of neutron data calculations. (author)
Quark model calculations of current correlators in the nonperturbative domain
International Nuclear Information System (INIS)
Celenza, L.S.; Shakin, C.M.; Sun, W.D.
1995-01-01
The authors study the vector-isovector current correlator in this work, making use of a generalized Nambu-Jona-Lasinio (NJL) model. In their work, the original NJL model is extended to describe the coupling of the quark-antiquark states to the two-pion continuum. Further, a model for confinement is introduced that is seen to remove the nonphysical cuts that appear in various amplitudes when the quark and antiquark go on mass shell. Quite satisfactory results are obtained for the correlator. The authors also use the correlator to define a T-matrix for confined quarks and discuss a rho-dominance model for that T-matrix. It is also seen that the Bethe-Salpeter equation that determines the rho mass (in the absence of the coupling to the two-pion continuum) has more satisfactory behavior in the generalized model than in the model without confinement. That improved behavior is here related to the absence of the q bar q cut in the basic quark-loop integral of the generalized model. In this model, it is seen how one may work with both quark and hadron degrees of freedom, with only the hadrons appearing as physical particles. 12 refs., 16 figs., 1 tab
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
Long-Term Calculations with Large Air Pollution Models
DEFF Research Database (Denmark)
Ambelas Skjøth, C.; Bastrup-Birk, A.; Brandt, J.
1999-01-01
Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998......Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998...
Improving Estimated Optical Constants With MSTM and DDSCAT Modeling
Pitman, K. M.; Wolff, M. J.
2015-12-01
We present numerical experiments to determine quantitatively the effects of mineral particle clustering on Mars spacecraft spectral signatures and to improve upon the values of refractive indices (optical constants n, k) derived from Mars dust laboratory analog spectra such as those from RELAB and MRO CRISM libraries. Whereas spectral properties for Mars analog minerals and actual Mars soil are dominated by aggregates of particles smaller than the size of martian atmospheric dust, the analytic radiative transfer (RT) solutions used to interpret planetary surfaces assume that individual, well-separated particles dominate the spectral signature. Both in RT models and in the refractive index derivation methods that include analytic RT approximations, spheres are also over-used to represent nonspherical particles. Part of the motivation is that the integrated effect over randomly oriented particles on quantities such as single scattering albedo and phase function are relatively less than for single particles. However, we have seen in previous numerical experiments that when varying the shape and size of individual grains within a cluster, the phase function changes in both magnitude and slope, thus the "relatively less" effect is more significant than one might think. Here we examine the wavelength dependence of the forward scattering parameter with multisphere T-matrix (MSTM) and discrete dipole approximation (DDSCAT) codes that compute light scattering by layers of particles on planetary surfaces to see how albedo is affected and integrate our model results into refractive index calculations to remove uncertainties in approximations and parameters that can lower the accuracy of optical constants. By correcting the single scattering albedo and phase function terms in the refractive index determinations, our data will help to improve the understanding of Mars in identifying, mapping the distributions, and quantifying abundances for these minerals and will address long
Shi, Guangsha
Solar electricity is a reliable and environmentally friendly method of sustainable energy production and a realistic alternative to conventional fossil fuels. Moreover, thermoelectric energy conversion is a promising technology for solid-state refrigeration and efficient waste-heat recovery. Predicting and optimizing new photovoltaic and thermoelectric materials composed of Earth-abundant elements that exceed the current state of the art, and understanding how nanoscale structuring and ordering improves their energy conversion efficiency pose a challenge for materials scientists. I approach this challenge by developing and applying predictive high-performance computing methods to guide research and development of new materials for energy-conversion applications. Advances in computer-simulation algorithms and high-performance computing resources promise to speed up the development of new compounds with desirable properties and significantly shorten the time delay between the discovery of new materials and their commercial deployment. I present my calculated results on the extraordinary properties of nanostructured semiconductor materials, including strong visible-light absorbance in nanoporous silicon and few-layer SnSe and GeSe. These findings highlight the capability of nanoscale structuring and ordering to improve the performance of Earth-abundant materials compared to their bulk counterparts for solar-cell applications. I also successfully identified the dominant mechanisms contributing to free-carrier absorption in n-type silicon. My findings help evaluate the impact of the energy loss from this absorption mechanism in doped silicon and are thus important for the design of silicon solar cells. In addition, I calculated the thermoelectric transport properties of p-type SnSe, a bulk material with a record thermoelectric figure of merit. I predicted the optimal temperatures and free-carrier concentrations for thermoelectric energy conversion, as well the
Linking Aerosol Optical Properties Between Laboratory, Field, and Model Studies
Murphy, S. M.; Pokhrel, R. P.; Foster, K. A.; Brown, H.; Liu, X.
2017-12-01
The optical properties of aerosol emissions from biomass burning have a significant impact on the Earth's radiative balance. Based on measurements made during the Fourth Fire Lab in Missoula Experiment, our group published a series of parameterizations that related optical properties (single scattering albedo and absorption due to brown carbon at multiple wavelengths) to the elemental to total carbon ratio of aerosols emitted from biomass burning. In this presentation, the ability of these parameterizations to simulate the optical properties of ambient aerosol is assessed using observations collected in 2017 from our mobile laboratory chasing wildfires in the Western United States. The ambient data includes measurements of multi-wavelength absorption, scattering, and extinction, size distribution, chemical composition, and volatility. In addition to testing the laboratory parameterizations, this combination of measurements allows us to assess the ability of core-shell Mie Theory to replicate observations and to assess the impact of brown carbon and mixing state on optical properties. Finally, both laboratory and ambient data are compared to the optical properties generated by a prominent climate model (Community Earth System Model (CESM) coupled with the Community Atmosphere Model (CAM 5)). The discrepancies between lab observations, ambient observations and model output will be discussed.
A review of Higgs mass calculations in supersymmetric models
DEFF Research Database (Denmark)
Draper, P.; Rzehak, H.
2016-01-01
The discovery of the Higgs boson is both a milestone achievement for the Standard Model and an exciting probe of new physics beyond the SM. One of the most important properties of the Higgs is its mass, a number that has proven to be highly constraining for models of new physics, particularly those...... related to the electroweak hierarchy problem. Perhaps the most extensively studied examples are supersymmetric models, which, while capable of producing a 125 GeV Higgs boson with SM-like properties, do so in non-generic parts of their parameter spaces. We review the computation of the Higgs mass...
International Nuclear Information System (INIS)
Araújo-Filho, Adailton A.; Silva, Fábio L.R.; Righi, Ariete; Silva, Mauricélio B. da; Silva, Bruno P.; Caetano, Ewerton W.S.; Freire, Valder N.
2017-01-01
Powder samples of bulk monoclinic sodium trititanate Na 2 Ti 3 O 7 were prepared carefully by solid state reaction, and its monoclinic P2 1 /m crystal structure and morphology were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. Moreover, the sodium trititanate main energy band gap was estimated as E g =3.51±0.01 eV employing UV–Vis spectroscopy, which is smaller than the measured 3.70 eV energy gap published previously by other authors. Aiming to achieve a better understanding of the experimental data, density functional theory (DFT) computations were performed within the local density and generalized gradient approximations (LDA and GGA, respectively) taking into account dispersion effects through the scheme of Tkatchenko and Scheffler (GGA+TS). Optimal lattice parameters, with deviations relative to measurements Δa=−0.06 Å, Δb=0.02 Å, and Δc=−0.09 Å, were obtained at the GGA level, which was then used to simulate the sodium trititanate electronic and optical properties. Indirect band transitions have led to a theoretical gap energy value of about 3.25 eV. Our results, however, differ from pioneer DFT results with respect to the specific Brillouin zone vectors for which the indirect transition with smallest energy value occurs. Effective masses for electrons and holes were also estimated along a set of directions in reciprocal space. Lastly, our calculations revealed a relatively large degree of optical isotropy for the Na 2 Ti 3 O 7 optical absorption and complex dielectric function. - Graphical abstract: Monoclinic sodium trititanate Na2Ti3O7 was characterized by experiment and dispersion-corrected DFT calculations. An indirect gap of 3.5 eV is predicted, with heavy electrons and anisotropic holes ruling its conductivity. - Highlights: • Monoclinic Na2Ti3O7 was characterized by experiment (XRD, SEM, UV–Vis spectroscopy). • DFT GGA+TS optimized geometry and optoelectronic properties were
An optical channel modeling of a single mode fiber
Nabavi, Neda; Liu, Peng; Hall, Trevor James
2018-05-01
The evaluation of the optical channel model that accurately describes the single mode fibre as a coherent transmission medium is reviewed through analytical, numerical and experimental analysis. We used the numerical modelling of the optical transmission medium and experimental measurements to determine the polarization drift as a function of time for a fixed length of fibre. The probability distribution of the birefringence vector was derived, which is associated to the 'Poole' equation. The theory and experimental evidence that has been disclosed in the literature in the context of polarization mode dispersion - Stokes & Jones formulations and solutions for key statistics by integration of stochastic differential equations has been investigated. Besides in-depth definition of the single-mode fibre-optic channel, the modelling which concerns an ensemble of fibres each with a different instance of environmental perturbation has been analysed.
