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Sample records for spectral element solution

  1. A deflation based parallel algorithm for spectral element solution of the incompressible Navier-Stokes equations

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, P.F. [Brown Univ., Providence, RI (United States)

    1996-12-31

    Efficient solution of the Navier-Stokes equations in complex domains is dependent upon the availability of fast solvers for sparse linear systems. For unsteady incompressible flows, the pressure operator is the leading contributor to stiffness, as the characteristic propagation speed is infinite. In the context of operator splitting formulations, it is the pressure solve which is the most computationally challenging, despite its elliptic origins. We seek to improve existing spectral element iterative methods for the pressure solve in order to overcome the slow convergence frequently observed in the presence of highly refined grids or high-aspect ratio elements.

  2. A three-dimensional spectral element model for the solution of the hydrostatic primitive equations

    International Nuclear Information System (INIS)

    Iskandarani, M.; Haidvogel, D.B.; Levin, J.C.

    2003-01-01

    We present a spectral element model to solve the hydrostatic primitive equations governing large-scale geophysical flows. The highlights of this new model include unstructured grids, dual h-p paths to convergence, and good scalability characteristics on present day parallel computers including Beowulf-class systems. The behavior of the model is assessed on three process-oriented test problems involving wave propagation, gravitational adjustment, and nonlinear flow rectification, respectively. The first of these test problems is a study of the convergence properties of the model when simulating the linear propagation of baroclinic Kelvin waves. The second is an intercomparison of spectral element and finite-difference model solutions to the adjustment of a density front in a straight channel. Finally, the third problem considers the comparison of model results to measurements obtained from a laboratory simulation of flow around a submarine canyon. The aforementioned tests demonstrate the good performance of the model in the idealized/process-oriented limits

  3. A three-dimensional spectral element model for the solution of the hydrostatic primitive equations

    CERN Document Server

    Iskandarani, M; Levin, J C

    2003-01-01

    We present a spectral element model to solve the hydrostatic primitive equations governing large-scale geophysical flows. The highlights of this new model include unstructured grids, dual h-p paths to convergence, and good scalability characteristics on present day parallel computers including Beowulf-class systems. The behavior of the model is assessed on three process-oriented test problems involving wave propagation, gravitational adjustment, and nonlinear flow rectification, respectively. The first of these test problems is a study of the convergence properties of the model when simulating the linear propagation of baroclinic Kelvin waves. The second is an intercomparison of spectral element and finite-difference model solutions to the adjustment of a density front in a straight channel. Finally, the third problem considers the comparison of model results to measurements obtained from a laboratory simulation of flow around a submarine canyon. The aforementioned tests demonstrate the good performance of th...

  4. High-precision solution to the moving load problem using an improved spectral element method

    Science.gov (United States)

    Wen, Shu-Rui; Wu, Zhi-Jing; Lu, Nian-Li

    2018-02-01

    In this paper, the spectral element method (SEM) is improved to solve the moving load problem. In this method, a structure with uniform geometry and material properties is considered as a spectral element, which means that the element number and the degree of freedom can be reduced significantly. Based on the variational method and the Laplace transform theory, the spectral stiffness matrix and the equivalent nodal force of the beam-column element are established. The static Green function is employed to deduce the improved function. The proposed method is applied to two typical engineering practices—the one-span bridge and the horizontal jib of the tower crane. The results have revealed the following. First, the new method can yield extremely high-precision results of the dynamic deflection, the bending moment and the shear force in the moving load problem. In most cases, the relative errors are smaller than 1%. Second, by comparing with the finite element method, one can obtain the highly accurate results using the improved SEM with smaller element numbers. Moreover, the method can be widely used for statically determinate as well as statically indeterminate structures. Third, the dynamic deflection of the twin-lift jib decreases with the increase in the moving load speed, whereas the curvature of the deflection increases. Finally, the dynamic deflection, the bending moment and the shear force of the jib will all increase as the magnitude of the moving load increases.

  5. High-precision solution to the moving load problem using an improved spectral element method

    Science.gov (United States)

    Wen, Shu-Rui; Wu, Zhi-Jing; Lu, Nian-Li

    2017-06-01

    In this paper, the spectral element method (SEM) is improved to solve the moving load problem. In this method, a structure with uniform geometry and material properties is considered as a spectral element, which means that the element number and the degree of freedom can be reduced significantly. Based on the variational method and the Laplace transform theory, the spectral stiffness matrix and the equivalent nodal force of the beam-column element are established. The static Green function is employed to deduce the improved function. The proposed method is applied to two typical engineering practices—the one-span bridge and the horizontal jib of the tower crane. The results have revealed the following. First, the new method can yield extremely high-precision results of the dynamic deflection, the bending moment and the shear force in the moving load problem. In most cases, the relative errors are smaller than 1%. Second, by comparing with the finite element method, one can obtain the highly accurate results using the improved SEM with smaller element numbers. Moreover, the method can be widely used for statically determinate as well as statically indeterminate structures. Third, the dynamic deflection of the twin-lift jib decreases with the increase in the moving load speed, whereas the curvature of the deflection increases. Finally, the dynamic deflection, the bending moment and the shear force of the jib will all increase as the magnitude of the moving load increases.

  6. Spectral element simulation of ultrafiltration

    DEFF Research Database (Denmark)

    Hansen, M.; Barker, Vincent A.; Hassager, Ole

    1998-01-01

    A spectral element method for simulating stationary 2-D ultrafiltration is presented. The mathematical model is comprised of the Navier-Stokes equations for the velocity field of the fluid and a transport equation for the concentration of the solute. In addition to the presence of the velocity...... vector in the transport equation, the system is coupled by the dependency of the fluid viscosity on the solute concentration and by a concentration-dependent boundary condition for the Navier-Stokes equations at the membrane surface. The spectral element discretization yields a nonlinear algebraic system....... The performance of the spectral element code when applied to several ultrafiltration problems is reported. (C) 1998 Elsevier Science Ltd. All rights reserved....

  7. The Implementation of Spectral Element Method in a CAE System for the Solution of Elasticity Problems on Hybrid Curvilinear Meshes

    Directory of Open Access Journals (Sweden)

    Dmitriy Konovalov

    2017-01-01

    Full Text Available Modern high-performance computing systems allow us to explore and implement new technologies and mathematical modeling algorithms into industrial software systems of engineering analysis. For a long time the finite element method (FEM was considered as the basic approach to mathematical simulation of elasticity theory problems; it provided the problems solution within an engineering error. However, modern high-tech equipment allows us to implement design solutions with a high enough accuracy, which requires more sophisticated approaches within the mathematical simulation of elasticity problems in industrial packages of engineering analysis. One of such approaches is the spectral element method (SEM. The implementation of SEM in a CAE system for the solution of elasticity problems is considered. An important feature of the proposed variant of SEM implementation is a support of hybrid curvilinear meshes. The main advantages of SEM over the FEM are discussed. The shape functions for different classes of spectral elements are written. Some results of computations are given for model problems that have analytical solutions. The results show the better accuracy of SEM in comparison with FEM for the same meshes.

  8. The K spectral type contact binary NSVS 1557555: Photometric solution and preliminary elements

    Science.gov (United States)

    Barani, C.; Acerbi, F.; Martignoni, M.

    2017-11-01

    We present the first CCD sets of complete light curves for the W Ursae Majoris system NSVS 1557555. The observations were performed in the B, V and Ic bands using the 0.25 m telescope of the Stazione Astronomica Betelgeuse Northern Italy, during 8 nights in October and November 2016. Based on our new eleven Time of Minima (ToM), and two recent ones found in bibliography, the short orbital period of the system is confirmed and revised to P = 0.2725163 days . A reasonable fit of the synthetic light curves of the data indicate that NSVS 1557555 is a late-type (K1+K3) shallow contact binary system of W-Subtype of the W Ursae Majoris systems, with a mass ratio of q = 1.8, a degree of contact factor f = 12.5%, a temperature difference between the components of 240K and inclination i = 85°. The light curves show asymmetries at the maxima with the maximum at phase 0.75 higher the other one (inverse O'Connell effect). To explain the light asymmetries we used a model that involves an hot spotted region on the surface of the cooler star. The definitive solution is only possible with a large amount of third light (L3 = 0.58 in B Filter). It may come from a hot tertiary component. The absolute dimensions of the system are estimated. From the logM-logL diagram it is seen that both components of NSVS 1557555 follow the general pattern of the W subtype W Ursae Majoris systems. The orbital angular momentum is compared with those of other W UMa type binaries and is normal.

  9. Spectral/hp element methods: Recent developments, applications, and perspectives

    DEFF Research Database (Denmark)

    Xu, Hui; Cantwell, Chris; Monteserin, Carlos

    2018-01-01

    The spectral/hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomial basis functions on coarse finite element-type meshes. The spatial approximation...... regularity assumptions an exponential reduction in approximation error between numerical and exact solutions can be achieved. This method has now been applied in many simulation studies of both fundamental and practical engineering flows. This paper briefly describes the formulation of the spectral...... method in more complex science and engineering applications are discussed....

  10. Building Spectral Element Dynamic Matrices Using Finite Element Models of Waveguide Slices and Elastodynamic Equations

    Directory of Open Access Journals (Sweden)

    P.B. Silva

    2013-01-01

    Full Text Available Structural spectral elements are formulated using the analytical solution of the applicable elastodynamic equations and, therefore, mesh refinement is not needed to analyze high frequency behavior provided the elastodynamic equations used remain valid. However, for modeling complex structures, standard spectral elements require long and cumbersome analytical formulation. In this work, a method to build spectral finite elements from a finite element model of a slice of a structural waveguide (a structure with one dimension much larger than the other two is proposed. First, the transfer matrix of the structural waveguide is obtained from the finite element model of a thin slice. Then, the wavenumbers and wave propagation modes are obtained from the transfer matrix and used to build the spectral element matrix. These spectral elements can be used to model homogeneous waveguides with constant cross section over long spans without the need of refining the finite element mesh along the waveguide. As an illustrating example, spectral elements are derived for straight uniform rods and beams and used to calculate the forced response in the longitudinal and transverse directions. Results obtained with the spectral element formulation are shown to agree well with results obtained with a finite element model of the whole beam. The proposed approach can be used to generate spectral elements of waveguides of arbitrary cross section and, potentially, of arbitrary order.

  11. Spectral/ hp element methods: Recent developments, applications, and perspectives

    Science.gov (United States)

    Xu, Hui; Cantwell, Chris D.; Monteserin, Carlos; Eskilsson, Claes; Engsig-Karup, Allan P.; Sherwin, Spencer J.

    2018-02-01

    The spectral/ hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomial basis functions on coarse finite element-type meshes. The spatial approximation is based upon orthogonal polynomials, such as Legendre or Chebychev polynomials, modified to accommodate a C 0 - continuous expansion. Computationally and theoretically, by increasing the polynomial order p, high-precision solutions and fast convergence can be obtained and, in particular, under certain regularity assumptions an exponential reduction in approximation error between numerical and exact solutions can be achieved. This method has now been applied in many simulation studies of both fundamental and practical engineering flows. This paper briefly describes the formulation of the spectral/ hp element method and provides an overview of its application to computational fluid dynamics. In particular, it focuses on the use of the spectral/ hp element method in transitional flows and ocean engineering. Finally, some of the major challenges to be overcome in order to use the spectral/ hp element method in more complex science and engineering applications are discussed.

  12. Solution of Finite Element Equations

    DEFF Research Database (Denmark)

    Krenk, Steen

    An important step in solving any problem by the finite element method is the solution of the global equations. Numerical solution of linear equations is a subject covered in most courses in numerical analysis. However, the equations encountered in most finite element applications have some special...... features that justify the development of specialized solution algorithms....

  13. Introduction to finite and spectral element methods using Matlab

    CERN Document Server

    Pozrikidis, Constantine

    2014-01-01

    The Finite Element Method in One Dimension. Further Applications in One Dimension. High-Order and Spectral Elements in One Dimension. The Finite Element Method in Two Dimensions. Quadratic and Spectral Elements in Two Dimensions. Applications in Mechanics. Viscous Flow. Finite and Spectral Element Methods in Three Dimensions. Appendices. References. Index.

  14. Spectral Element Multigrid. Part 2. Theoretical Justification

    Science.gov (United States)

    1988-12-01

    R.VERFORTH - A note on multigrid methods for nonconforming finite element methods, Stochastische Mathematische Modellenumber 453, Mars 1988. Preprint...submitted to SIAM J. Numer. Anal. [MM] J. F. MAITRE & F. MUSY - Multigrid methods : Convergence theory in a variational framework, SINUM 21, 4,(1984) pp...Equations-M, SIAM (1984). [ZWHl] T.A. ZANG, Y. S. WONG & M.Y. HUSSAINI - Spectral multigrid methods for elliptic equations, J.CP. 49,(1982) pp485-50l

  15. Spectral element method for wave propagation on irregular domains

    Indian Academy of Sciences (India)

    Yan Hui Geng

    2018-03-14

    Mar 14, 2018 ... A spectral element approximation of acoustic propagation problems combined with a new mapping method on irregular ... Spectral element method; curved quadrilateral element; isoparametric element; Chebyshev polynomial ... overcome this problem, such as meshless local strong form method [9], the ...

  16. Stability estimates for hp spectral element methods for general ...

    Indian Academy of Sciences (India)

    Home; Journals; Proceedings – Mathematical Sciences; Volume 113; Issue 4. Stability Estimates for ℎ- Spectral ... We establish basic stability estimates for a non-conforming ℎ- spectral element method which allows for simultaneous mesh refinement and variable polynomial degree. The spectral element functions are ...