Modeling and analysis of laser active interference optical path
Shan, Cong-miao; Sun, Hua-yan; Zhao, Yan-zhong; Chen, Jian-biao; Ren, Jian-ying
2017-10-01
By using the geometrical optics and physical optics method, the models of wedge plate interference optical path, Michelson interferometer and Mach Zehnder interferometer thus three different active interference pattern are built. The optical path difference (OPD) launched by different interference patterns, fringe spacing and contrast expression have been derived. The results show that far field interference peak intensity of the wedge plate interference is small, so the detection distance is limited, Michelson interferometer with low contrast affects the performance of detection system, Mach Zehnder interferometer has greater advantages in peak intensity, the variable range of interference fringe spacing and contrast ratio. The results of this study are useful for the theoretical research and practical application of laser active interference detection.
Ionization potential depression and optical spectra in a Debye plasma model
Lin, Chengliang; Röpke, Gerd; Reinholz, Heidi; Kraeft, Wolf-Dietrich
2017-11-01
We show how optical spectra in dense plasmas are determined by the shift of energy levels as well as the broadening owing to collisions with the plasma particles. In lowest approximation, the interaction with the plasma particles is described by the RPA dielectric function, leading to the Debye shift of the continuum edge. The bound states remain nearly un-shifted, their broadening is calculated in Born approximation. The role of ionization potential depression as well as the Inglis-Teller effect are shown. The model calculations have to be improved going beyond the lowest (RPA) approximation when applying to WDM spectra.
A simple model for calculating air pollution within street canyons
Venegas, Laura E.; Mazzeo, Nicolás A.; Dezzutti, Mariana C.
2014-04-01
This paper introduces the Semi-Empirical Urban Street (SEUS) model. SEUS is a simple mathematical model based on the scaling of air pollution concentration inside street canyons employing the emission rate, the width of the canyon, the dispersive velocity scale and the background concentration. Dispersive velocity scale depends on turbulent motions related to wind and traffic. The parameterisations of these turbulent motions include two dimensionless empirical parameters. Functional forms of these parameters have been obtained from full scale data measured in street canyons at four European cities. The sensitivity of SEUS model is studied analytically. Results show that relative errors in the evaluation of the two dimensionless empirical parameters have less influence on model uncertainties than uncertainties in other input variables. The model estimates NO2 concentrations using a simple photochemistry scheme. SEUS is applied to estimate NOx and NO2 hourly concentrations in an irregular and busy street canyon in the city of Buenos Aires. The statistical evaluation of results shows that there is a good agreement between estimated and observed hourly concentrations (e.g. fractional bias are -10.3% for NOx and +7.8% for NO2). The agreement between the estimated and observed values has also been analysed in terms of its dependence on wind speed and direction. The model shows a better performance for wind speeds >2 m s-1 than for lower wind speeds and for leeward situations than for others. No significant discrepancies have been found between the results of the proposed model and that of a widely used operational dispersion model (OSPM), both using the same input information.
Calculation of the fermionic determinant in the Schwinger model
International Nuclear Information System (INIS)
Dias, S.A.; Linhares, C.A.
1991-01-01
We compute explicitly the fermionic determinant and the effective action for the generalized Schwinger model in two dimensions and compare it with respective results for the particular cases of the Schwinger, chiral Schwinger and axial Schwinger models. The parameters that signal the ambiguity in the regularization scheme fo the determinant are introduced through the point-splitting method. The Wess-Zumino functional is also obtained and compared with the known expressions for the above-mentioned particular cases. (author)
International Nuclear Information System (INIS)
Liang, Hongbo; You, Shijun; Zhang, Huan
2016-01-01
A PTC (parabolic trough solar collector) focuses direct solar radiation reflected by the reflector onto a receiver located on its focal line. The solar flux distribution on the absorber is non-uniform generally, thus it needs to carry out optical simulation to analyze the concentrated flux density and optical performance. In this paper, three different optical models based on ray tracing for a PTC were proposed and compared in detail. They were proved to be feasible and reliable in comparison with other literature. Model 1 was based on MCM (Monte Carlo Method). Model 2 initialized photon distribution with FVM (Finite Volume Method), and calculated reflection, transmission, and absorption by means of MCM. Model 3 utilized FVM to determine ray positions initially, while it changed the photon energy by multiplying reflectivity, transmissivity and absorptivity. The runtime and computation effort of Model 3 were approximately 40% and 60% of that of Model 1 in the present work. Moreover, the simulation result of Model 3 was not affected by the algorithm for generating random numbers, however, it needed to take account of suitable grid configurations for different sections of the system. Additionally, effects of varying the geometric parameters for a PTC on optical efficiency were estimated. Effect of offsetting the absorber in width direction of aperture was greater than that in its normal direction at the same offset distance, which was more obvious with offset distance increasing. Furthermore, absorber offset at the opposite direction of tracking error was beneficial for improving optical performance. The larger rim angle (≤90°) was, the less sensitive optical efficiency was to tracking error for the same aperture width of a PTC. In contrast, a larger aperture width was more sensitive to tracking error for a certain rim angle. - Highlights: • Three different optical models for parabolic trough solar collectors were derived. • Their running time, computation
Li, Chang; Wang, Qing; Shi, Wenzhong; Zhao, Sisi
2018-05-01
The accuracy of earthwork calculations that compute terrain volume is critical to digital terrain analysis (DTA). The uncertainties in volume calculations (VCs) based on a DEM are primarily related to three factors: 1) model error (ME), which is caused by an adopted algorithm for a VC model, 2) discrete error (DE), which is usually caused by DEM resolution and terrain complexity, and 3) propagation error (PE), which is caused by the variables' error. Based on these factors, the uncertainty modelling and analysis of VCs based on a regular grid DEM are investigated in this paper. Especially, how to quantify the uncertainty of VCs is proposed by a confidence interval based on truncation error (TE). In the experiments, the trapezoidal double rule (TDR) and Simpson's double rule (SDR) were used to calculate volume, where the TE is the major ME, and six simulated regular grid DEMs with different terrain complexity and resolution (i.e. DE) were generated by a Gauss synthetic surface to easily obtain the theoretical true value and eliminate the interference of data errors. For PE, Monte-Carlo simulation techniques and spatial autocorrelation were used to represent DEM uncertainty. This study can enrich uncertainty modelling and analysis-related theories of geographic information science.
International Nuclear Information System (INIS)
Zemlyanaya, E.V.; Lukyanov, K.V.; Lukyanov, V.K.; Hanna, K.M.
2009-01-01
The microscopic optical potential (OP) is calculated for the K+-meson scattering on the 12 C and 40 Ca nuclei at intermediate energies. This potential has no free parameters and based on the known kaon-nucleon amplitude and nuclear density distribution functions. Then, the Klein-Gordon equation is written in the form of the relativistic Schrodinger equation where terms quadratic in the potential was estimated can be neglected. The latter equations adapted to the considered task and solved numerically. The effect of revitalization is shown to play a significant role. A good agreement with the experimental data on differential elastic cross sections is obtained. However, to explain the data on total reaction cross sections the additional surface term of OP was introduced to account for influence of the peripheral nuclear reaction channels
International Nuclear Information System (INIS)
Maciel, A.K.A.