  17. A residual-based shock capturing scheme for the continuous/discontinuous spectral element solution of the 2D shallow water equations

    Science.gov (United States)

    Marras, Simone; Kopera, Michal A.; Constantinescu, Emil M.; Suckale, Jenny; Giraldo, Francis X.

    2018-04-01

    The high-order numerical solution of the non-linear shallow water equations is susceptible to Gibbs oscillations in the proximity of strong gradients. In this paper, we tackle this issue by presenting a shock capturing model based on the numerical residual of the solution. Via numerical tests, we demonstrate that the model removes the spurious oscillations in the proximity of strong wave fronts while preserving their strength. Furthermore, for coarse grids, it prevents energy from building up at small wave-numbers. When applied to the continuity equation to stabilize the water surface, the addition of the shock capturing scheme does not affect mass conservation. We found that our model improves the continuous and discontinuous Galerkin solutions alike in the proximity of sharp fronts propagating on wet surfaces. In the presence of wet/dry interfaces, however, the model needs to be enhanced with the addition of an inundation scheme which, however, we do not address in this paper.

  18. Bessel smoothing filter for spectral-element mesh

    Science.gov (United States)

    Trinh, P. T.; Brossier, R.; Métivier, L.; Virieux, J.; Wellington, P.

    2017-06-01

    Smoothing filters are extremely important tools in seismic imaging and inversion, such as for traveltime tomography, migration and waveform inversion. For efficiency, and as they can be used a number of times during inversion, it is important that these filters can easily incorporate prior information on the geological structure of the investigated medium, through variable coherent lengths and orientation. In this study, we promote the use of the Bessel filter to achieve these purposes. Instead of considering the direct application of the filter, we demonstrate that we can rely on the equation associated with its inverse filter, which amounts to the solution of an elliptic partial differential equation. This enhances the efficiency of the filter application, and also its flexibility. We apply this strategy within a spectral-element-based elastic full waveform inversion framework. Taking advantage of this formulation, we apply the Bessel filter by solving the associated partial differential equation directly on the spectral-element mesh through the standard weak formulation. This avoids cumbersome projection operators between the spectral-element mesh and a regular Cartesian grid, or expensive explicit windowed convolution on the finite-element mesh, which is often used for applying smoothing operators. The associated linear system is solved efficiently through a parallel conjugate gradient algorithm, in which the matrix vector product is factorized and highly optimized with vectorized computation. Significant scaling behaviour is obtained when comparing this strategy with the explicit convolution method. The theoretical numerical complexity of this approach increases linearly with the coherent length, whereas a sublinear relationship is observed practically. Numerical illustrations are provided here for schematic examples, and for a more realistic elastic full waveform inversion gradient smoothing on the SEAM II benchmark model. These examples illustrate well the

  19. Stability estimates for hp spectral element methods for general ...

    Indian Academy of Sciences (India)

    We establish basic stability estimates for a non-conforming ℎ- spectral element method which allows for simultaneous mesh refinement and variable polynomial degree. The spectral element functions are non-conforming if the boundary conditions are Dirichlet. For problems with mixed boundary conditions they are ...

  20. Spectral element method for wave propagation on irregular domains

    Indian Academy of Sciences (India)

    A spectral element approximation of acoustic propagation problems combined with a new mapping method on irregular domains is proposed. Following this method, the Gauss–Lobatto–Chebyshev nodes in the standard space are applied to the spectral element method (SEM). The nodes in the physical space are ...

  1. Investigation of a two-dimensional spectral element method for Helmholtz's equation

    International Nuclear Information System (INIS)

    Mehdizadeh, Omid Z.; Paraschivoiu, Marius

    2003-01-01

    A spectral element method is developed for solving the two-dimensional Helmholtz's equation, which is the equation governing time-harmonic acoustic waves. Computational cost for solving Helmholtz's equation with the Galerkin finite element method increases as the wave number increases, due to the pollution effect. Therefore a more efficient numerical method is sought. The comparison between a spectral element method and a second-order finite element method shows that the spectral element method leads to fewer grid points per wavelength and less computational cost, for the same accuracy. It also offers the same advantage as the finite element method to address complex geometry and general material property. Some simple examples are addressed and compared with the exact solutions to confirm the accuracy of the method. For unbounded problems, the symmetric perfectly matched layer (PML) method is applied to treat the non-reflecting boundary conditions. In the PML method, a fictitious absorbing layer is introduced outside the truncated boundary

  2. Stability estimates for hp spectral element methods for elliptic ...

    Indian Academy of Sciences (India)

    Home; Journals; Proceedings – Mathematical Sciences; Volume 112; Issue 4. Stability Estimates for ℎ- Spectral Element Methods for Elliptic Problems. Pravir Dutt ... In a series of papers of which this is the first we study how to solve elliptic problems on polygonal domains using spectral methods on parallel computers.

  3. hp Spectral element methods for three dimensional elliptic problems ...

    Indian Academy of Sciences (India)

    we use spectral element functions which are non-conforming and hence there are no com- mon boundary ... We assume our spectral element functions to be a sum of tensor product of polynomials of variable degree .... R3 with a Lipschitz boundary ∂O. Assume in addition that ∂O is piecewise C2. Let P be a point on ∂O ...

  4. Spectral Multigrid Methods for the Solution of Homogeneous Turbulence Problems.

    Science.gov (United States)

    1987-07-01

    8217*:jik1. t - a C S CI Ca FILE.. coa NASA Contractor Report 178341 (:...: rP,, ICASE REPORT NO. 87-45 000 ICASE SPECTRAL MULTIGRID METHODS FOR THE SOLUTION...s .uin. .,- ’. .. ".S- . -- . SPECTRAL MULTIGRID METHODS FOR THE , ,1 SOLUTION OF HOMOGENEOUS TURBULENCE PROBLEMS G. Erlebacher and T. A. Zang...Center, Hampton, VA 23665. °*,.555 ° SZ. "I*., 5o% .., - .,4 5 _ . P 2 -5 I. Introduction Spectral multigrid methods [9,13,17,181 combine the

  5. Spectral solution of the inverse Mie problem

    Science.gov (United States)

    Romanov, Andrey V.; Konokhova, Anastasiya I.; Yastrebova, Ekaterina S.; Gilev, Konstantin V.; Strokotov, Dmitry I.; Chernyshev, Andrei V.; Maltsev, Valeri P.; Yurkin, Maxim A.

    2017-10-01

    We developed a fast method to determine size and refractive index of homogeneous spheres from the power Fourier spectrum of their light-scattering patterns (LSPs), measured with the scanning flow cytometer. Specifically, we used two spectral parameters: the location of the non-zero peak and zero-frequency amplitude, and numerically inverted the map from the space of particle characteristics (size and refractive index) to the space of spectral parameters. The latter parameters can be reliably resolved only for particle size parameter greater than 11, and the inversion is unique only in the limited range of refractive index with upper limit between 1.1 and 1.25 (relative to the medium) depending on the size parameter and particular definition of uniqueness. The developed method was tested on two experimental samples, milk fat globules and spherized red blood cells, and resulted in accuracy not worse than the reference method based on the least-square fit of the LSP with the Mie theory. Moreover, for particles with significant deviation from the spherical shape the spectral method was much closer to the Mie-fit result than the estimated uncertainty of the latter. The spectral method also showed adequate results for synthetic LSPs of spheroids with aspect ratios up to 1.4. Overall, we present a general framework, which can be used to construct an inverse algorithm for any other experimental signals.

  6. Spectral analysis of gluonic pole matrix elements for fragmentation

    NARCIS (Netherlands)

    Gamberg, L. P.; Mukherjee, A.B.; Mulders, P.J.G.

    2008-01-01

    The nonvanishing of gluonic pole matrix elements can explain the appearance of single spin asymmetries in high-energy scattering processes. We use a spectator framework approach to investigate the spectral properties of quark-quark-gluon correlators and use this to study gluonic pole matrix

  7. hp Spectral element methods for three dimensional elliptic problems ...

    Indian Academy of Sciences (India)

    125, No. 3, August 2015, pp. 413–447. c Indian Academy of Sciences h-p Spectral element methods for three dimensional elliptic problems on non-smooth domains, Part-II: Proof of stability theorem. P DUTT1, AKHLAQ HUSAIN2,∗, A S VASUDEVA MURTHY3 and C S UPADHYAY4. 1Department of Mathematics & Statistics ...

  8. Unstructured Spectral Element Model for Dispersive and Nonlinear Wave Propagation

    DEFF Research Database (Denmark)

    Engsig-Karup, Allan Peter; Eskilsson, Claes; Bigoni, Daniele

    2016-01-01

    We introduce a new stabilized high-order and unstructured numerical model for modeling fully nonlinear and dispersive water waves. The model is based on a nodal spectral element method of arbitrary order in space and a -transformed formulation due to Cai, Langtangen, Nielsen and Tveito (1998). In...

  9. Shock capturing in discontinuous Galerkin spectral elements via the entropy viscosity method

    Science.gov (United States)

    Hackl, Jason; Shringarpure, Mrugesh; Fischer, Paul; Balachandar, Sivaramakrishnan

    2017-11-01

    We present a 3D discontinuous Galerkin spectral element solver for compressible flows with shock waves using artificial viscosity to regularize the solution for representation by nested tensor products of high-order Lagrange polynomials. The viscosity is constructed from a smoothed evaluation of the residual of an entropy inequality, localizing the artificial viscosity around shock waves and other flow features that would otherwise not be representable in spectral elements without thermodynamic violations due to Gibbs oscillations. Applied to the Guermond-Popov (2014) stress tensor, this smoothed, continuous artificial viscosity is easily integrated with the non-symmetric numerical fluxes of Baumann and Oden (1999). The method is implemented on top of nek5000, leveraging an outstanding high-performance spectral element code to solve shocked flows over curved surfaces. The interaction of a Mach 3 shock with a sphere is shown to demonstrate this capability. Supported by the Department of Energy Predictive Science Academic Alliance Program Contract DE-NA0002378.

  10. On the reliability of finite element solutions

    International Nuclear Information System (INIS)

    Prasad, K.S.R.K.

    1975-01-01

    The extent of reliability of the finite element method for analysis of nuclear reactor structures, and that of reactor vessels in particular and the need for the engineer to guard against the pitfalls that may arise out of both physical and mathematical models have been high-lighted. A systematic way of checking the model to obtain reasonably accurate solutions is presented. Quite often sophisticated elements are suggested for specific design and stress concentration problems. The desirability or otherwise of these elements, their scope and utility vis-a-vis the use of large stack of conventional elements are discussed from the view point of stress analysts. The methods of obtaining a check on the reliability of the finite element solutions either through modelling changes or an extrapolation technique are discussed. (author)

  11. Element-by-element parallel spectral-element methods for 3-D teleseismic wave modeling

    KAUST Repository

    Liu, Shaolin

    2017-09-28

    The development of an efficient algorithm for teleseismic wave field modeling is valuable for calculating the gradients of the misfit function (termed misfit gradients) or Fréchet derivatives when the teleseismic waveform is used for adjoint tomography. Here, we introduce an element-by-element parallel spectral-element method (EBE-SEM) for the efficient modeling of teleseismic wave field propagation in a reduced geology model. Under the plane-wave assumption, the frequency-wavenumber (FK) technique is implemented to compute the boundary wave field used to construct the boundary condition of the teleseismic wave incidence. To reduce the memory required for the storage of the boundary wave field for the incidence boundary condition, a strategy is introduced to efficiently store the boundary wave field on the model boundary. The perfectly matched layers absorbing boundary condition (PML ABC) is formulated using the EBE-SEM to absorb the scattered wave field from the model interior. The misfit gradient can easily be constructed in each time step during the calculation of the adjoint wave field. Three synthetic examples demonstrate the validity of the EBE-SEM for use in teleseismic wave field modeling and the misfit gradient calculation.

  12. Validation of a tetrahedral spectral element code for solving the Navier Stokes equation

    International Nuclear Information System (INIS)

    Niewiadomski, C.; Paraschivoiu, M.

    2004-01-01

    The tetrahedral spectral element method is considered to solve the incompressible Navier-Stokes equations because it is capable to capture complex geometries and obtain highly accurate solutions. This method allows accuracy improvements both by decreasing the spatial discretization as well as increasing the expansion order. The method is presented here-in as a modification of an standard finite element code. Some recent improvement to the baseline spectral element method for the tetrahedron described in References 3 and 2 are presented. These improvements include: the continuity enforcement procedure avoiding the need to change the global assembly operation and the removal of the reference coordinate system from the elemental evaluations thus simplifying greatly the method. A study is performed on the Stokes and Navier-Stokes equations to validate the method and the resulting code. (author)

  13. Efficiency of High Order Spectral Element Methods on Petascale Architectures

    KAUST Repository

    Hutchinson, Maxwell

    2016-06-14

    High order methods for the solution of PDEs expose a tradeoff between computational cost and accuracy on a per degree of freedom basis. In many cases, the cost increases due to higher arithmetic intensity while affecting data movement minimally. As architectures tend towards wider vector instructions and expect higher arithmetic intensities, the best order for a particular simulation may change. This study highlights preferred orders by identifying the high order efficiency frontier of the spectral element method implemented in Nek5000 and NekBox: the set of orders and meshes that minimize computational cost at fixed accuracy. First, we extract Nek’s order-dependent computational kernels and demonstrate exceptional hardware utilization by hardware-aware implementations. Then, we perform productionscale calculations of the nonlinear single mode Rayleigh-Taylor instability on BlueGene/Q and Cray XC40-based supercomputers to highlight the influence of the architecture. Accuracy is defined with respect to physical observables, and computational costs are measured by the corehour charge of the entire application. The total number of grid points needed to achieve a given accuracy is reduced by increasing the polynomial order. On the XC40 and BlueGene/Q, polynomial orders as high as 31 and 15 come at no marginal cost per timestep, respectively. Taken together, these observations lead to a strong preference for high order discretizations that use fewer degrees of freedom. From a performance point of view, we demonstrate up to 60% full application bandwidth utilization at scale and achieve ≈1PFlop/s of compute performance in Nek’s most flop-intense methods.

  14. The spectral-element method, Beowulf computing, and global seismology.

    Science.gov (United States)

    Komatitsch, Dimitri; Ritsema, Jeroen; Tromp, Jeroen

    2002-11-29

    The propagation of seismic waves through Earth can now be modeled accurately with the recently developed spectral-element method. This method takes into account heterogeneity in Earth models, such as three-dimensional variations of seismic wave velocity, density, and crustal thickness. The method is implemented on relatively inexpensive clusters of personal computers, so-called Beowulf machines. This combination of hardware and software enables us to simulate broadband seismograms without intrinsic restrictions on the level of heterogeneity or the frequency content.

  15. Factorizing the factorization - a spectral-element solver for elliptic equations with linear operation count

    Science.gov (United States)

    Huismann, Immo; Stiller, Jörg; Fröhlich, Jochen

    2017-10-01

    The paper proposes a novel factorization technique for static condensation of a spectral-element discretization matrix that yields a linear operation count of just 13N multiplications for the residual evaluation, where N is the total number of unknowns. In comparison to previous work it saves a factor larger than 3 and outpaces unfactored variants for all polynomial degrees. Using the new technique as a building block for a preconditioned conjugate gradient method yields linear scaling of the runtime with N which is demonstrated for polynomial degrees from 2 to 32. This makes the spectral-element method cost effective even for low polynomial degrees. Moreover, the dependence of the iterative solution on the element aspect ratio is addressed, showing only a slight increase in the number of iterations for aspect ratios up to 128. Hence, the solver is very robust for practical applications.

  16. A finite element solution of transonic flow

    Science.gov (United States)

    Tatum, K. E.

    1978-01-01

    The use of finite elements is explored in a field in which its use has previously not been deemed very feasible, that of transonic flow. The specific problem chosen is that of steady small-disturbance transonic flow. The nonlinear equations are formulated with an artificial viscosity term added to yield the proper domain of dependence and directional bias in supersonic regions and across imbedded shock waves. Justification is given for the problem and means of solution chosen, and the potential advantages of the finite element procedure over standard finite difference procedures are discussed. Several possible improvements on the method as presently derived are stated. Computational mesh requirements and certain mesh variations are described. Some results equivalent to finite difference calculations are given as a sample solution.

  17. Nonconforming h-p spectral element methods for elliptic problems

    Indian Academy of Sciences (India)

    (ξ,η)}l} ∈. M,W , the space of spectral element func- tions. Here zk i,1 = bk for all i, zk i,j. (νk,φk) is a polynomial in νk and φk of degree Wj ,. Wj ≤ W and z p+1 l. (ξ,η) is a polynomial in ξ and η of degree W as defined in §3. We choose W proportional to M. Then we have the following error estimate. Theorem 5.1. Let ak = u(Ak).

  18. Nonconforming h-p spectral element methods for elliptic problems

    Indian Academy of Sciences (India)

    and write p+1 = { p+1 l. : 1 ≤ l ≤ L}. Now define the space of spectral element functions. M,W. = {{uk i,j. (νk,φk)}i,j,k,. {u p+1 l. (ξ,η)}l}, where uk i,1 = hk a constant for all i and uk i,j (νk,φk) = Wj. ∑ r=1. Wj. ∑ s=1 gr,s νr k φs k, 1 < j ≤ M. Here 1 ≤ Wj ≤ W. Moreover there is an analytic mapping M p+1 l from the master square.

  19. Spectral Finite Element Analysis of the Vibration of Straight Fluid-Filled Pipes with Flanges

    Science.gov (United States)

    Finnveden, S.

    1997-01-01

    A spectral finite element formulation for the analysis of stationary vibration of straight fluid-filled pipes is introduced. Element formulations for flanges and rigid masses attached to the pipe are also presented. In the spectral finite element formulation, the base functions are frequency-dependent solutions to the local equations of motion. The formulation is valid for arbitrarily long pipes and losses may be distributed in the system and may vary with frequency. The solutions of the equations of motion are expressed in terms of exponential functions, describing propagation in the waveguide, together with corresponding cross-sectional mode shapes. These solutions are found by using an FE discretization of the cross-sectional motion. To increase the numerical efficiency, methods for using FE shape functions with higher order polynomials are developed. The numerical accuracy is investigated by comparisons with results achieved with an exact formulation. It is found that, for frequencies of interest in many engineering problems, pipes may be modelled by using only one element to describe the fluid motion. The vibrations of a simple pipe structure with an infinite pipe, a flange and a small rigid mass are calculated. Just below the cut-on frequency of a shell mode, the stiffness controlled shell mode and the rigid mass may resonate, resulting in high vibration levels concentrated near the mass.

  20. Stabilization of numerical interchange in spectral-element magnetohydrodynamics

    Science.gov (United States)

    Sovinec, C. R.

    2016-08-01

    Auxiliary numerical projections of the divergence of flow velocity and vorticity parallel to magnetic field are developed and tested for the purpose of suppressing unphysical interchange instability in magnetohydrodynamic simulations. The numerical instability arises with equal-order C0 finite- and spectral-element expansions of the flow velocity, magnetic field, and pressure and is sensitive to behavior at the limit of resolution. The auxiliary projections are motivated by physical field-line bending, and coercive responses to the projections are added to the flow-velocity equation. Their incomplete expansions are limited to the highest-order orthogonal polynomial in at least one coordinate of the spectral elements. Cylindrical eigenmode computations show that the projections induce convergence from the stable side with first-order ideal-MHD equations during h-refinement and p-refinement. Hyperbolic and parabolic projections and responses are compared, together with different methods for avoiding magnetic divergence error. The projections are also shown to be effective in linear and nonlinear time-dependent computations with the NIMROD code Sovinec et al. [17], provided that the projections introduce numerical dissipation.

  1. Spectral Element Method for the Simulation of Unsteady Compressible Flows

    Science.gov (United States)

    Diosady, Laslo Tibor; Murman, Scott M.

    2013-01-01

    This work uses a discontinuous-Galerkin spectral-element method (DGSEM) to solve the compressible Navier-Stokes equations [1{3]. The inviscid ux is computed using the approximate Riemann solver of Roe [4]. The viscous fluxes are computed using the second form of Bassi and Rebay (BR2) [5] in a manner consistent with the spectral-element approximation. The method of lines with the classical 4th-order explicit Runge-Kutta scheme is used for time integration. Results for polynomial orders up to p = 15 (16th order) are presented. The code is parallelized using the Message Passing Interface (MPI). The computations presented in this work are performed using the Sandy Bridge nodes of the NASA Pleiades supercomputer at NASA Ames Research Center. Each Sandy Bridge node consists of 2 eight-core Intel Xeon E5-2670 processors with a clock speed of 2.6Ghz and 2GB per core memory. On a Sandy Bridge node the Tau Benchmark [6] runs in a time of 7.6s.

  2. Spectral response of multi-element silicon detectors

    Energy Technology Data Exchange (ETDEWEB)

    Ludewigt, B.A.; Rossington, C.S.; Chapman, K. [Univ. of California, Berkeley, CA (United States)

    1997-04-01

    Multi-element silicon strip detectors, in conjunction with integrated circuit pulse-processing electronics, offer an attractive alternative to conventional lithium-drifted silicon Si(Li) and high purity germanium detectors (HPGe) for high count rate, low noise synchrotron x-ray fluorescence applications. One of the major differences between the segmented Si detectors and the commercially available single-element Si(Li) or HPGe detectors is that hundreds of elements can be fabricated on a single Si substrate using standard silicon processing technologies. The segmentation of the detector substrate into many small elements results in very low noise performance at or near, room temperature, and the count rate of the detector is increased many-fold due to the multiplication in the total number of detectors. Traditionally, a single channel of detector with electronics can handle {approximately}100 kHz count rates while maintaining good energy resolution; the segmented detectors can operate at greater than MHz count rates merely due to the multiplication in the number of channels. One of the most critical aspects in the development of the segmented detectors is characterizing the charge sharing and charge loss that occur between the individual detector strips, and determining how these affect the spectral response of the detectors.

  3. Solution of the Schroedinger equation by a spectral method

    International Nuclear Information System (INIS)

    Feit, M.D.; Fleck, J.A. Jr.; Steiger, A.

    1982-01-01

    A new computational method for determining the eigenvalues and eigenfunctions of the Schroedinger equation is described. Conventional methods for solving this problem rely on diagonalization of a Hamiltonian matrix or iterative numerical solutions of a time independent wave equation. The new method, in contrast, is based on the spectral properties of solutions to the time-dependent Schroedinger equation. The method requires the computation of a correlation function from a numerical solution psi(r, t). Fourier analysis of this correlation function reveals a set of resonant peaks that correspond to the stationary states of the system. Analysis of the location of these peaks reveals the eigenvalues with high accuracy. Additional Fourier transforms of psi(r, t) with respect to time generate the eigenfunctions. The effectiveness of the method is demonstrated for a one-dimensional asymmetric double well potential and for the two-dimensional Henon--Heiles potential

  4. Multiscale finite element methods for high-contrast problems using local spectral basis functions

    KAUST Repository

    Efendiev, Yalchin

    2011-02-01

    In this paper we study multiscale finite element methods (MsFEMs) using spectral multiscale basis functions that are designed for high-contrast problems. Multiscale basis functions are constructed using eigenvectors of a carefully selected local spectral problem. This local spectral problem strongly depends on the choice of initial partition of unity functions. The resulting space enriches the initial multiscale space using eigenvectors of local spectral problem. The eigenvectors corresponding to small, asymptotically vanishing, eigenvalues detect important features of the solutions that are not captured by initial multiscale basis functions. Multiscale basis functions are constructed such that they span these eigenfunctions that correspond to small, asymptotically vanishing, eigenvalues. We present a convergence study that shows that the convergence rate (in energy norm) is proportional to (H/Λ*)1/2, where Λ* is proportional to the minimum of the eigenvalues that the corresponding eigenvectors are not included in the coarse space. Thus, we would like to reach to a larger eigenvalue with a smaller coarse space. This is accomplished with a careful choice of initial multiscale basis functions and the setup of the eigenvalue problems. Numerical results are presented to back-up our theoretical results and to show higher accuracy of MsFEMs with spectral multiscale basis functions. We also present a hierarchical construction of the eigenvectors that provides CPU savings. © 2010.

  5. Post-earthquake relaxation using a spectral element method: 2.5-D case

    Science.gov (United States)

    Pollitz, Fred

    2014-01-01

    The computation of quasi-static deformation for axisymmetric viscoelastic structures on a gravitating spherical earth is addressed using the spectral element method (SEM). A 2-D spectral element domain is defined with respect to spherical coordinates of radius and angular distance from a pole of symmetry, and 3-D viscoelastic structure is assumed to be azimuthally symmetric with respect to this pole. A point dislocation source that is periodic in azimuth is implemented with a truncated sequence of azimuthal order numbers. Viscoelasticity is limited to linear rheologies and is implemented with the correspondence principle in the Laplace transform domain. This leads to a series of decoupled 2-D problems which are solved with the SEM. Inverse Laplace transform of the independent 2-D solutions leads to the time-domain solution of the 3-D equations of quasi-static equilibrium imposed on a 2-D structure. The numerical procedure is verified through comparison with analytic solutions for finite faults embedded in a laterally homogeneous viscoelastic structure. This methodology is applicable to situations where the predominant structure varies in one horizontal direction, such as a structural contrast across (or parallel to) a long strike-slip fault.

  6. Discrete conservation properties for shallow water flows using mixed mimetic spectral elements

    Science.gov (United States)

    Lee, D.; Palha, A.; Gerritsma, M.

    2018-03-01

    A mixed mimetic spectral element method is applied to solve the rotating shallow water equations. The mixed method uses the recently developed spectral element histopolation functions, which exactly satisfy the fundamental theorem of calculus with respect to the standard Lagrange basis functions in one dimension. These are used to construct tensor product solution spaces which satisfy the generalized Stokes theorem, as well as the annihilation of the gradient operator by the curl and the curl by the divergence. This allows for the exact conservation of first order moments (mass, vorticity), as well as higher moments (energy, potential enstrophy), subject to the truncation error of the time stepping scheme. The continuity equation is solved in the strong form, such that mass conservation holds point wise, while the momentum equation is solved in the weak form such that vorticity is globally conserved. While mass, vorticity and energy conservation hold for any quadrature rule, potential enstrophy conservation is dependent on exact spatial integration. The method possesses a weak form statement of geostrophic balance due to the compatible nature of the solution spaces and arbitrarily high order spatial error convergence.