1977-03-01
The electronic structure of the interstitial hydrogen atom in KF, NaCl, KCl, and RbCl cristals has been studied using the self-consistent-field multiple-scattering Xα method. In the present calculation a cluster constituted by the hydrogen atom surrounded by its first anion and cation neighbors in a cubic shell has been used. The optical transition energies and hyperfine contact parameters with the interstitial proton and the first shell nuclei have been evaluated. The agreement obtained with the experimental data and the relative independence of the method under variations of its intrinsic parameters, indicate that this method can be adequate to the study of defects in ionic cristals. (author) [pt
Wood, R. M.; Saha, D.; McCarthy, L. A.; Tokarski, J. T.; Sanders, G. D.; Kuhns, P. L.; McGill, S. A.; Reyes, A. P.; Reno, J. L.; Stanton, C. J.; Bowers, C. R.
2014-10-01
A combined experimental-theoretical study of optically pumped nuclear magnetic resonance (OPNMR) has been performed in a GaAs /A l0.1G a0.9As quantum well film epoxy bonded to a Si substrate with thermally induced biaxial strain. The photon energy dependence of the Ga OPNMR signal was recorded at magnetic fields of 4.9 and 9.4 T at a temperature of 4.8-5.4 K. The data were compared to the nuclear spin polarization calculated from the electronic structure and differential absorption to spin-up and spin-down states of the electron conduction band using a modified k .p model based on the Pidgeon-Brown model. Comparison of theory with experiment facilitated the assignment of features in the OPNMR energy dependence to specific interband Landau level transitions. The results provide insight into how effects of strain and quantum confinement are manifested in optical nuclear polarization in semiconductors.
An hydrodynamic model for the calculation of oil spills trajectories
Energy Technology Data Exchange (ETDEWEB)
Paladino, Emilio Ernesto; Maliska, Clovis Raimundo [Santa Catarina Univ., Florianopolis, SC (Brazil). Dept. de Engenharia Mecanica. Lab. de Dinamica dos Fluidos Computacionais]. E-mails: emilio@sinmec.ufsc.br; maliska@sinmec.ufsc.br
2000-07-01
The aim of this paper is to present a mathematical model and its numerical treatment to forecast oil spills trajectories in the sea. The knowledge of the trajectory followed by an oil slick spilled on the sea is of fundamental importance in the estimation of potential risks for pipeline and tankers route selection, and in combating the pollution using floating barriers, detergents, etc. In order to estimate these slicks trajectories a new model, based on the mass and momentum conservation equations is presented. The model considers the spreading in the regimes when the inertial and viscous forces counterbalance gravity and takes into account the effects of winds and water currents. The inertial forces are considered for the spreading and the displacement of the oil slick, i.e., is considered its effects on the movement of the mass center of the slick. The mass loss caused by oil evaporation is also taken into account. The numerical model is developed in generalized coordinates, making the model easily applicable to complex coastal geographies. (author)
Uncertain hybrid model for the response calculation of an alternator
International Nuclear Information System (INIS)
Kuczkowiak, Antoine
2014-01-01
The complex structural dynamic behavior of alternator must be well understood in order to insure their reliable and safe operation. The numerical model is however difficult to construct mainly due to the presence of a high level of uncertainty. The objective of this work is to provide decision support tools in order to assess the vibratory levels in operation before to restart the alternator. Based on info-gap theory, a first decision support tool is proposed: the objective here is to assess the robustness of the dynamical response to the uncertain modal model. Based on real data, the calibration of an info-gap model of uncertainty is also proposed in order to enhance its fidelity to reality. Then, the extended constitutive relation error is used to expand identified mode shapes which are used to assess the vibratory levels. The robust expansion process is proposed in order to obtain robust expanded mode shapes to parametric uncertainties. In presence of lack-of knowledge, the trade-off between fidelity-to-data and robustness-to-uncertainties which expresses that robustness improves as fidelity deteriorates is emphasized on an industrial structure by using both reduced order model and surrogate model techniques. (author)
A Fourier Optical Model for the Laser Doppler Velocimeter
DEFF Research Database (Denmark)
Lading, Lars
1972-01-01
The treatment is based on a fourier optical model. It is shown how the various configurations (i.e. ldquodifferential moderdquo and reference beam mode with both one and two incident beams) are incorporated in the model, and how it can be extended to three dimensions. The particles are represented...... filtering ability vanishes as the aperture size converges towards zero. The results based on fourier optics are compared with the rough estimates obtainable by using the "antenna formular" for heterodyning (ArΩr≈λ2)....
ABC Algorithm based Fuzzy Modeling of Optical Glucose Detection
Directory of Open Access Journals (Sweden)
SARACOGLU, O. G.
2016-08-01
Full Text Available This paper presents a modeling approach based on the use of fuzzy reasoning mechanism to define a measured data set obtained from an optical sensing circuit. For this purpose, we implemented a simple but effective an in vitro optical sensor to measure glucose content of an aqueous solution. Measured data contain analog voltages representing the absorbance values of three wavelengths measured from an RGB LED in different glucose concentrations. To achieve a desired model performance, the parameters of the fuzzy models are optimized by using the artificial bee colony (ABC algorithm. The modeling results presented in this paper indicate that the fuzzy model optimized by the algorithm provide a successful modeling performance having the minimum mean squared error (MSE of 0.0013 which are in clearly good agreement with the measurements.
Model for calculation of concentration and load on behalf of accidents with radioactive materials
International Nuclear Information System (INIS)
Janssen, L.A.M.; Heugten, W.H.H. van
1987-04-01
In the project 'Information- and calculation-system for disaster combatment', by order of the Dutch government, a demonstration model has been developed for a diagnosis system for accidents. In this demonstration a model is used to calculate the concentration- and dose-distributions caused by incidental emissions of limited time. This model is described in this report. 4 refs.; 2 figs.; 3 tabs
International Nuclear Information System (INIS)
Seehafer, N.; Hildebrandt, J.; Krueger, A.; Akhmedov, Sh.; Gel'frejkh, G.B.
1983-01-01
Extensive model calculations of solar radio emission features were presented for the complex of solar active regions Hale No 16862, 16863, and 16864 on May 27, 1980 using force-free extrapolated magnetic fields with constant α and a treatment of radiative transfer of S-component emission. The photospheric magnetic field data were taken from magnetographic measurements whereas the required height distribution of temperature and electron density have been adopted from semi-empirical sunspot models based on recent X-, EUV-, optical, and radio observations. In contrast to the simpler magnetic field structure used in other studies, the complex source structure of the S-component emission is clearly represented by other characteristics. The results of the calculations are compared with the observations of the WRST (6 cm) and RATAN-600 (3.2 cm). (author)
Establishing a cat model of acute optic nerve injury
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
BACKGROUND: In order to investigate the progress in optic nerve injury and the following regeneration and repair, many kinds of animal models of optic nerve injury have been established, such as models of acute and chronic ocular hypertension, compression, amputating wound, ischemia reperfusion or hypoxia,intravitreal injection of excitatory amino acids, etc. However, most of these models are established by squeezing intraorbital optic nerve, and suitable for ophthalmology, and there are fewer models suitable for the acute cranial contusion in neurosurgery.OBJECTIVE: To observe the changes of optic nerve after acute injury, and the characteristics of methods for establishing model of acute optic nerve injury in cats.DESIGN: A complete randomized grouping and controlled animal trial.SETTING: Department of Neurosurgery, General Hospital of Ji'nan Military Area Command of Chinese PLA.MATERIALS: Twenty-eight healthy adult cats, common degree, either sex, weighing 2.0 - 3.5 kg, were provided by the animal experimental center of Fudan University. The cats were randomly divided into control group (n =3) and model group (n =25), and 5 cats in the model group were observed at 6 hours and 1,3, 7 and 14 days after injury respectively. JX-2000 biological signal processing system (Department of Physiology, Second Military Medical University of Chinese PLA, Shanghai); Inverted phase contrast microscope (Olympus); Axioplan 2 imaging microgram analytical system (Labsystems).METHODS: The experiments were carried out in the Department of Neurosurgery, General Hospital of Jinan Military Area Command of Chinese PLA from June 2004 to June 2005. The cats in the model groups were made into models of acute optic nerve injury: The cats were anesthetized, then the limbs were fixed in a lateral recumbent position. Pterion approach in human was imitated, the operative incision was made along the line between lateral canthus and tragus, and it could be seen deep along the skull base that white
A calculation model for the noise from steel railway bridges
Janssens, M.H.A.; Thompson, D.J.