  7. Dynamic analysis of smart composite beams by using the frequency domain spectral element method

    Energy Technology Data Exchange (ETDEWEB)

    Park, Il Wook; Lee, Usik [Inha Univ., Incheon (Korea, Republic of)

    2012-08-15

    To excite or measure the dynamic responses of a laminated composite structure for the active controls of vibrations or noises, wafertype piezoelectric transducers are often bonded on the surface of the composite structure to form a multi layer smart composite structure. Thus, for such smart composite structures, it is very important to develop and use a very reliable mathematical and/or computational model for predicting accurate dynamic characteristics. In this paper, the axial-bending coupled equations of motion and boundary conditions are derived for two layer smart composite beams by using the Hamilton's principle with Lagrange multipliers. The spectral element model is then formulated in the frequency domain by using the variation approach. Through some numerical examples, the extremely high accuracy of the present spectral element model is verified by comparing with the solutions by the conventional finite element model provided in this paper. The effects of the lay up of composite laminates and surface bonded wafer type piezoelectric (PZT) layer on the dynamics and wave characteristics of smart composite beams are investigated. The effective constraint forces at the interface between the base beam and PZT layer are also investigated via Lagrange multipliers.

  8. Vibration analysis of coupled conical-cylindrical-spherical shells using a Fourier spectral element method.

    Science.gov (United States)

    Su, Zhu; Jin, Guoyong

    2016-11-01

    This paper presents a Fourier spectral element method (FSEM) to analyze the free vibration of conical-cylindrical-spherical shells with arbitrary boundary conditions. Cylindrical-conical and cylindrical-spherical shells as special cases are also considered. In this method, each fundamental shell component (i.e., cylindrical, conical, and spherical shells) is divided into appropriate elements. The variational principle in conjunction with first-order shear deformation shell theory is employed to model the shell elements. Since the displacement and rotation components of each element are expressed as a linear superposition of nodeless Fourier sine functions and nodal Lagrangian polynomials, the global equations of the coupled shell structure can be obtained by adopting the assembly procedure. The Fourier sine series in the displacement field is introduced to enhance the accuracy and convergence of the solution. Numerical results show that the FSEM can be effectively applied to vibration analysis of the coupled shell structures. Numerous results for coupled shell structures with general boundary conditions are presented. Furthermore, the effects of geometric parameters and boundary conditions on the frequencies are investigated.

  9. A mass and energy conserving spectral element atmospheric dynamical core on the cubed-sphere grid

    International Nuclear Information System (INIS)

    Taylor, M A; Edwards, J; Thomas, S; Nair, R

    2007-01-01

    We present results from a conservative formulation of the spectral element method applied to global atmospheric circulation modeling. Exact local conservation of both mass and energy is obtained via a new compatible formulation of the spectral element method. Compatibility insures that the key integral property of the divergence and gradient operators required to show conservation also hold in discrete form. The spectral element method is used on a cubed-sphere grid to discretize the horizontal directions on the sphere. It can be coupled to any conservative vertical/radial discretization. The accuracy and conservation properties of the method are illustrated using a baroclinic instability test case

  10. A Spectral Finite Element Approach to Modeling Soft Solids Excited with High-Frequency Harmonic Loads.

    Science.gov (United States)

    Brigham, John C; Aquino, Wilkins; Aguilo, Miguel A; Diamessis, Peter J

    2011-01-15

    An approach for efficient and accurate finite element analysis of harmonically excited soft solids using high-order spectral finite elements is presented and evaluated. The Helmholtz-type equations used to model such systems suffer from additional numerical error known as pollution when excitation frequency becomes high relative to stiffness (i.e. high wave number), which is the case, for example, for soft tissues subject to ultrasound excitations. The use of high-order polynomial elements allows for a reduction in this pollution error, but requires additional consideration to counteract Runge's phenomenon and/or poor linear system conditioning, which has led to the use of spectral element approaches. This work examines in detail the computational benefits and practical applicability of high-order spectral elements for such problems. The spectral elements examined are tensor product elements (i.e. quad or brick elements) of high-order Lagrangian polynomials with non-uniformly distributed Gauss-Lobatto-Legendre nodal points. A shear plane wave example is presented to show the dependence of the accuracy and computational expense of high-order elements on wave number. Then, a convergence study for a viscoelastic acoustic-structure interaction finite element model of an actual ultrasound driven vibroacoustic experiment is shown. The number of degrees of freedom required for a given accuracy level was found to consistently decrease with increasing element order. However, the computationally optimal element order was found to strongly depend on the wave number.

  11. A Spectral Finite Element Approach to Modeling Soft Solids Excited with High-Frequency Harmonic Loads

    Science.gov (United States)

    Brigham, John C.; Aquino, Wilkins; Aguilo, Miguel A.; Diamessis, Peter J.

    2010-01-01

    An approach for efficient and accurate finite element analysis of harmonically excited soft solids using high-order spectral finite elements is presented and evaluated. The Helmholtz-type equations used to model such systems suffer from additional numerical error known as pollution when excitation frequency becomes high relative to stiffness (i.e. high wave number), which is the case, for example, for soft tissues subject to ultrasound excitations. The use of high-order polynomial elements allows for a reduction in this pollution error, but requires additional consideration to counteract Runge's phenomenon and/or poor linear system conditioning, which has led to the use of spectral element approaches. This work examines in detail the computational benefits and practical applicability of high-order spectral elements for such problems. The spectral elements examined are tensor product elements (i.e. quad or brick elements) of high-order Lagrangian polynomials with non-uniformly distributed Gauss-Lobatto-Legendre nodal points. A shear plane wave example is presented to show the dependence of the accuracy and computational expense of high-order elements on wave number. Then, a convergence study for a viscoelastic acoustic-structure interaction finite element model of an actual ultrasound driven vibroacoustic experiment is shown. The number of degrees of freedom required for a given accuracy level was found to consistently decrease with increasing element order. However, the computationally optimal element order was found to strongly depend on the wave number. PMID:21461402

  12. Using spectral element method to solve variational inequalities with applications in finance

    International Nuclear Information System (INIS)

    Moradipour, M.; Yousefi, S.A.

    2015-01-01

    Under the Black–Scholes model, the value of an American option solves a time dependent variational inequality problem (VIP). In this paper, first we discretize the variational inequality of American option in temporal direction by applying the Rannacher time stepping and achieve a sequence of elliptic variational inequalities. Second we discretize the spatial domain of variational inequalities by using spectral element methods with high order Lagrangian polynomials introduced on Gauss–Legendre–Lobatto points. Also by computing integrals by the Gauss–Legendre–Lobatto quadrature rule we derive a sequence of the linear complementarity problems (LCPs) having a positive definite sparse coefficient matrix. To find the unique solutions of the LCPs, we use the projected successive over-relaxation (PSOR) algorithm. Furthermore we present some existence and uniqueness theorems for the variational inequalities and LCPs. Finally, theoretical results are verified on the relevant numerical examples.

  13. Spectral finite element method wave propagation, diagnostics and control in anisotropic and inhomogeneous structures

    CERN Document Server

    Gopalakrishnan, Srinivasan; Roy Mahapatra, Debiprosad

    2008-01-01

    The use of composites and Functionally Graded Materials (FGMs) in structural applications has increased. FGMs allow the user to design materials for a specified functionality and have many uses in structural engineering. However, the behaviour of these structures under high-impact loading is not well understood. This book is the first to apply the Spectral Finite Element Method (SFEM) to inhomogeneous and anisotropic structures in a unified and systematic manner. It focuses on some of the problems with this media which were previously thought unmanageable. Types of SFEM for regular and damaged 1-D and 2-D waveguides, solution techniques, methods of detecting the presence of damages and their locations, and methods for controlling the wave propagation responses are discussed. Tables, figures and graphs support the theory and case studies are included. This book is of value to senior undergraduates and postgraduates studying in this field, and researchers and practicing engineers in structural integrity.

  14. Dissipation-preserving spectral element method for damped seismic wave equations

    Science.gov (United States)

    Cai, Wenjun; Zhang, Huai; Wang, Yushun

    2017-12-01

    This article describes the extension of the conformal symplectic method to solve the damped acoustic wave equation and the elastic wave equations in the framework of the spectral element method. The conformal symplectic method is a variation of conventional symplectic methods to treat non-conservative time evolution problems, which has superior behaviors in long-time stability and dissipation preservation. To reveal the intrinsic dissipative properties of the model equations, we first reformulate the original systems in their equivalent conformal multi-symplectic structures and derive the corresponding conformal symplectic conservation laws. We thereafter separate each system into a conservative Hamiltonian system and a purely dissipative ordinary differential equation system. Based on the splitting methodology, we solve the two subsystems respectively. The dissipative one is cheaply solved by its analytic solution. While for the conservative system, we combine a fourth-order symplectic Nyström method in time and the spectral element method in space to cover the circumstances in realistic geological structures involving complex free-surface topography. The Strang composition method is adopted thereby to concatenate the corresponding two parts of solutions and generate the completed conformal symplectic method. A relative larger Courant number than that of the traditional Newmark scheme is found in the numerical experiments in conjunction with a spatial sampling of approximately 5 points per wavelength. A benchmark test for the damped acoustic wave equation validates the effectiveness of our proposed method in precisely capturing dissipation rate. The classical Lamb problem is used to demonstrate the ability of modeling Rayleigh wave in elastic wave propagation. More comprehensive numerical experiments are presented to investigate the long-time simulation, low dispersion and energy conservation properties of the conformal symplectic methods in both the attenuating

  15. Spectral properties of substituted coumarins in solution and polymer matrices.

    Science.gov (United States)

    Donovalová, Jana; Cigáň, Marek; Stankovičová, Henrieta; Gašpar, Jan; Danko, Martin; Gáplovský, Anton; Hrdlovič, Pavol

    2012-03-14

    The absorption and fluorescence spectra of substituted coumarins (2-oxo-2H-chromenes) were investigated in solvents and in polymer matrices. The substitutions involved were: (1) by groups with varying electron donating ability such as CH₃, OCH₃ and N(CH₃)₂, mainly, but not exclusively, in positions 7 and (2), by either CHO or 4-PhNHCONHN=CH- in position 3. While the spectra of non-substituted coumarin-3-carbaldehyde has absorptions at approximately 305 and 350 nm, substitution at position 7 leads to remarkable changes in the shape of the absorption spectrum and shifts the absorption to a longer wavelength. Similarly, the replacement of the formyl group with a semicarbazide group substantially influences the shape of the absorption spectrum, and coumarins which have only N(CH₃)₂ in position 7 experience small changes. These changes are associated with the increasing intramolecular charge transfer (ICT) character and increasing conjugation length of the chromophoric system, respectively, in the studied molecules. The fluorescence is almost negligible for derivatives which have H in this position. With increasing electron donating ability, and the possibility of a positive mesomeric (+M) effect of the substituent in position 7 of the coumarin moiety, the fluorescence increases, and this increase is most intense when N(CH₃)₂ substitutes in this position, for both 3-substituted derivatives. Spectral measurements of the studied coumarins in polymer matrices revealed that the absorption and fluorescence maxima lay within the maxima for solvents, and that coumarins yield more intense fluorescence in polymer matrices than when they are in solution. The quantum yield of derivatives which have a dimethylamino group in position 7 in polymer matrices approaches 1, and the fluorescence lifetime is within the range of 0.5-4 ns. The high quantum yield of 7-dimethylamino derivatives qualifies them as laser dyes which have k(F) higher than k(nr) in the given medium

  16. Spectral Properties of Substituted Coumarins in Solution and Polymer Matrices

    Directory of Open Access Journals (Sweden)

    Jana Donovalová

    2012-03-01

    Full Text Available The absorption and fluorescence spectra of substituted coumarins (2-oxo-2H-chromenes were investigated in solvents and in polymer matrices. The substitutions involved were: (1 by groups with varying electron donating ability such as CH3, OCH3 and N(CH32, mainly, but not exclusively, in positions 7 and (2, by either CHO or 4-PhNHCONHN=CH- in position 3. While the spectra of non-substituted coumarin-3-carbaldehyde has absorptions at approximately 305 and 350 nm, substitution at position 7 leads to remarkable changes in the shape of the absorption spectrum and shifts the absorption to a longer wavelength. Similarly, the replacement of the formyl group with a semicarbazide group substantially influences the shape of the absorption spectrum, and coumarins which have only N(CH32 in position 7 experience small changes. These changes are associated with the increasing intramolecular charge transfer (ICT character and increasing conjugation length of the chromophoric system, respectively, in the studied molecules. The fluorescence is almost negligible for derivatives which have H in this position. With increasing electron donating ability, and the possibility of a positive mesomeric (+M effect of the substituent in position 7 of the coumarin moiety, the fluorescence increases, and this increase is most intense when N(CH32 substitutes in this position, for both 3-substituted derivatives. Spectral measurements of the studied coumarins in polymer matrices revealed that the absorption and fluorescence maxima lay within the maxima for solvents, and that coumarins yield more intense fluorescence in polymer matrices than when they are in solution. The quantum yield of derivatives which have a dimethylamino group in position 7 in polymer matrices approaches 1, and the fluorescence lifetime is within the range of 0.5–4 ns. The high quantum yield of 7-dimethylamino derivatives qualifies them as laser dyes which have kF higher than knr in the given medium. This

  17. Solution chemistry of element 104: Pt. 1

    International Nuclear Information System (INIS)

    Czerwinski, K.R.; Gregorich, K.E.; Hannink, N.J.; Kacher, C.D.; Kadkhodayan, B.A.; Kreek, S.A.; Lee, D.M.; Nurmia, M.J.; Tuerler, A.; Seaborg, G.T.; Hoffman, D.C.