1996-01-01
The sound level of a train crossing a steel railway bridge is usually about 10 dB higher than on plain track. In the Netherlands there are many such bridges which, for practical reasons, cannot be replaced by more intrinsically quiet concrete bridges. A computational model is described for the
Reactor accident calculation models in use in the Nordic countries
International Nuclear Information System (INIS)
Tveten, U.
1984-01-01
The report relates to a subproject under a Nordic project called ''Large reactor accidents - consequences and mitigating actions''. In the first part of the report short descriptions of the various models are given. A systematic list by subject is then given. In the main body of the report chapter and subchapter headings are by subject. (Auth.)
A calculation model for a HTR core seismic response
International Nuclear Information System (INIS)
Buland, P.; Berriaud, C.; Cebe, E.; Livolant, M.
1975-01-01
The paper presents the experimental results obtained at Saclay on a HTGR core model and comparisons with analytical results. Two series of horizontal tests have been performed on the shaking table VESUVE: sinusoidal test and time history response. Acceleration of graphite blocks, forces on the boundaries, relative displacement of the core and PCRB model, impact velocity of the blocks on the boundaries were recorded. These tests have shown the strongly non-linear dynamic behaviour of the core. The resonant frequency of the core is dependent on the level of the excitation. These phenomena have been explained by a computer code, which is a lumped mass non-linear model. Good correlation between experimental and analytical results was obtained for impact velocities and forces on the boundaries. This comparison has shown that the damping of the core is a critical parameter for the estimation of forces and velocities. Time history displacement at the level of PCRV was reproduced on the shaking table. The analytical model was applied to this excitation and good agreement was obtained for forces and velocities. (orig./HP) [de
Glass viscosity calculation based on a global statistical modelling approach
Energy Technology Data Exchange (ETDEWEB)
Fluegel, Alex
2007-02-01
A global statistical glass viscosity model was developed for predicting the complete viscosity curve, based on more than 2200 composition-property data of silicate glasses from the scientific literature, including soda-lime-silica container and float glasses, TV panel glasses, borosilicate fiber wool and E type glasses, low expansion borosilicate glasses, glasses for nuclear waste vitrification, lead crystal glasses, binary alkali silicates, and various further compositions from over half a century. It is shown that within a measurement series from a specific laboratory the reported viscosity values are often over-estimated at higher temperatures due to alkali and boron oxide evaporation during the measurement and glass preparation, including data by Lakatos et al. (1972) and the recently published High temperature glass melt property database for process modeling by Seward et al. (2005). Similarly, in the glass transition range many experimental data of borosilicate glasses are reported too high due to phase separation effects. The developed global model corrects those errors. The model standard error was 9-17°C, with R^2 = 0.985-0.989. The prediction 95% confidence interval for glass in mass production largely depends on the glass composition of interest, the composition uncertainty, and the viscosity level. New insights in the mixed-alkali effect are provided.
Semiclassical calculation for collision induced dissociation. II. Morse oscillator model
International Nuclear Information System (INIS)
Rusinek, I.; Roberts, R.E.
1978-01-01
A recently developed semiclassical procedure for calculating collision induced dissociation probabilities P/sup diss/ is applied to the collinear collision between a particle and a Morse oscillator diatomic. The particle--diatom interaction is described with a repulsive exponential potential function. P/sup diss/ is reported for a system of three identical particles, as a function of collision energy E/sub t/ and initial vibrational state of the diatomic n 1 . The results are compared with the previously reported values for the collision between a particle and a truncated harmonic oscillator. The two studies show similar features, namely: (a) there is an oscillatory structure in the P/sup diss/ energy profiles, which is directly related to n 1 ; (b) P/sup diss/ becomes noticeable (> or approx. =10 -3 ) for E/sub t/ values appreciably higher than the energetic threshold; (c) vibrational enhancement (inhibition) of collision induced dissociation persists at low (high) energies; and (d) good agreement between the classical and semiclassical results is found above the classical dynamic threshold. Finally, the convergence of P/sup diss/ for increasing box length is shown to be rapid and satisfactory
Munro, Peter R T; Ignatyev, Konstantin; Speller, Robert D; Olivo, Alessandro
2010-03-01
X-ray phase contrast imaging is a very promising technique which may lead to significant advancements in medical imaging. One of the impediments to the clinical implementation of the technique is the general requirement to have an x-ray source of high coherence. The radiation physics group at UCL is currently developing an x-ray phase contrast imaging technique which works with laboratory x-ray sources. Validation of the system requires extensive modelling of relatively large samples of tissue. To aid this, we have undertaken a study of when geometrical optics may be employed to model the system in order to avoid the need to perform a computationally expensive wave optics calculation. In this paper, we derive the relationship between the geometrical and wave optics model for our system imaging an infinite cylinder. From this model we are able to draw conclusions regarding the general applicability of the geometrical optics approximation.
Approximate models for neutral particle transport calculations in ducts
International Nuclear Information System (INIS)
Ono, Shizuca
2000-01-01
The problem of neutral particle transport in evacuated ducts of arbitrary, but axially uniform, cross-sectional geometry and isotropic reflection at the wall is studied. The model makes use of basis functions to represent the transverse and azimuthal dependences of the particle angular flux in the duct. For the approximation in terms of two basis functions, an improvement in the method is implemented by decomposing the problem into uncollided and collided components. A new quadrature set, more suitable to the problem, is developed and generated by one of the techniques of the constructive theory of orthogonal polynomials. The approximation in terms of three basis functions is developed and implemented to improve the precision of the results. For both models of two and three basis functions, the energy dependence of the problem is introduced through the multigroup formalism. The results of sample problems are compared to literature results and to results of the Monte Carlo code, MCNP. (author)
Aeroelastic Calculations Using CFD for a Typical Business Jet Model
Gibbons, Michael D.
1996-01-01
Two time-accurate Computational Fluid Dynamics (CFD) codes were used to compute several flutter points for a typical business jet model. The model consisted of a rigid fuselage with a flexible semispan wing and was tested in the Transonic Dynamics Tunnel at NASA Langley Research Center where experimental flutter data were obtained from M(sub infinity) = 0.628 to M(sub infinity) = 0.888. The computational results were computed using CFD codes based on the inviscid TSD equation (CAP-TSD) and the Euler/Navier-Stokes equations (CFL3D-AE). Comparisons are made between analytical results and with experiment where appropriate. The results presented here show that the Navier-Stokes method is required near the transonic dip due to the strong viscous effects while the TSD and Euler methods used here provide good results at the lower Mach numbers.
Model calculation of the scanned field enhancement factor of CNTs
International Nuclear Information System (INIS)
Ahmad, Amir; Tripathi, V K
2006-01-01
The field enhancement factor of a carbon nanotube (CNT) placed in a cluster of CNTs is smaller than an isolated CNT because the electric field on one tube is screened by neighbouring tubes. This screening depends on the length of the CNTs and the spacing between them. We have derived an expression to compute the field enhancement factor of CNTs under any positional distribution of CNTs using a model of a floating sphere between parallel anode and cathode plates. Using this expression we can compute the field enhancement factor of a CNT in a cluster (non-uniformly distributed CNTs). This expression is used to compute the field enhancement factor of a CNT in an array (uniformly distributed CNTs). Comparison has been shown with experimental results and existing models
Quark model calculation of charmed baryon production by neutrinos
International Nuclear Information System (INIS)
Avilez, C.; Kobayashi, T.; Koerner, J.G.