    1994-01-01

    Liquid-liquid extractions of element 104 (Rf), Zr, Nb, Th, and Eu were conducted using triisooctylamine (TIOA), an organic soluble high molecular weight amine. Initial studies were conducted studying the extraction of Zr, Nb, Th and Eu from 12 M HCl in an organic phase of TIOA in benzene. Tracer loss due to thin sample formation was examined using 95 Zr. Based on the tracer extraction results, Rf extractions were conducted with an aqueous phase of 12 M HCl and an organic phase of 1.0 M and 0.1 M TIAO in benzene. The Rf extraction results showed that 0.1 M TIOA in benzene extracts Rf to a greater extent than 1.0 M TIOA in benzene. This difference is attributed to Rf loss during thin sample formation. The extraction of Rf by TIOA is further evidence that Rf behaves similar to the group 4 elements. (orig.)

  18. An efficient finite element solution for gear dynamics

    Science.gov (United States)

    Cooley, C. G.; Parker, R. G.; Vijayakar, S. M.

    2010-06-01

    A finite element formulation for the dynamic response of gear pairs is proposed. Following an established approach in lumped parameter gear dynamic models, the static solution is used as the excitation in a frequency domain solution of the finite element vibration model. The nonlinear finite element/contact mechanics formulation provides accurate calculation of the static solution and average mesh stiffness that are used in the dynamic simulation. The frequency domain finite element calculation of dynamic response compares well with numerically integrated (time domain) finite element dynamic results and previously published experimental results. Simulation time with the proposed formulation is two orders of magnitude lower than numerically integrated dynamic results. This formulation admits system level dynamic gearbox response, which may include multiple gear meshes, flexible shafts, rolling element bearings, housing structures, and other deformable components.

  19. Finite element solution algorithm for incompressible fluid dynamics

    Science.gov (United States)

    Baker, A. J.

    1974-01-01

    A finite element solution algorithm is established for the two-dimensional Navier-Stokes equations governing the transient motion of a viscous incompressible fluid, i.e., hydrodynamics. Dependent variable transformation renders the differential equation description uniformly elliptic. The finite element algorithm is established using the Galerkin criterion on a local basis within the Method of Weighted Residuals. It is unconstrained with respect to system linearity, computational mesh uniformity or solution domain closure regularity. The finite element matrices are established using a linear 'natural coordinate function' description. Computational solutions using the COMOC computer program illustrate the various features of the algorithm including recirculating flows.

  20. Nonconforming hp spectral element methods for elliptic problems

    Indian Academy of Sciences (India)

    Geometrical mesh; stability estimate; least-squares solution; preconditioners; condition numbers; exponential accuracy. ... Department of Mathematics, Indian Institute of Technology Kanpur, Kanpur 208 016, India; Department of Aerospace Engineering, Indian Institute of Technology Kanpur, Kanpur 208 016, India ...

  1. Spectral element filtering techniques for large eddy simulation with dynamic estimation

    CERN Document Server

    Blackburn, H M

    2003-01-01

    Spectral element methods have previously been successfully applied to direct numerical simulation of turbulent flows with moderate geometrical complexity and low to moderate Reynolds numbers. A natural extension of application is to large eddy simulation of turbulent flows, although there has been little published work in this area. One of the obstacles to such application is the ability to deal successfully with turbulence modelling in the presence of solid walls in arbitrary locations. An appropriate tool with which to tackle the problem is dynamic estimation of turbulence model parameters, but while this has been successfully applied to simulation of turbulent wall-bounded flows, typically in the context of spectral and finite volume methods, there have been no published applications with spectral element methods. Here, we describe approaches based on element-level spectral filtering, couple these with the dynamic procedure, and apply the techniques to large eddy simulation of a prototype wall-bounded turb...

  2. Stability estimates for h-p spectral element methods for elliptic ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    which measures the jump in the function and its derivatives at inter-element boundaries, in an appropriate ...... the spectral element functions depends continuously on a quadratic form, which consists of the sum of the ...... by the interpolation inequality and the inverse inequality for differentiation in [12]. Thus for N large ...

  3. 3D airborne EM modeling based on the spectral-element time-domain (SETD) method

    Science.gov (United States)

    Cao, X.; Yin, C.; Huang, X.; Liu, Y.; Zhang, B., Sr.; Cai, J.; Liu, L.

    2017-12-01

    In the field of 3D airborne electromagnetic (AEM) modeling, both finite-difference time-domain (FDTD) method and finite-element time-domain (FETD) method have limitations that FDTD method depends too much on the grids and time steps, while FETD requires large number of grids for complex structures. We propose a time-domain spectral-element (SETD) method based on GLL interpolation basis functions for spatial discretization and Backward Euler (BE) technique for time discretization. The spectral-element method is based on a weighted residual technique with polynomials as vector basis functions. It can contribute to an accurate result by increasing the order of polynomials and suppressing spurious solution. BE method is a stable tine discretization technique that has no limitation on time steps and can guarantee a higher accuracy during the iteration process. To minimize the non-zero number of sparse matrix and obtain a diagonal mass matrix, we apply the reduced order integral technique. A direct solver with its speed independent of the condition number is adopted for quickly solving the large-scale sparse linear equations system. To check the accuracy of our SETD algorithm, we compare our results with semi-analytical solutions for a three-layered earth model within the time lapse 10-6-10-2s for different physical meshes and SE orders. The results show that the relative errors for magnetic field B and magnetic induction are both around 3-5%. Further we calculate AEM responses for an AEM system over a 3D earth model in Figure 1. From numerical experiments for both 1D and 3D model, we draw the conclusions that: 1) SETD can deliver an accurate results for both dB/dt and B; 2) increasing SE order improves the modeling accuracy for early to middle time channels when the EM field diffuses fast so the high-order SE can model the detailed variation; 3) at very late time channels, increasing SE order has little improvement on modeling accuracy, but the time interval plays

  4. hp Spectral element methods for three dimensional elliptic problems ...

    Indian Academy of Sciences (India)

    exponential convergence. A method for obtaining a numerical solution to exponential accuracy for elliptic prob- lems on non-smooth domains in R2 was first .... The organization of this paper is as follows. In §2, we introduce the problem under.

  5. hp Spectral element methods for three dimensional elliptic problems

    Indian Academy of Sciences (India)

    on non-smooth domains using parallel computers. In three .... parallel computers. The first paper deals with the regularity of the solution in the neigh- bourhoods of vertices, edges and vertex-edges and the stability theorem. The second ..... Let wv = w(v), denote the value of w at the vertex v and let ˜ v denote the image of.

  6. A stabilised nodal spectral element method for fully nonlinear water waves

    DEFF Research Database (Denmark)

    Engsig-Karup, Allan Peter; Eskilsson, C.; Bigoni, Daniele

    2016-01-01

    We present an arbitrary-order spectral element method for general-purpose simulation of non-overturning water waves, described by fully nonlinear potential theory. The method can be viewed as a high-order extension of the classical finite element method proposed by Cai et al. (1998) [5], although...... the numerical implementation differs greatly. Features of the proposed spectral element method include: nodal Lagrange basis functions, a general quadrature-free approach and gradient recovery using global L2 projections. The quartic nonlinear terms present in the Zakharov form of the free surface conditions...... can cause severe aliasing problems and consequently numerical instability for marginally resolved or very steep waves. We show how the scheme can be stabilised through a combination of over-integration of the Galerkin projections and a mild spectral filtering on a per element basis. This effectively...

  7. The existence of semiregular solutions to elliptic spectral problems with discontinuous nonlinearities

    International Nuclear Information System (INIS)

    Pavlenko, V N; Potapov, D K

    2015-01-01

    This paper is concerned with the existence of semiregular solutions to the Dirichlet problem for an equation of elliptic type with discontinuous nonlinearity and when the differential operator is not assumed to be formally self-adjoint. Theorems on the existence of semiregular (positive and negative) solutions for the problem under consideration are given, and a principle of upper and lower solutions giving the existence of semiregular solutions is established. For positive values of the spectral parameter, elliptic spectral problems with discontinuous nonlinearities are shown to have nontrivial semiregular (positive and negative) solutions. Bibliography: 32 titles

  8. Solution of Exterior Helmholtz Problems Using Finite and Infinite Elements

    Science.gov (United States)

    Shirron, Joseph James

    This dissertation discusses methods for the computation of solutions of the Helmholtz equation in unbounded domains. Two classes of methods are considered: one in which the infinite exterior domain is truncated and finite elements are used to discretize the resultant computational domain, and another in which the exterior domain is discretized by infinite elements. For the first class of methods a generalized Robin boundary condition is imposed on the truncating surface to replace the Sommerfeld radiation condition at infinity and to ensure uniqueness of the solution. Several of these approximate radiation conditions are discussed and a comparison is presented to illustrate their efficacy. For the second class of methods finite elements are used to discretize the exterior domain out to an enclosing circle or prolate spheroid, then infinite elements are used to discretize the remaining unbounded domain. Strikingly different approximation and convergence behavior is observed depending on whether a bilinear or sesquilinear form is chosen for the variational formulation of the problem. Convergence analysis for the infinite element methods is presented for both two and three spatial dimensions. A solution method based on the idea of domain decomposition is also discussed, as are various techniques for obtaining the solution in the far field. Numerical experiments for problems of acoustic scattering by bodies of revolution convincingly demonstrate the superiority in terms of computational expense of the infinite element methods over boundary element methods.

  9. A multigrid solution method for mixed hybrid finite elements

    Energy Technology Data Exchange (ETDEWEB)

    Schmid, W. [Universitaet Augsburg (Germany)

    1996-12-31

    We consider the multigrid solution of linear equations arising within the discretization of elliptic second order boundary value problems of the form by mixed hybrid finite elements. Using the equivalence of mixed hybrid finite elements and non-conforming nodal finite elements, we construct a multigrid scheme for the corresponding non-conforming finite elements, and, by this equivalence, for the mixed hybrid finite elements, following guidelines from Arbogast/Chen. For a rectangular triangulation of the computational domain, this non-conforming schemes are the so-called nodal finite elements. We explicitly construct prolongation and restriction operators for this type of non-conforming finite elements. We discuss the use of plain multigrid and the multilevel-preconditioned cg-method and compare their efficiency in numerical tests.

  10. Solution of electromagnetic scattering and radiation problems using a spectral domain approach - A review

    Science.gov (United States)

    Mittra, R.; Ko, W. L.; Rahmat-Samii, Y.

    1979-01-01

    This paper presents a brief review of some recent developments on the use of the spectral-domain approach for deriving high-frequency solutions to electromagnetics scattering and radiation problems. The spectral approach is not only useful for interpreting the well-known Keller formulas based on the geometrical theory of diffraction (GTD), it can also be employed for verifying the accuracy of GTD and other asymptotic solutions and systematically improving the results when such improvements are needed. The problem of plane wave diffraction by a finite screen or a strip is presented as an example of the application of the spectral-domain approach.

  11. Connecting complexity with spectral entropy using the Laplace transformed solution to the fractional diffusion equation

    Science.gov (United States)

    Liang, Yingjie; Chen, Wen; Magin, Richard L.

    2016-07-01

    Analytical solutions to the fractional diffusion equation are often obtained by using Laplace and Fourier transforms, which conveniently encode the order of the time and the space derivatives (α and β) as non-integer powers of the conjugate transform variables (s, and k) for the spectral and the spatial frequencies, respectively. This study presents a new solution to the fractional diffusion equation obtained using the Laplace transform and expressed as a Fox's H-function. This result clearly illustrates the kinetics of the underlying stochastic process in terms of the Laplace spectral frequency and entropy. The spectral entropy is numerically calculated by using the direct integration method and the adaptive Gauss-Kronrod quadrature algorithm. Here, the properties of spectral entropy are investigated for the cases of sub-diffusion and super-diffusion. We find that the overall spectral entropy decreases with the increasing α and β, and that the normal or Gaussian case with α = 1 and β = 2, has the lowest spectral entropy (i.e., less information is needed to describe the state of a Gaussian process). In addition, as the neighborhood over which the entropy is calculated increases, the spectral entropy decreases, which implies a spatial averaging or coarse graining of the material properties. Consequently, the spectral entropy is shown to provide a new way to characterize the temporal correlation of anomalous diffusion. Future studies should be designed to examine changes of spectral entropy in physical, chemical and biological systems undergoing phase changes, chemical reactions and tissue regeneration.

  12. The next step in coastal numerical models: spectral/hp element methods?

    DEFF Research Database (Denmark)

    Eskilsson, Claes; Engsig-Karup, Allan Peter; Sherwin, Spencer J.

    2005-01-01

    In this paper we outline the application of spectral/hp element methods for modelling nonlinear and dispersive waves. We present one- and two-dimensional test cases for the shallow water equations and Boussinesqtype equations – including highly dispersive Boussinesq-type equations.......In this paper we outline the application of spectral/hp element methods for modelling nonlinear and dispersive waves. We present one- and two-dimensional test cases for the shallow water equations and Boussinesqtype equations – including highly dispersive Boussinesq-type equations....

  13. Solutions of group IV elements in liquid lithium

    International Nuclear Information System (INIS)

    Dadd, A.T.; Hubberstey, P.; Roberts, P.G.

    1982-01-01

    The solubilities of tin (0.00 = 22 Sn 5 . A simple thermochemical cycle is used to demonstrate that, whereas carbon dissolves endothermically in both liquid lithium and liquid sodium, the heavier Group IV elements dissolve exothermically. A similar cycle is used to derive solvation enthalpies (for the neutral gaseous species) for all Group IV elements in the two solvents. The trend in solvation enthalpy: C > Si > Ge > Sn > Pb is indicative of a diminishing affinity of solvent for solute and is attributed to the increasing metallic character of the solute as the Group is descended. (author)

  14. Determination of rare-earth elements in Luna 16 regolith sample by chemical spectral method

    Science.gov (United States)

    Stroganova, N. S.; Ryabukhin, V. A.; Laktinova, N. V.; Ageyeva, L. V.; Galkina, I. P.; Gatinskaya, N. G.; Yermakov, A. N.; Karyakin, A. V.

    1974-01-01

    An analysis was made of regolith from layer A of the Luna 16 sample for rare earth elements, by a chemical spectral method. Chemical and ion exchange concentrations were used to determine the content of 12 elements and Y at the level 0.001 to 0.0001 percent with 10 to 15 percent reproducibility of the emission determination. Results within the limits of reproducibility agree with data obtained by mass spectra, activation, and X-ray fluorescent methods.

  15. of Weak Solutions of an Abstract Evolution Equation with a Scalar Type Spectral Operator

    Directory of Open Access Journals (Sweden)

    Marat V. Markin

    2011-01-01

    Full Text Available For the evolution equation (=( with a scalar type spectral operator in a Banach space, conditions on are found that are necessary and sufficient for all weak solutions of the equation on [0,∞ to be strongly infinite differentiable on [0,∞ or [0,∞. Certain effects of smoothness improvement of the weak solutions are analyzed.

  16. A spectral-Tchebychev solution for three-dimensional dynamics of curved beams under mixed boundary conditions

    Science.gov (United States)

    Bediz, Bekir; Aksoy, Serdar

    2018-01-01

    This paper presents the application of the spectral-Tchebychev (ST) technique for solution of three-dimensional dynamics of curved beams/structures having variable and arbitrary cross-section under mixed boundary conditions. To accurately capture the vibrational behavior of curved structures, a three-dimensional (3D) solution approach is required since these structures generally exhibit coupled motions. In this study, the integral boundary value problem (IBVP) governing the dynamics of the curved structures is found using extended Hamilton's principle where the strain energy is expressed using 3D linear elasticity equation. To solve the IBVP numerically, the 3D spectral Tchebychev (3D-ST) approach is used. To evaluate the integral and derivative operations defined by the IBVP and to render the complex geometry into an equivalent straight beam with rectangular cross-section, a series of coordinate transformations are applied. To validate and assess the performance of the presented solution approach, two case studies are performed: (i) curved beam with rectangular cross-section, (ii) curved and pretwisted beam with airfoil cross-section. In both cases, the results (natural frequencies and mode shapes) are also found using a finite element (FE) solution approach. It is shown that the difference in predicted natural frequencies are less than 1%, and the mode shapes are in excellent agreement based on the modal assurance criteria (MAC) analyses; however, the presented spectral-Tchebychev solution approach significantly reduces the computational burden. Therefore, it can be concluded that the presented solution approach can capture the 3D vibrational behavior of curved beams as accurately as an FE solution, but for a fraction of the computational cost.

  17. On the utilization of novel spectral laser scanning for three-dimensional classification of vegetation elements.

    Science.gov (United States)

    Li, Zhan; Schaefer, Michael; Strahler, Alan; Schaaf, Crystal; Jupp, David

    2018-04-06

    The Dual-Wavelength Echidna Lidar (DWEL), a full waveform terrestrial laser scanner (TLS), has been used to scan a variety of forested and agricultural environments. From these scanning campaigns, we summarize the benefits and challenges given by DWEL's novel coaxial dual-wavelength scanning technology, particularly for the three-dimensional (3D) classification of vegetation elements. Simultaneous scanning at both 1064 nm and 1548 nm by DWEL instruments provides a new spectral dimension to TLS data that joins the 3D spatial dimension of lidar as an information source. Our point cloud classification algorithm explores the utilization of both spectral and spatial attributes of individual points from DWEL scans and highlights the strengths and weaknesses of each attribute domain. The spectral and spatial attributes for vegetation element classification each perform better in different parts of vegetation (canopy interior, fine branches, coarse trunks, etc.) and under different vegetation conditions (dead or live, leaf-on or leaf-off, water content, etc.). These environmental characteristics of vegetation, convolved with the lidar instrument specifications and lidar data quality, result in the actual capabilities of spectral and spatial attributes to classify vegetation elements in 3D space. The spectral and spatial information domains thus complement each other in the classification process. The joint use of both not only enhances the classification accuracy but also reduces its variance across the multiple vegetation types we have examined, highlighting the value of the DWEL as a new source of 3D spectral information. Wider deployment of the DWEL instruments is in practice currently held back by challenges in instrument development and the demands of data processing required by coaxial dual- or multi-wavelength scanning. But the simultaneous 3D acquisition of both spectral and spatial features, offered by new multispectral scanning instruments such as the DWEL, opens

  18. 2D spectral element modeling of GPR wave propagation in inhomogeneous media

    Science.gov (United States)

    Zarei, Sajad; Oskooi, Behrooz; Amini, Navid; Dalkhani, Amin Rahimi

    2016-10-01

    We present a spectral element method, for simulation of ground-penetrating radar (GPR) in two dimensions. The technique is based upon a weak formulation of the equations of Maxwell and combines the flexibility of the elemental-based methods with the accuracy of the spectral based methods. The wave field on the elements is discretized using high-degree Lagrange interpolation and integration over an element is accomplished based upon the Gauss-Lobatto-Legendre integration rule. As a result, the mass matrix and the damping matrix are always diagonal, which drastically reduces the computational cost. We first develop the formulation of 2D spectral element method (SEM) in the time-domain based on Maxwell's equations. The presented formulation is with matrix notation that simplifies the implementation of the relations in computer programs, especially in MATLAB application. We discuss the differences between spectral element method and finite-element method in the time-domain. Also, we show that the SEM numerical dispersion is much lower than FEM. To absorb waves at the edges of the modeling domain, we implement first order Clayton and Engquist absorbing boundary conditions (CE-ABC) introduced in numerical finite-difference modeling of seismic wave propagation. We used the SEM to simulate a complex model to show its abilities and limitations. As well as, one distinct advantage of SEM is that we can easily define our model features in nodal points, because the integration points and the interpolation points are similar that makes it very flexible in simulation of complex models.

  19. Stability Estimates for h-p Spectral Element Methods for Elliptic Problems

    NARCIS (Netherlands)

    Dutt, Pravir; Tomar, S.K.; Kumar, B.V. Rathish

    2002-01-01

    In a series of papers of which this is the first we study how to solve elliptic problems on polygonal domains using spectral methods on parallel computers. To overcome the singularities that arise in a neighborhood of the corners we use a geometrical mesh. With this mesh we seek a solution which

  20. Boundary element solutions for plates on elastic foundations

    International Nuclear Information System (INIS)

    Puttonen, J.; Varpasuo, P.

    1983-01-01

    Applications of the boundary element method to plate bending problems are quite sparse. The usual approach has been to treat same specific problems or types of problems. However, many practically important problems have been left without consideration. Plates on elastic foundations is one of these practically important areas and, moreover, it seems to be especially suitable to be treated with boundary element method. The analysis presented in this paper is based on the Kirchhoff plate bending theory and a fundamental singular solution is a displacement field caused by a unit lateral load acting at a point of an infinite plate resting on a linearly elastic foundation, which can be either of Winkler or Pasternak types or an elastic half space or, more generally, a foundation for which an axisymmetric external stress will result in an axisymmetric state of deformation. The derived integral equations base on the so-called direct formulation of the boundary element method. The two solution equations are formulated in terms of displacement rotation, moment and resultant boundary shear in every boundary nodal point. From these four unknown variables in every boundary node at least two has to be prescribed. The considered boundary conditions are free, simply supported and rotationally restrained edges. The developed computer code was designed to include the singular solutions for plates on Winkler, Pasternak and elastic half space foundations. These solutions were plotted and compared with each other and with available solutions in literature. The developed method has the advantage that the treatment of plates with finite dimensions and varying boundary conditions will be greatly facilitated. The analytic solution for these types of problems are rare and, moreover, the evaluating of numerical results from these solutions is a cumbersome task. (orig.)

  1. A Summary of the Space-Time Conservation Element and Solution Element (CESE) Method

    Science.gov (United States)

    Wang, Xiao-Yen J.

    2015-01-01

    The space-time Conservation Element and Solution Element (CESE) method for solving conservation laws is examined for its development motivation and design requirements. The characteristics of the resulting scheme are discussed. The discretization of the Euler equations is presented to show readers how to construct a scheme based on the CESE method. The differences and similarities between the CESE method and other traditional methods are discussed. The strengths and weaknesses of the method are also addressed.

  2. Apparatus and method using a holographic optical element for converting a spectral distribution to image points

    Science.gov (United States)

    McGill, Matthew J. (Inventor); Scott, Vibart S. (Inventor); Marzouk, Marzouk (Inventor)

    2001-01-01

    A holographic optical element transforms a spectral distribution of light to image points. The element comprises areas, each of which acts as a separate lens to image the light incident in its area to an image point. Each area contains the recorded hologram of a point source object. The image points can be made to lie in a line in the same focal plane so as to align with a linear array detector. A version of the element has been developed that has concentric equal areas to match the circular fringe pattern of a Fabry-Perot interferometer. The element has high transmission efficiency, and when coupled with high quantum efficiency solid state detectors, provides an efficient photon-collecting detection system. The element may be used as part of the detection system in a direct detection Doppler lidar system or multiple field of view lidar system.

  3. Spectral element method for elastic and acoustic waves in frequency domain

    International Nuclear Information System (INIS)

    Shi, Linlin; Zhou, Yuanguo; Wang, Jia-Min; Zhuang, Mingwei; Liu, Na; Liu, Qing Huo

    2016-01-01

    Numerical techniques in time domain are widespread in seismic and acoustic modeling. In some applications, however, frequency-domain techniques can be advantageous over the time-domain approach when narrow band results are desired, especially if multiple sources can be handled more conveniently in the frequency domain. Moreover, the medium attenuation effects can be more accurately and conveniently modeled in the frequency domain. In this paper, we present a spectral-element method (SEM) in frequency domain to simulate elastic and acoustic waves in anisotropic, heterogeneous, and lossy media. The SEM is based upon the finite-element framework and has exponential convergence because of the use of GLL basis functions. The anisotropic perfectly matched layer is employed to truncate the boundary for unbounded problems. Compared with the conventional finite-element method, the number of unknowns in the SEM is significantly reduced, and higher order accuracy is obtained due to its spectral accuracy. To account for the acoustic-solid interaction, the domain decomposition method (DDM) based upon the discontinuous Galerkin spectral-element method is proposed. Numerical experiments show the proposed method can be an efficient alternative for accurate calculation of elastic and acoustic waves in frequency domain.

  4. Spectral element method for elastic and acoustic waves in frequency domain

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Linlin; Zhou, Yuanguo; Wang, Jia-Min; Zhuang, Mingwei [Institute of Electromagnetics and Acoustics, and Department of Electronic Science, Xiamen, 361005 (China); Liu, Na, E-mail: liuna@xmu.edu.cn [Institute of Electromagnetics and Acoustics, and Department of Electronic Science, Xiamen, 361005 (China); Liu, Qing Huo, E-mail: qhliu@duke.edu [Department of Electrical and Computer Engineering, Duke University, Durham, NC, 27708 (United States)

    2016-12-15

    Numerical techniques in time domain are widespread in seismic and acoustic modeling. In some applications, however, frequency-domain techniques can be advantageous over the time-domain approach when narrow band results are desired, especially if multiple sources can be handled more conveniently in the frequency domain. Moreover, the medium attenuation effects can be more accurately and conveniently modeled in the frequency domain. In this paper, we present a spectral-element method (SEM) in frequency domain to simulate elastic and acoustic waves in anisotropic, heterogeneous, and lossy media. The SEM is based upon the finite-element framework and has exponential convergence because of the use of GLL basis functions. The anisotropic perfectly matched layer is employed to truncate the boundary for unbounded problems. Compared with the conventional finite-element method, the number of unknowns in the SEM is significantly reduced, and higher order accuracy is obtained due to its spectral accuracy. To account for the acoustic-solid interaction, the domain decomposition method (DDM) based upon the discontinuous Galerkin spectral-element method is proposed. Numerical experiments show the proposed method can be an efficient alternative for accurate calculation of elastic and acoustic waves in frequency domain.

  5. Hybrid Fundamental Solution Based Finite Element Method: Theory and Applications

    Directory of Open Access Journals (Sweden)

    Changyong Cao

    2015-01-01

    Full Text Available An overview on the development of hybrid fundamental solution based finite element method (HFS-FEM and its application in engineering problems is presented in this paper. The framework and formulations of HFS-FEM for potential problem, plane elasticity, three-dimensional elasticity, thermoelasticity, anisotropic elasticity, and plane piezoelectricity are presented. In this method, two independent assumed fields (intraelement filed and auxiliary frame field are employed. The formulations for all cases are derived from the modified variational functionals and the fundamental solutions to a given problem. Generation of elemental stiffness equations from the modified variational principle is also described. Typical numerical examples are given to demonstrate the validity and performance of the HFS-FEM. Finally, a brief summary of the approach is provided and future trends in this field are identified.

  6. Nonlinear Legendre Spectral Finite Elements for Wind Turbine Blade Dynamics: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Q.; Sprague, M. A.; Jonkman, J.; Johnson, N.