1976-11-01
We study the neutrino production of 25 low-lying charmed baryon resonances in the four flavour quark model. The mass difference of ordinary and charmed quarks is explicitly taken into account. The quark model is used to determine the spectrum of the charmed baryon resonances and the q 2 = 0 values of the weak current transition matrix elements. These transition matrix elements are then continued to space-like q 2 -values by a generalized meson dominance ansatz for a set of suitably chosen invariant form factors. We find that the production of the L = 0 states C 0 , C 1 and C 1 * is dominant, with the C 0 produced most copiously. For L = 1, 2 the Jsup(P) = 3/2 - 5/2 + charm states are dominant. We give differential cross sections, total cross sections and energy integrated total cross sections using experimental neutrino fluxes. (orig./BJ) [de
Optical model and calibration of a sun tracker
International Nuclear Information System (INIS)
Volkov, Sergei N.; Samokhvalov, Ignatii V.; Cheong, Hai Du; Kim, Dukhyeon
2016-01-01
Sun trackers are widely used to investigate scattering and absorption of solar radiation in the Earth's atmosphere. We present a method for optimization of the optical altazimuth sun tracker model with output radiation direction aligned with the axis of a stationary spectrometer. The method solves the problem of stability loss in tracker pointing at the Sun near the zenith. An optimal method for tracker calibration at the measurement site is proposed in the present work. A method of moving calibration is suggested for mobile applications in the presence of large temperature differences and errors in the alignment of the optical system of the tracker. - Highlights: • We present an optimal optical sun tracker model for atmospheric spectroscopy. • The problem of loss of stability of tracker pointing at the Sun has been solved. • We propose an optimal method for tracker calibration at a measurement site. • Test results demonstrate the efficiency of the proposed optimization methods.
Optical Coherence Tomography: Modeling and Applications
DEFF Research Database (Denmark)
Thrane, Lars
this system. A demonstration of the imaging capabilities of the OCT system is given. Moreover, a novel truereflection OCT imaging algorithm, based on the new OCT model presented in this thesis, is demonstrated. Finally, a theoretical analysis of the Wigner phase-space distribution function for the OCT...... geometry, i.e., reflection geometry, is developed. As in the new OCT model, multiple scattered photons has been taken into account together with multiple scattering effects. As an important result, a novel method of creating images based on measurements of the momentum width of the Wigner phase...
Microscopic calculation of parameters of the sdg interacting boson model for 104-110Pd isotopes
International Nuclear Information System (INIS)
Liu Yong
1995-01-01
The parameters of the sdg interacting boson model Hamiltonian are calculated for the 104-110 Pd isotopes. The calculations utilize the microscopic procedure based on the Dyson boson mapping proposed by Yang-Liu-Qi and extended to include the g boson effects. The calculated parameters reproduce those values from the phenomenological fits. The resulting spectra are compared with the experimental spectra
Electron Correlation Models for Optical Activity
DEFF Research Database (Denmark)
Höhn, E. G.; O. E. Weigang, Jr.
1968-01-01
A two-system no-overlap model for rotatory strength is developed for electric-dipole forbidden as well as allowed transitions. General equations which allow for full utilization of symmetry in the chromophore and in the environment are obtained. The electron correlation terms are developed in full...
Jutte, Christine V.; Ko, William L.; Stephens, Craig A.; Bakalyar, John A.; Richards, W. Lance
2011-01-01
A ground loads test of a full-scale wing (175-ft span) was conducted using a fiber optic strain-sensing system to obtain distributed surface strain data. These data were input into previously developed deformed shape equations to calculate the wing s bending and twist deformation. A photogrammetry system measured actual shape deformation. The wing deflections reached 100 percent of the positive design limit load (equivalent to 3 g) and 97 percent of the negative design limit load (equivalent to -1 g). The calculated wing bending results were in excellent agreement with the actual bending; tip deflections were within +/- 2.7 in. (out of 155-in. max deflection) for 91 percent of the load steps. Experimental testing revealed valuable opportunities for improving the deformed shape equations robustness to real world (not perfect) strain data, which previous analytical testing did not detect. These improvements, which include filtering methods developed in this work, minimize errors due to numerical anomalies discovered in the remaining 9 percent of the load steps. As a result, all load steps attained +/- 2.7 in. accuracy. Wing twist results were very sensitive to errors in bending and require further development. A sensitivity analysis and recommendations for fiber implementation practices, along with, effective filtering methods are included
Building better optical model potentials for nuclear astrophysics applications
International Nuclear Information System (INIS)
Bauge, Eric; Dupuis, Marc
2004-01-01
In nuclear astrophysics, optical model potentials play an important role, both in the nucleosynthesis models, and in the interpretation of astrophysics related nuclear physics measurements. The challenge of nuclear astrophysics resides in the fact that it involves many nuclei far from the stability line, implying than very few (if any) experimental results are available for these nuclei. The answer to this challenge is a heavy reliance on microscopic optical models with solid microscopic physics foundations that can predict the relevant physical quantities with good accuracy. This use of microscopic information limits the likelihood of the model failing spectacularly (except if some essential physics was omitted in the modeling) when extrapolating away from the stability line, in opposition to phenomenological models which are only suited for interpolation between measured data points and not for extrapolating towards unexplored areas of the chart of the nuclides.We will show how these microscopic optical models are built, how they link to our present knowledge of nuclear structure, and how they affect predictions of nuclear astrophysics models and the interpretation of some key nuclear physics measurements for astrophysics
Static model calculation of pion-nucleon scattering
International Nuclear Information System (INIS)
Itoh, Takashi
1975-01-01
The p-wave pion-nucleon scattering phase-shifts are computed by the Chew-Low static model for pion incident energy of 0-300 MeV. The square of the unrenormalized coupling constant is taken to be f 2 =0.2, and the cutoff is made at k sub(max)=6μ. The computed 3,3 phase-shift passes through 90 deg about at the right energy. The other phase-shifts computed are small in rough agreement with experiment. (auth.)
Simplified models for radiational losses calculating a tokamak plasma
International Nuclear Information System (INIS)
Arutiunov, A.B.; Krasheninnikov, S.I.; Prokhorov, D.Yu.
1990-01-01
To determine the magnitudes and profiles of radiational losses in a Tokamak plasma, particularly for high plasma densities, when formation of MARFE or detached-plasma takes place, it is necessary to know impurity distribution over the ionization states. Equations describing time evolution of this distribution are rather cumbersome, besides that, transport coefficients as well as rate constants of the processes involving complex ions are known nowadays with high degree of uncertainty, thus it is believed necessary to develop simplified, half-analytical models describing time evolution of the impurities analysis of physical processes taking place in a Tokamak plasma on the base of the experimental data. (author) 6 refs., 2 figs
Nuclear matter calculations with a pseudoscalar-pseudovector chiral model
Energy Technology Data Exchange (ETDEWEB)
Niembro, R.; Marcos, S.; Bernardos, P. [University of Cantabria, Faculty of Sciences, Department of Modern Physics, 39005 Santander (Spain); Fomenko, V.N. [St Petersburg University for Railway Engineering, Department of Mathematics, 197341 St Petersburg (Russian Federation); Savushkin, L.N. [St Petersburg University for Telecomunications, Department of Physics, 191065 St Petersburg (Russian Federation); Lopez-Quelle, M. [University of Cantabria, Faculty of Sciences, Department of Applied Physics, 39005 Santander, Spain (Spain)
1998-10-01
A mixed pseudoscalar-pseudovector {pi}N coupling relativistic Lagrangian is obtained from a pure pseudoscalar chiral one, by transforming the nucleon field according to a generalized Weinberg transformation, which depends on a mixing parameter. The interaction is generated by the {sigma}, {omega} and {pi} meson exchanges. Within the Hartree-Fock context, pion polarization effects, including the {delta} isobar, are considered in the random phase approximation in nuclear matter. These effects are interpreted, in a non-relativistic framework, as a modification of the range and intensity of a Yukawa-type potential by means of a simple function which takes into account the nucleon-hole and {delta}-hole excitations. Results show stability of relativistic nuclear matter against pion condensation. Compression modulus is diminished by the combined effects of the nucleon and {delta} polarization towards the usually accepted experimental values. The {pi}N interaction strength used in this paper is less than the conventional one to ensure the viability of the model. The fitting parameters of the model are the scalar meson mass m{sub {sigma}} and the {omega}-N coupling constant g{sub {omega}}. (author)
Predictive Modelling Risk Calculators and the Non Dialysis Pathway.