    2014-01-01

    This paper presents a numerical implementation and examination of new wind turbine blade finite element model based on Geometrically Exact Beam Theory (GEBT) and a high-order spectral finite element method. The displacement-based GEBT is presented, which includes the coupling effects that exist in composite structures and geometric nonlinearity. Legendre spectral finite elements (LSFEs) are high-order finite elements with nodes located at the Gauss-Legendre-Lobatto points. LSFEs can be an order of magnitude more efficient that low-order finite elements for a given accuracy level. Interpolation of the three-dimensional rotation, a major technical barrier in large-deformation simulation, is discussed in the context of LSFEs. It is shown, by numerical example, that the high-order LSFEs, where weak forms are evaluated with nodal quadrature, do not suffer from a drawback that exists in low-order finite elements where the tangent-stiffness matrix is calculated at the Gauss points. Finally, the new LSFE code is implemented in the new FAST Modularization Framework for dynamic simulation of highly flexible composite-material wind turbine blades. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples showing validation and LSFE performance will be provided in the final paper.

  7. Numerical Solution of Nonlinear Fredholm Integro-Differential Equations Using Spectral Homotopy Analysis Method

    Directory of Open Access Journals (Sweden)

    Z. Pashazadeh Atabakan

    2013-01-01

    Full Text Available Spectral homotopy analysis method (SHAM as a modification of homotopy analysis method (HAM is applied to obtain solution of high-order nonlinear Fredholm integro-differential problems. The existence and uniqueness of the solution and convergence of the proposed method are proved. Some examples are given to approve the efficiency and the accuracy of the proposed method. The SHAM results show that the proposed approach is quite reasonable when compared to homotopy analysis method, Lagrange interpolation solutions, and exact solutions.

  8. Special function solutions of a spectral problem for a nonlinear quantum oscillator

    International Nuclear Information System (INIS)

    Schulze-Halberg, A; Morris, J R

    2012-01-01

    We construct exact solutions of a spectral problem involving the Schrödinger equation for a nonlinear, one-parameter oscillator potential. In contrast to a previous analysis of the problem (Carinena et al 2007 Ann. Phys. 322 434–59), where solutions were given through a Rodrigues-type formula, our approach leads to closed-form representations of the solutions in terms of special functions, not containing any derivative operators. We show normalizability and orthogonality of our solutions, as well as correct reduction of the problem to the harmonic oscillator model, if the parameter in the potential gets close to zero. (paper)

  9. Extraction of transplutonium elements from carbonate solutions by alkylpyrocatechol

    International Nuclear Information System (INIS)

    Karalova, Z.K.; Myasoedov, B.F.; Rodionova, L.M.; Kuznetsova, V.S.

    1983-01-01

    Extraction of americium, berkelium as well as Ce, Eu, Th, U, Zr, Cs, Fe with solution of 4(α, α-dioctylethyl)pyrocatechol (DOP) in toluene from carbonate solutions to determine conditions of their separation has been studied. It is established that americium extraction is quite sensitive to the changes of potassium carbonate concentration. The maximum extraction of americium (R >90%) is observed in the case of 0.1-0.5 mol/l of K 2 CO 3 solutions and the minimum one (R=2.5%) - in the case of 8 mol/l K 2 CO 3 . Americium extraction increases sharply when sodium hydroxide is introduced in carbonate solutions. It is shown that varying sodium hydroxide concentration it is possible to achieve qualitative extraction of americium even from saturated solution of potassium carbonate. Reextraction of TPE is easily realized with 3 mol/l HCl solution. The system K 2 CO 3 (KOH)-DOP proved to be perspective for Am separation from Bk, Ce, Cs, actinoid elements as well as from Fe

  10. Numerical Solution of Nonlinear Fredholm Integro-Differential Equations Using Spectral Homotopy Analysis Method

    OpenAIRE

    Z. Pashazadeh Atabakan; A. Kazemi Nasab; A. Kılıçman; Zainidin K. Eshkuvatov

    2013-01-01

    Spectral homotopy analysis method (SHAM) as a modification of homotopy analysis method (HAM) is applied to obtain solution of high-order nonlinear Fredholm integro-differential problems. The existence and uniqueness of the solution and convergence of the proposed method are proved. Some examples are given to approve the efficiency and the accuracy of the proposed method. The SHAM results show that the proposed approach is quite reasonable when compared to homotopy analysis method, Lagrange i...

  11. Co-simulation coupling spectral/finite elements for 3D soil/structure interaction problems

    Science.gov (United States)

    Zuchowski, Loïc; Brun, Michael; De Martin, Florent

    2018-05-01

    The coupling between an implicit finite elements (FE) code and an explicit spectral elements (SE) code has been explored for solving the elastic wave propagation in the case of soil/structure interaction problem. The coupling approach is based on domain decomposition methods in transient dynamics. The spatial coupling at the interface is managed by a standard coupling mortar approach, whereas the time integration is dealt with an hybrid asynchronous time integrator. An external coupling software, handling the interface problem, has been set up in order to couple the FE software Code_Aster with the SE software EFISPEC3D.

  12. 3D time-domain spectral elements for stress waves modelling

    International Nuclear Information System (INIS)

    Kudela, P; Ostachowicz, W

    2009-01-01

    Elastic stress waves induced by piezoelectric transducers are extensively used for damage detection purposes. Induced high frequency impulse signals cause that stress wave modelling by the finite element method is inefficient. Instead, numerical model based on the time-domain spectral element method has been developed to simulate stress wave propagation in metallic structures induced by the piezoelectric transducers. The model solves the coupled electromechanical field equations simultaneously in three-dimensional case. Visualisation of the propagating elastic waves generated by the actuator of different shapes and properties has been performed.

  13. The Spectral/hp-Finite Element Method for Partial Differential Equations

    DEFF Research Database (Denmark)

    Engsig-Karup, Allan Peter

    2009-01-01

    dimensions. In the course the chosen programming environment is Matlab, however, this is by no means a necessary requirement. The mathematical level needed to grasp the details of this set of notes requires an elementary background in mathematical analysis and linear algebra. Each chapter is supplemented......This set of lecture notes provides an elementary introduction to both the classical Finite Element Method (FEM) and the extended Spectral/$hp$-Finite Element Method for solving Partial Differential Equations (PDEs). Many problems in science and engineering can be formulated mathematically...

  14. Spectral Approach to Derive the Representation Formulae for Solutions of the Wave Equation

    Directory of Open Access Journals (Sweden)

    Gusein Sh. Guseinov

    2012-01-01

    Full Text Available Using spectral properties of the Laplace operator and some structural formula for rapidly decreasing functions of the Laplace operator, we offer a novel method to derive explicit formulae for solutions to the Cauchy problem for classical wave equation in arbitrary dimensions. Among them are the well-known d'Alembert, Poisson, and Kirchhoff representation formulae in low space dimensions.

  15. A spectral-element discontinuous Galerkin lattice Boltzmann method for nearly incompressible flows

    Science.gov (United States)

    Min, Misun; Lee, Taehun

    2011-01-01

    We present a spectral-element discontinuous Galerkin lattice Boltzmann method for solving nearly incompressible flows. Decoupling the collision step from the streaming step offers numerical stability at high Reynolds numbers. In the streaming step, we employ high-order spectral-element discontinuous Galerkin discretizations using a tensor product basis of one-dimensional Lagrange interpolation polynomials based on Gauss-Lobatto-Legendre grids. Our scheme is cost-effective with a fully diagonal mass matrix, advancing time integration with the fourth-order Runge-Kutta method. We present a consistent treatment for imposing boundary conditions with a numerical flux in the discontinuous Galerkin approach. We show convergence studies for Couette flows and demonstrate two benchmark cases with lid-driven cavity flows for Re = 400-5000 and flows around an impulsively started cylinder for Re = 550-9500. Computational results are compared with those of other theoretical and computational work that used a multigrid method, a vortex method, and a spectral element model.

  16. High-Resolution Genuinely Multidimensional Solution of Conservation Laws by the Space-Time Conservation Element and Solution Element Method

    Science.gov (United States)

    Himansu, Ananda; Chang, Sin-Chung; Yu, Sheng-Tao; Wang, Xiao-Yen; Loh, Ching-Yuen; Jorgenson, Philip C. E.

    1999-01-01

    In this overview paper, we review the basic principles of the method of space-time conservation element and solution element for solving the conservation laws in one and two spatial dimensions. The present method is developed on the basis of local and global flux conservation in a space-time domain, in which space and time are treated in a unified manner. In contrast to the modern upwind schemes, the approach here does not use the Riemann solver and the reconstruction procedure as the building blocks. The drawbacks of the upwind approach, such as the difficulty of rationally extending the 1D scalar approach to systems of equations and particularly to multiple dimensions is here contrasted with the uniformity and ease of generalization of the Conservation Element and Solution Element (CE/SE) 1D scalar schemes to systems of equations and to multiple spatial dimensions. The assured compatibility with the simplest type of unstructured meshes, and the uniquely simple nonreflecting boundary conditions of the present method are also discussed. The present approach has yielded high-resolution shocks, rarefaction waves, acoustic waves, vortices, ZND detonation waves, and shock/acoustic waves/vortices interactions. Moreover, since no directional splitting is employed, numerical resolution of two-dimensional calculations is comparable to that of the one-dimensional calculations. Some sample applications displaying the strengths and broad applicability of the CE/SE method are reviewed.

  17. Solution of the neutronics code dynamic benchmark by finite element method

    Science.gov (United States)

    Avvakumov, A. V.; Vabishchevich, P. N.; Vasilev, A. O.; Strizhov, V. F.

    2016-10-01

    The objective is to analyze the dynamic benchmark developed by Atomic Energy Research for the verification of best-estimate neutronics codes. The benchmark scenario includes asymmetrical ejection of a control rod in a water-type hexagonal reactor at hot zero power. A simple Doppler feedback mechanism assuming adiabatic fuel temperature heating is proposed. The finite element method on triangular calculation grids is used to solve the three-dimensional neutron kinetics problem. The software has been developed using the engineering and scientific calculation library FEniCS. The matrix spectral problem is solved using the scalable and flexible toolkit SLEPc. The solution accuracy of the dynamic benchmark is analyzed by condensing calculation grid and varying degree of finite elements.

  18. Simulation of ultrasonic wave propagation in anisotropic poroelastic bone plate using hybrid spectral/finite element method.

    Science.gov (United States)

    Nguyen, Vu-Hieu; Naili, Salah

    2012-08-01

    This paper deals with the modeling of guided waves propagation in in vivo cortical long bone, which is known to be anisotropic medium with functionally graded porosity. The bone is modeled as an anisotropic poroelastic material by using Biot's theory formulated in high frequency domain. A hybrid spectral/finite element formulation has been developed to find the time-domain solution of ultrasonic waves propagating in a poroelastic plate immersed in two fluid halfspaces. The numerical technique is based on a combined Laplace-Fourier transform, which allows to obtain a reduced dimension problem in the frequency-wavenumber domain. In the spectral domain, as radiation conditions representing infinite fluid halfspaces may be exactly introduced, only the heterogeneous solid layer needs to be analyzed by using finite element method. Several numerical tests are presented showing very good performance of the proposed procedure. A preliminary study on the first arrived signal velocities computed by using equivalent elastic and poroelastic models will be presented. Copyright © 2012 John Wiley & Sons, Ltd.

  19. Space-time coupled spectral/hp least-squares finite element formulation for the incompressible Navier-Stokes equations

    International Nuclear Information System (INIS)

    Pontaza, J.P.; Reddy, J.N.

    2004-01-01

    We consider least-squares finite element models for the numerical solution of the non-stationary Navier-Stokes equations governing viscous incompressible fluid flows. The paper presents a formulation where the effects of space and time are coupled, resulting in a true space-time least-squares minimization procedure, as opposed to a space-time decoupled formulation where a least-squares minimization procedure is performed in space at each time step. The formulation is first presented for the linear advection-diffusion equation and then extended to the Navier-Stokes equations. The formulation has no time step stability restrictions and is spectrally accurate in both space and time. To allow the use of practical C 0 element expansions in the resulting finite element model, the Navier-Stokes equations are expressed as an equivalent set of first-order equations by introducing vorticity as an additional independent variable and the least-squares method is used to develop the finite element model of the governing equations. High-order element expansions are used to construct the discrete model. The discrete model thus obtained is linearized by Newton's method, resulting in a linear system of equations with a symmetric positive definite coefficient matrix that is solved in a fully coupled manner by a preconditioned conjugate gradient method in matrix-free form. Spectral convergence of the L 2 least-squares functional and L 2 error norms in space-time is verified using a smooth solution to the two-dimensional non-stationary incompressible Navier-Stokes equations. Numerical results are presented for impulsively started lid-driven cavity flow, oscillatory lid-driven cavity flow, transient flow over a backward-facing step, and flow around a circular cylinder; the results demonstrate the predictive capability and robustness of the proposed formulation. Even though the space-time coupled formulation is emphasized, we also present the formulation and numerical results for least

  20. On the spectral analysis of iterative solutions of the discretized one-group transport equation

    International Nuclear Information System (INIS)

    Sanchez, Richard

    2004-01-01

    We analyze the Fourier-mode technique used for the spectral analysis of iterative solutions of the one-group discretized transport equation. We introduce a direct spectral analysis for the iterative solution of finite difference approximations for finite slabs composed of identical layers, providing thus a complementary analysis that is more appropriate for reactor applications. Numerical calculations for the method of characteristics and with the diamond difference approximation show the appearance of antisymmetric modes generated by the iteration on boundary data. We have also utilized the discrete Fourier transform to compute the spectrum for a periodic slab containing N identical layers and shown that at the limit N → ∞ one obtains the familiar Fourier-mode solution

  1. Element-specific spectral imaging of multiple contrast agents: a phantom study

    Science.gov (United States)

    Panta, R. K.; Bell, S. T.; Healy, J. L.; Aamir, R.; Bateman, C. J.; Moghiseh, M.; Butler, A. P. H.; Anderson, N. G.