Robins, Jennifer; Katz, Ivor
2013-04-16
This guideline will review the current prediction models and survival/mortality scores available for decision making in patients with advanced kidney disease who are being considered for a non-dialysis treatment pathway. Risk prediction is gaining increasing attention with emerging literature suggesting improved patient outcomes through individualised risk prediction (1). Predictive models help inform the nephrologist and the renal palliative care specialists in their discussions with patients and families about suitability or otherwise of dialysis. Clinical decision making in the care of end stage kidney disease (ESKD) patients on a non-dialysis treatment pathway is currently governed by several observational trials (3). Despite the paucity of evidence based medicine in this field, it is becoming evident that the survival advantages associated with renal replacement therapy in these often elderly patients with multiple co-morbidities and limited functional status may be negated by loss of quality of life (7) (6), further functional decline (5, 8), increased complications and hospitalisations. This article is protected by copyright. All rights reserved.
Classification of scalar and dyadic nonlocal optical response models
DEFF Research Database (Denmark)
Wubs, Martijn
2015-01-01
Nonlocal optical response is one of the emerging effects on the nanoscale for particles made of metals or doped semiconductors. Here we classify and compare both scalar and tensorial nonlocal response models. In the latter case the nonlocality can stem from either the longitudinal response...
Modelling exciton–phonon interactions in optically driven quantum dots
DEFF Research Database (Denmark)
Nazir, Ahsan; McCutcheon, Dara
2016-01-01
We provide a self-contained review of master equation approaches to modelling phonon effects in optically driven self-assembled quantum dots. Coupling of the (quasi) two-level excitonic system to phonons leads to dissipation and dephasing, the rates of which depend on the excitation conditions...
Mathematical model of an optically pumped molecular laser
CSIR Research Space (South Africa)
Botha, LR
2009-07-01
Full Text Available A mathematical model was developed that accurately predicts the performance of an optically pumped HBr laser. Relatively high conversion efficiency was achieved. Tm pumped Ho:YLF is a viable source for pumping HBr laser, while HBr can be scaled...
Features of optical modeling in educational and scientific activity ...
African Journals Online (AJOL)
The article discusses the functionality of existing software for the modeling, analysis and optimization of lighting systems and optical elements, through which the stage of their design can be automated completely. The use of these programs is shown using the example of scientific work and the educational activity of ...
Model of optical response of marine aerosols to Forbush decreases
DEFF Research Database (Denmark)
Bondo, Torsten; Enghoff, Martin Andreas Bødker; Svensmark, Henrik
2010-01-01
In order to elucidate the effect of galactic cosmic rays on cloud formation, we investigate the optical response of marine aerosols to Forbush decreases - abrupt decreases in galactic cosmic rays - by means of modeling. We vary the nucleation rate of new aerosols, in a sectional coagulation...
Modeling light–tissue interaction in optical coherence tomography systems
DEFF Research Database (Denmark)
Andersen, Peter E.; Jørgensen, Thomas Martini; Thrane, Lars
2015-01-01
Optical coherence tomography (OCT) performs high-resolution, cross-sectional tomographic imaging of the internal tissue microstructure by measuring backscattered or backreflected light. The scope of this chapter is to present analytical and numerical models that are able to describe light-tissue ...
The curvature calculation mechanism based on simple cell model.
Yu, Haiyang; Fan, Xingyu; Song, Aiqi
2017-07-20
A conclusion has not yet been reached on how exactly the human visual system detects curvature. This paper demonstrates how orientation-selective simple cells can be used to construct curvature-detecting neural units. Through fixed arrangements, multiple plurality cells were constructed to simulate curvature cells with a proportional output to their curvature. In addition, this paper offers a solution to the problem of narrow detection range under fixed resolution by selecting an output value under multiple resolution. Curvature cells can be treated as concrete models of an end-stopped mechanism, and they can be used to further understand "curvature-selective" characteristics and to explain basic psychophysical findings and perceptual phenomena in current studies.
Cucinotta, Francis A.; Yan, Congchong; Saganti, Premkumar B.
2018-01-01
Heavy ion absorption cross sections play an important role in radiation transport codes used in risk assessment and for shielding studies of galactic cosmic ray (GCR) exposures. Due to the GCR primary nuclei composition and nuclear fragmentation leading to secondary nuclei heavy ions of charge number, Z with 3 ≤ Z ≥ 28 and mass numbers, A with 6 ≤ A ≥ 60 representing about 190 isotopes occur in GCR transport calculations. In this report we describe methods for developing a data-base of isotopic dependent heavy ion absorption cross sections for interactions. Calculations of a 2nd-order optical model solution to coupled-channel solutions to the Eikonal form of the nucleus-nucleus scattering amplitude are compared to 1st-order optical model solutions. The 2nd-order model takes into account two-body correlations in the projectile and target ground-states, which are ignored in the 1st-order optical model. Parameter free predictions are described using one-body and two-body ground state form factors for the isotopes considered and the free nucleon-nucleon scattering amplitude. Root mean square (RMS) matter radii for protons and neutrons are taken from electron and muon scattering data and nuclear structure models. We report on extensive comparisons to experimental data for energy-dependent absorption cross sections for over 100 isotopes of elements from Li to Fe interacting with carbon and aluminum targets. Agreement between model and experiments are generally within 10% for the 1st-order optical model and improved to less than 5% in the 2nd-order optical model in the majority of comparisons. Overall the 2nd-order optical model leads to a reduction in absorption compared to the 1st-order optical model for heavy ion interactions, which influences estimates of nuclear matter radii.
Influence of FRAPCON-1 evaluation models on fuel behavior calculations for commercial power reactors
International Nuclear Information System (INIS)
Chambers, R.; Laats, E.T.
1981-01-01
A preliminary set of nine evaluation models (EMs) was added to the FRAPCON-1 computer code, which is used to calculate fuel rod behavior in a nuclear reactor during steady-state operation. The intent was to provide an audit code to be used in the United States Nuclear Regulatory Commission (NRC) licensing activities when calculations of conservative fuel rod temperatures are required. The EMs place conservatisms on the calculation of rod temperature by modifying the calculation of rod power history, fuel and cladding behavior models, and materials properties correlations. Three of the nine EMs provide either input or model specifications, or set the reference temperature for stored energy calculations. The remaining six EMs were intended to add thermal conservatism through model changes. To determine the relative influence of these six EMs upon fuel behavior calculations for commercial power reactors, a sensitivity study was conducted. That study is the subject of this paper
Geometrical optics modeling of the grating-slit test.
Liang, Chao-Wen; Sasian, Jose
2007-02-19
A novel optical testing method termed the grating-slit test is discussed. This test uses a grating and a slit, as in the Ronchi test, but the grating-slit test is different in that the grating is used as the incoherent illuminating object instead of the spatial filter. The slit is located at the plane of the image of a sinusoidal intensity grating. An insightful geometrical-optics model for the grating-slit test is presented and the fringe contrast ratio with respect to the slit width and object-grating period is obtained. The concept of spatial bucket integration is used to obtain the fringe contrast ratio.
Quantum Electrostatic Model for Optical Properties of Nanoscale Gold Films
Directory of Open Access Journals (Sweden)
Qian Haoliang
2015-11-01
Full Text Available The optical properties of thin gold films with thickness varying from 2.5 nm to 30 nm are investigated. Due to the quantum size effect, the optical constants of the thin gold film deviate from the Drude model for bulk material as film thickness decreases, especially around 2.5 nm, where the electron energy level becomes discrete. A theory based on the self-consistent solution of the Schrödinger equation and the Poisson equation is proposed and its predictions agree well with experimental results.
User Guide for GoldSim Model to Calculate PA/CA Doses and Limits
International Nuclear Information System (INIS)
Smith, F.
2016-01-01
A model to calculate doses for solid waste disposal at the Savannah River Site (SRS) and corresponding disposal limits has been developed using the GoldSim commercial software. The model implements the dose calculations documented in SRNL-STI-2015-00056, Rev. 0 ''Dose Calculation Methodology and Data for Solid Waste Performance Assessment (PA) and Composite Analysis (CA) at the Savannah River Site''.
User Guide for GoldSim Model to Calculate PA/CA Doses and Limits
Energy Technology Data Exchange (ETDEWEB)
Smith, F. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)
2016-10-31
A model to calculate doses for solid waste disposal at the Savannah River Site (SRS) and corresponding disposal limits has been developed using the GoldSim commercial software. The model implements the dose calculations documented in SRNL-STI-2015-00056, Rev. 0 “Dose Calculation Methodology and Data for Solid Waste Performance Assessment (PA) and Composite Analysis (CA) at the Savannah River Site”.
Modelling the response of quasi-optical corner cube mixers
International Nuclear Information System (INIS)
Kelly, W.M.; Eivers, J.G.; Gans, M.J.
1986-01-01
A three-dimensional modeling technique is developed to analyze and predict the optical performance of Schottky-diode corner-cube/wire-antenna devices for submm-astronomy applications. The model determines the antenna efficiency for the case of Gaussian input beams, and simulations of performance in a variety of configurations can be used to optimize instrument designs. Corner-to-whisker spacing and antenna/beam orientation are found to be the most important coupling parameters. 12 references
A model for calculating expected performance of the Apollo unified S-band (USB) communication system
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.
Improvements to the nuclear model code GNASH for cross section calculations at higher energies
International Nuclear Information System (INIS)
Young, P.G.; Chadwick, M.B.
1994-01-01
The nuclear model code GNASH, which in the past has been used predominantly for incident particle energies below 20 MeV, has been modified extensively for calculations at higher energies. The model extensions and improvements are described in this paper, and their significance is illustrated by comparing calculations with experimental data for incident energies up to 160 MeV
Optical conductivity of the Hubbard model
International Nuclear Information System (INIS)
Vicente Alvarez, J.J.; Balseiro, C.A.; Ceccatto, H.A.
1996-07-01
We study the response to a static electric field (charge stiffness) and the frequency-dependent conductivity of the Hubbard model in a resonant-valence-bond-type paramagnetic phase. This phase is described by means of a charge and spin rotational-invariant approach, based on a mixed fermion-boson representation of the original strongly correlated electrons. We found that the Mott transition at half filling is well described by the charge stiffness behaviour, and that the values for this quantity off half filling agree reasonably well with numerical results. Furthermore, for the frequency-dependent conductivity we trace back the origin of the band which appears inside the Hubbard gap to magnetic pair breaking. This points to a magnetic origin of midinfrared band in high-T c compounds, with no relation to superconductivity. (author). 12 refs, 2 tabs
Cost calculation model concerning small-scale production of chips and split firewood
International Nuclear Information System (INIS)
Ryynaenen, S.; Naett, H.; Valkonen, J.
1995-01-01
The TTS-Institute's Forestry Department has developed a computer-based cost calculation model for the production of wood chips and split firewood. This development work was carried out in conjunction with the nation-wide BIOENERGY -research programme. The said calculation model eases and speeds up the calculation of unit costs and resource needs in harvesting systems for wood chips and split firewood. The model also enables the user to find out how changes in the productivity and costs bases of different harvesting chains influences the unit costs of the system as a whole. The undertaking was composed of the following parts: clarification and modification of productivity bases for application in the model as mathematical models, clarification of machine and device costs bases, designing of the structure and functions of the calculation model, construction and testing of the model's 0-version, model calculations concerning typical chains, review of calculation bases, and charting of development needs focusing on the model. The calculation model was developed to serve research needs, but with further development it could be useful as a tool in forestry and agricultural extension work, related schools and colleges, and in the hands of firewood producers. (author)
Computational Modeling of Ultrafast Pulse Propagation in Nonlinear Optical Materials
Goorjian, Peter M.; Agrawal, Govind P.; Kwak, Dochan (Technical Monitor)
1996-01-01
There is an emerging technology of photonic (or optoelectronic) integrated circuits (PICs or OEICs). In PICs, optical and electronic components are grown together on the same chip. rib build such devices and subsystems, one needs to model the entire chip. Accurate computer modeling of electromagnetic wave propagation in semiconductors is necessary for the successful development of PICs. More specifically, these computer codes would enable the modeling of such devices, including their subsystems, such as semiconductor lasers and semiconductor amplifiers in which there is femtosecond pulse propagation. Here, the computer simulations are made by solving the full vector, nonlinear, Maxwell's equations, coupled with the semiconductor Bloch equations, without any approximations. The carrier is retained in the description of the optical pulse, (i.e. the envelope approximation is not made in the Maxwell's equations), and the rotating wave approximation is not made in the Bloch equations. These coupled equations are solved to simulate the propagation of femtosecond optical pulses in semiconductor materials. The simulations describe the dynamics of the optical pulses, as well as the interband and intraband.
STAX-2, Neutron Scattering Cross-Sections by Optical Model and Moldauer Theory with Hauser-Feshbach
International Nuclear Information System (INIS)
Tomita, Y.
1972-01-01
1 - Nature of physical problem solved: The program calculates neutron scattering cross sections by means of the optical model and Moldauer's theory, and can search for potential parameters which reproduce measured cross sections. The Hauser-Feshbach calculation is also possible. 2 - Restrictions on the complexity of the problem: The maximum number of levels is 25. The largest value of the orbital angular momentum is 10
Welding wire velocity modelling and control using an optical sensor
DEFF Research Database (Denmark)
Nielsen, Kirsten M.; Pedersen, Tom S.
2007-01-01
In this paper a method for controlling the velocity of a welding wire at the tip of the handle is described. The method is an alternative to the traditional welding apparatus control system where the wire velocity is controlled internal in the welding machine implying a poor disturbance reduction....... To obtain the tip velocity a dynamic model of the wire/liner system is developed and verified. In the wire/liner system it turned out that backlash and reflections are influential factors. An idea for handling the backlash has been suggested. In addition an optical sensor for measuring the wire velocity...... at the tip has been constructed. The optical sensor may be used but some problems due to focusing cause noise in the control loop demanding a more precise mechanical wire feed system or an optical sensor with better focusing characteristics....
Development of the model for the stress calculation of fuel assembly under accident load
International Nuclear Information System (INIS)
Kim, Il Kon
1993-01-01
The finite element model for the stress calculation in guide thimbles of a fuel assembly (FA) under seismic and loss-of-coolant-accident (LOCA) load is developed. For the stress calculation of FA under accident load, at first the program MAIN is developed to select the worst bending mode shaped FA from core model. And then the model for the stress calculation of FA is developed by means of the finite element code. The calculated results of program MAIN are used as the kinematic constraints of the finite element model of a FA. Compared the calculated results of the stiffness of the finite element model of FA with the test results they have good agreements. (Author)
Su, Luning; Li, Wei; Wu, Mingxuan; Su, Yun; Guo, Chongling; Ruan, Ningjuan; Yang, Bingxin; Yan, Feng
2017-08-01
Lobster-eye optics is widely applied to space x-ray detection missions and x-ray security checks for its wide field of view and low weight. This paper presents a theoretical model to obtain spatial distribution of focusing efficiency based on lobster-eye optics in a soft x-ray wavelength. The calculations reveal the competition mechanism of contributions to the focusing efficiency between the geometrical parameters of lobster-eye optics and the reflectivity of the iridium film. In addition, the focusing efficiency image depending on x-ray wavelengths further explains the influence of different geometrical parameters of lobster-eye optics and different soft x-ray wavelengths on focusing efficiency. These results could be beneficial to optimize parameters of lobster-eye optics in order to realize maximum focusing efficiency.
International Nuclear Information System (INIS)
Tokheim, R.E.; Seaman, L.; Cooper, T.; Lew, B.; Curran, D.R.; Sanchez, J.; Anderson, A.; Tobin, M.
1996-01-01
The purpose of this work is to computationally assess the threat from shrapnel generation on the National Ignition Facility (NIF) first wall, final optics, and ultimately other target chamber components. Shrapnel is defined as material.that is in a solid, liquid, or clustered-vapor phase with sufficient velocity to become a threat to exposed surfaces as a consequence of its impact. Typical NIF experiments will be of two types, low neutron yield shots in which the capsule is not cryogenically cooled, and high yield shots for which cryogenic cooling of the capsule is required. For non-cryogenic shots, shrapnel would be produced by spaIIing, melting and vaporizing of ''shine shields'' by absorption and shock wave loading following 1-ω and 2-ω laser radiation. For cryogenic shots, shrapnel would be generated through shock wave splitting, spalling, and droplet formation of the cryogenic tubes following neutron energy deposition. Motion of the shrapnel is determined not only by particle velocities resulting from the neutron deposition, but also by both x-ray and debris loading arising from explosion of the hohlraum. Material responses of different target area components are computed from one- dimensional and two-dimensional stress wave propagation codes. Well developed rate-dependent spall computational models are used for stainless steel spall and splitting,. Severe cell distortion is accounted for in shine-shield and hohlraum-loading computations. Resulting distributions of shrapnel particles are traced to the first wall and optics and damage is estimated for candidate materials. First wall and optical material damage from shrapnel includes crater formation and associated extended cracking
Fast neutrons and the optical model: some observations
International Nuclear Information System (INIS)
Smith, A.B.; Lawson, R.D.; Guenther, P.T.
1985-01-01
The optical model of fast-neutron-induced phenomena is considered from the observational viewpoint. Experimental characteristics governing the reliability of the modeling are outlined with attention to implications on model parameters and their uncertainties. The physical characteristics of experimentally-deduced ''regional'' and ''specific'' model parameters are examined including: parameter trends with mass and energy, implications of collective effects, and fundamental relations between real and imaginary potentials. These physical properties are illustrated by studies in the A=60 and 90 regions. General trends are identified and outstanding issues cited. Throughout, the approach is that of observational interpretation for basic and applied purposes. 20 refs., 11 figs., 2 tabs
Kirgiz, Ahmet; Atalay, Kurşat; Kaldirim, Havva; Cabuk, Kubra Serefoglu; Akdemir, Mehmet Orcun; Taskapili, Muhittin
2017-08-01
The purpose of this study was to compare the keratometry (K) values obtained by the Scheimpflug camera combined with placido-disk corneal topography (Sirius) and optical biometry (Lenstar) for intraocular lens (IOL) power calculation before the cataract surgery, and to evaluate the accuracy of postoperative refraction. 50 eyes of 40 patients were scheduled to have phacoemulsification with the implantation of a posterior chamber intraocular lens. The IOL power was calculated using the SRK/T formula with Lenstar K and K readings from Sirius. Simulated K (SimK), K at 3-, 5-, and 7-mm zones from Sirius were compared with Lenstar K readings. The accuracy of these parameters was determined by calculating the mean absolute error (MAE). The mean Lenstar K value was 44.05 diopters (D) ±1.93 (SD) and SimK, K at 3-, 5-, and 7-mm zones were 43.85 ± 1.91, 43.88 ± 1.9, 43.84 ± 1.9, 43.66 ± 1.85 D, respectively. There was no statistically significant difference between the K readings (P = 0.901). When Lenstar was used for the corneal power measurements, MAE was 0.42 ± 0.33 D, but when simK of Sirius was used, it was 0.37 ± 0.32 D (the lowest MAE (0.36 ± 0.32 D) was achieved as a result of 5 mm K measurement), but it was not statistically significant (P = 0.892). Of all the K readings of Sirius and Lenstar, Sirius 5-mm zone K readings were the best in predicting a more precise IOL power. The corneal power measurements with the Scheimpflug camera combined with placido-disk corneal topography can be safely used for IOL power calculation.
Microscopic optical model potential based on Brueckner-Hartree-Fock theory
International Nuclear Information System (INIS)
Li Lulu; Zhao Enguang; Zhou Shangui; Li Zenghua; Zuo Wei; Bonaccorso, Angela; Lonbardo, Umberto
2010-01-01
The optical model is one of the most important models in the study of nuclear reactions. In the optical model, the elastic channel is considered to be dominant and the contributions of all other absorption channels are described by introducing an imaginary potential, Koning and Delaroche obtained empirically the so-called KDR optical potentials based on a best-fitting of massive experimental data on nucleon-nucleus scattering reactions. The volume part is found to be dominant in the real component of the OMP at low energies. Using the Bruckner-Hartree-Fock theory with Bonn B potential plus self consistent three body force, the nucleon-nucleus optical potential is studied in this thesis. In the Bruckner theory, the on-shell self energy, is corresponding to the depth of the volume part of the optical model potential (OMP) for nucleon-nucleus scattering. Using Bruckner-Hartree-Fock theory, the nucleon on-shell self energy is calculated based on Hughenoltz-Van Hove (HVH) theorem. The microscopic optical potentials thus obtained agree well with the volume part of the KDR potentials. Furthermore, the isospin splitting in the volume part of the OMP is also reproduced satisfactorily. The isospin effect in the volume part of the OMP is directly related to the isospin splitting of the effective mass of the nucleon. According to our results, the isospin splitting of neutron to proton effective mass is such that the neutron effective mass increases with isospin, whereas the proton effective mass decreases. The isovector potential U n (E) - U p (E) vanishes at energy E ≈ 200 MeV and then changes sign indicating a possible inversion in the effective mass isospin spitting. We also calculated from the Bruckner theory the imaginary part of the OMP, and the microscopic calculations predict that the isospin splitting exists also in the imaginary OMP whereas the empirical KDR potentials do not show this feature. The shape of the real component of the nucleon-nucleus OMP is
Evolving and energy dependent optical model description of heavy-ion elastic scattering
International Nuclear Information System (INIS)
Michaelian, K.
1996-01-01
We present the application of a genetic algorithm to the problem of determining an energy dependent optical model description of heavy-ion elastic scattering. The problem requires a search for the global best optical model potential and its energy dependence in a very rugged 12 dimensional parameter space of complex topographical features with many local minima. Random solutions are created in the first generation. The fitness of a solution is related to the χ 2 fit of the calculated differential cross sections with the experimental data. Best fit solutions are evolved through cross over and mutation following the biological example. This genetic algorithm approach combined with local gradient minimization is shown to provide a global, complete and extremely efficient search method, well adapted to complex fitness landscapes. These characteristics, combined with the facility of application, should make it the search method of choice for a wide variety of problems from nuclear physics. (Author)
Diagnostics of helium plasma by collisional-radiative modeling and optical emission spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Lee, Wonwook; Kwon, Duck-Hee [KAERI, Daejeon (Korea, Republic of)
2015-05-15
Optical diagnostics for the electron temperature (T{sub e}) and the electron density (n{sub e}) of fusion plasma is important for understanding and controlling the edge and the divertor plasmas in tokamak. Since the line intensity ratio method using the collisional-radiative modeling and OES (optical emission spectroscopy) is simple and does not disturb the plasma, many fusion devices with TEXTOR, JET, JT-60U, LHD, and so on, have employed the line intensity ratio method as a basic diagnostic tool for neutral helium (He I). The accuracy of the line intensity ratio method depends on the reliability of the cross sections and rate coefficients. We performed state-of-the-art R-matrix calculations including couplings up to n=7 states and the distorted wave (DW) calculations for the electron-impact excitation (EIE) cross sections of He I using the flexible atomic code (FAC). The collisional-radiative model for He I was constructed using the calculated the cross sections. The helium collisional-radiative model for He I was constructed to diagnose the electron temperature and the electron density of the plasma. The electron temperature and density were determined by using the line intensity ratio method.