    2018-02-01

    This work demonstrates the feasibility of simultaneous discrimination of multiple contrast agents based on their element-specific and energy-dependent X-ray attenuation properties using a pre-clinical photon-counting spectral CT. We used a photon-counting based pre-clinical spectral CT scanner with four energy thresholds to measure the X-ray attenuation properties of various concentrations of iodine (9, 18 and 36 mg/ml), gadolinium (2, 4 and 8 mg/ml) and gold (2, 4 and 8 mg/ml) based contrast agents, calcium chloride (140 and 280 mg/ml) and water. We evaluated the spectral imaging performances of different energy threshold schemes between 25 to 82 keV at 118 kVp, based on K-factor and signal-to-noise ratio and ranked them. K-factor was defined as the X-ray attenuation in the K-edge containing energy range divided by the X-ray attenuation in the preceding energy range, expressed as a percentage. We evaluated the effectiveness of the optimised energy selection to discriminate all three contrast agents in a phantom of 33 mm diameter. A photon-counting spectral CT using four energy thresholds of 27, 33, 49 and 81 keV at 118 kVp simultaneously discriminated three contrast agents based on iodine, gadolinium and gold at various concentrations using their K-edge and energy-dependent X-ray attenuation features in a single scan. A ranking method to evaluate spectral imaging performance enabled energy thresholds to be optimised to discriminate iodine, gadolinium and gold contrast agents in a single spectral CT scan. Simultaneous discrimination of multiple contrast agents in a single scan is likely to open up new possibilities of improving the accuracy of disease diagnosis by simultaneously imaging multiple bio-markers each labelled with a nano-contrast agent.

  2. Turbulence statistics in a spectral element code: a toolbox for High-Fidelity Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Vinuesa, Ricardo [KTH Mechanics, Stockholm (Sweden); Swedish e-Science Research Center (SeRC), Stockholm (Sweden); Fick, Lambert [Argonne National Lab. (ANL), Argonne, IL (United States); Negi, Prabal [KTH Mechanics, Stockholm (Sweden); Swedish e-Science Research Center (SeRC), Stockholm (Sweden); Marin, Oana [Argonne National Lab. (ANL), Argonne, IL (United States); Merzari, Elia [Argonne National Lab. (ANL), Argonne, IL (United States); Schlatter, Phillip [KTH Mechanics, Stockholm (Sweden); Swedish e-Science Research Center (SeRC), Stockholm (Sweden)

    2017-02-01

    In the present document we describe a toolbox for the spectral-element code Nek5000, aimed at computing turbulence statistics. The toolbox is presented for a small test case, namely a square duct with Lx = 2h, Ly = 2h and Lz = 4h, where x, y and z are the horizontal, vertical and streamwise directions, respectively. The number of elements in the xy-plane is 16 X 16 = 256, and the number of elements in z is 4, leading to a total of 1,204 spectral elements. A polynomial order of N = 5 is chosen, and the mesh is generated using the Nek5000 tool genbox. The toolbox presented here allows to compute mean-velocity components, the Reynolds-stress tensor as well as turbulent kinetic energy (TKE) and Reynolds-stress budgets. Note that the present toolbox allows to compute turbulence statistics in turbulent flows with one homogeneous direction (where the statistics are based on time-averaging as well as averaging in the homogeneous direction), as well as in fully three-dimensional flows (with no periodic directions, where only time-averaging is considered).

  3. Steady and Unsteady Nozzle Simulations Using the Conservation Element and Solution Element Method

    Science.gov (United States)

    Friedlander, David Joshua; Wang, Xiao-Yen J.

    2014-01-01

    This paper presents results from computational fluid dynamic (CFD) simulations of a three-stream plug nozzle. Time-accurate, Euler, quasi-1D and 2D-axisymmetric simulations were performed as part of an effort to provide a CFD-based approach to modeling nozzle dynamics. The CFD code used for the simulations is based on the space-time Conservation Element and Solution Element (CESE) method. Steady-state results were validated using the Wind-US code and a code utilizing the MacCormack method while the unsteady results were partially validated via an aeroacoustic benchmark problem. The CESE steady-state flow field solutions showed excellent agreement with solutions derived from the other methods and codes while preliminary unsteady results for the three-stream plug nozzle are also shown. Additionally, a study was performed to explore the sensitivity of gross thrust computations to the control surface definition. The results showed that most of the sensitivity while computing the gross thrust is attributed to the control surface stencil resolution and choice of stencil end points and not to the control surface definition itself.Finally, comparisons between the quasi-1D and 2D-axisymetric solutions were performed in order to gain insight on whether a quasi-1D solution can capture the steady and unsteady nozzle phenomena without the cost of a 2D-axisymmetric simulation. Initial results show that while the quasi-1D solutions are similar to the 2D-axisymmetric solutions, the inability of the quasi-1D simulations to predict two dimensional phenomena limits its accuracy.

  4. Towards an Entropy Stable Spectral Element Framework for Computational Fluid Dynamics

    KAUST Repository

    Carpenter, Mark H.

    2016-01-04

    Nonlinearly stable finite element methods of arbitrary type and order, are currently unavailable for discretizations of the compressible Navier-Stokes equations. Summation-by-parts (SBP) entropy stability analysis provides a means of constructing nonlinearly stable discrete operators of arbitrary order, but is currently limited to simple element types. Herein, recent progress is reported, on developing entropy-stable (SS) discontinuous spectral collocation formulations for hexahedral elements. Two complementary efforts are discussed. The first effort generalizes previous SS spectral collocation work to extend the applicable set of points from tensor product, Legendre-Gauss-Lobatto (LGL) to tensor product Legendre-Gauss (LG) points. The LG and LGL point formulations are compared on a series of test problems. Both the LGL and LG operators are of comparable efficiency and robustness, as is demonstrated using test problems for which conventional FEM techniques suffer instability. The second effort extends previous work on entropy stability to include p-refinement at nonconforming interfaces. A generalization of existing entropy stability theory is required to accommodate the nuances of fully multidimensional SBP operators. The entropy stability of the compressible Euler equations on nonconforming interfaces is demonstrated using the newly developed LG operators and multidimensional interface interpolation operators. Preliminary studies suggest design order accuracy at nonconforming interfaces.

  5. A Spectral Method for Color Quantitation of a Protein Drug Solution.

    Science.gov (United States)

    Swartz, Trevor E; Yin, Jian; Patapoff, Thomas W; Horst, Travis; Skieresz, Susan M; Leggett, Gordon; Morgan, Charles J; Rahimi, Kimia; Marhoul, Joseph; Kabakoff, Bruce

    2016-01-01

    Color is an important quality attribute for biotherapeutics. In the biotechnology industry, a visual method is most commonly utilized for color characterization of liquid drug protein solutions. The color testing method is used for both batch release and on stability testing for quality control. Using that method, an analyst visually determines the color of the sample by choosing the closest matching European Pharmacopeia reference color solution. The requirement to judge the best match makes it a subjective method. Furthermore, the visual method does not capture data on hue or chroma that would allow for improved product characterization and the ability to detect subtle differences between samples. To overcome these challenges, we describe a quantitative method for color determination that greatly reduces the variability in measuring color and allows for a more precise understanding of color differences. Following color industry standards established by International Commission on Illumination, this method converts a protein solution's visible absorption spectra to L*a*b* color space. Color matching is achieved within the L*a*b* color space, a practice that is already widely used in other industries. The work performed here is to facilitate the adoption and transition for the traditional visual assessment method to a quantitative spectral method. We describe here the algorithm used such that the quantitative spectral method correlates with the currently used visual method. In addition, we provide the L*a*b* values for the European Pharmacopeia reference color solutions required for the quantitative method. We have determined these L*a*b* values by gravimetrically preparing and measuring multiple lots of the reference color solutions. We demonstrate that the visual assessment and the quantitative spectral method are comparable using both low- and high-concentration antibody solutions and solutions with varying turbidity. In the biotechnology industry, a visual

  6. Raman spectral, elemental, crystallinity, and oxygen-isotope variations in conodont apatite during diagenesis

    Science.gov (United States)

    Zhang, Lei; Cao, Ling; Zhao, Laishi; Algeo, Thomas J.; Chen, Zhong-Qiang; Li, Zhihong; Lv, Zhengyi; Wang, Xiangdong

    2017-08-01

    Conodont apatite has long been used in paleoenvironmental studies, often with minimal evaluation of the influence of diagenesis on measured elemental and isotopic signals. In this study, we evaluate diagenetic influences on conodonts using an integrated set of analytical techniques. A total of 92 points in 19 coniform conodonts from Ordovician marine units of South China were analyzed by micro-laser Raman spectroscopy (M-LRS), laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), high-resolution X-ray microdiffraction (HXRD), and secondary ion mass spectrometry (SIMS). Each conodont element was analyzed along its full length, including the albid crown, hyaline crown, and basal body, in either a whole specimen (i.e., reflecting the composition of its outer layer) or a split specimen (i.e., reflecting the composition of its interior). In the conodonts of this study, the outer surfaces consist of hydroxyfluorapatite and the interiors of strontian hydroxyfluorapatite. Ionic substitutions resulted in characteristic Raman spectral shifts in the position (SS1) and width (SS2) of the ν1-PO43- stretching band. Although multiple elements were enriched (Sr2+, Mg2+) and depleted (Fe3+, Mn2+, Ca2+) during diagenesis, geochemical modeling constraints and known Raman spectral patterns suggest that Sr uptake was the dominant influence on diagenetic redshifts of SS1. All study specimens show lower SS2 values than modern bioapatite and synthetic apatite, suggesting that band width decreases with time in ancient bioapatite, possibly through an annealing process that produces larger, more uniform crystal domains. Most specimens consist mainly of amorphous or poorly crystalline apatite, which is inferred to represent the original microstructure of conodonts. In a subset of specimens, some tissues (especially albid crown) exhibit an increased degree of crystallinity developed through aggrading neomorphism. However, no systematic relationship was observed between

  7. [Analysis of the mineral elements of Lactuca sativa under the condition of different spectral components].

    Science.gov (United States)

    Chen, Xiao-Li; Guo, Wen-Zhong; Xue, Xu-Zhang; Wang, Li-Chun; Li, Liang; Chen, Fei

    2013-08-01

    Mineral elements absorption and content of Lactuca sativa under different spectral component conditions were studied by ICP-AES technology. The results showed that: (1) For Lactuca sativa, the average proportion for Ca : Mg : K : Na : P was 5.5 : 2.5 : 2.3 : 1.5 : 1.0, the average proportion for Fe : Mn : Zn : Cu : B was 25.9 : 5.9 : 2.8 : 1.1 : 1.0; (2) The absorptions for K, P, Ca, Mg and B are the largest under the LED treatment R/B = 1 : 2.75, red light from fluorescent lamps and LED can both promote the absorptions of Fe and Cu; (3)The LED treatments exhibiting relatively higher content of mineral elements are R/B = 1 : 2.75 and R/W = 1 : 1 while higher dry matter accumulations are R/B = 1 : 2.75 and B/W = 1 : 1.

  8. Boundary element method solution for large scale cathodic protection problems

    Science.gov (United States)

    Rodopoulos, D. C.; Gortsas, T. V.; Tsinopoulos, S. V.; Polyzos, D.

    2017-12-01

    Cathodic protection techniques are widely used for avoiding corrosion sequences in offshore structures. The Boundary Element Method (BEM) is an ideal method for solving such problems because requires only the meshing of the boundary and not the whole domain of the electrolyte as the Finite Element Method does. This advantage becomes more pronounced in cathodic protection systems since electrochemical reactions occur mainly on the surface of the metallic structure. The present work aims to solve numerically a sacrificial cathodic protection problem for a large offshore platform. The solution of that large-scale problem is accomplished by means of “PITHIA Software” a BEM package enhanced by Hierarchical Matrices (HM) and Adaptive Cross Approximation (ACA) techniques that accelerate drastically the computations and reduce memory requirements. The nonlinear polarization curves for steel and aluminium in seawater are employed as boundary condition for the under protection metallic surfaces and aluminium anodes, respectively. The potential as well as the current density at all the surface of the platform are effectively evaluated and presented.

  9. Numerical modeling of wave propagation in functionally graded materials using time-domain spectral Chebyshev elements

    Science.gov (United States)

    Hedayatrasa, Saeid; Bui, Tinh Quoc; Zhang, Chuanzeng; Lim, Chee Wah

    2014-02-01

    Numerical modeling of the Lamb wave propagation in functionally graded materials (FGMs) by a two-dimensional time-domain spectral finite element method (SpFEM) is presented. The high-order Chebyshev polynomials as approximation functions are used in the present formulation, which provides the capability to take into account the through thickness variation of the material properties. The efficiency and accuracy of the present model with one and two layers of 5th order spectral elements in modeling wave propagation in FGM plates are analyzed. Different excitation frequencies in a wide range of 28-350 kHz are investigated, and the dispersion properties obtained by the present model are verified by reference results. The through thickness wave structure of two principal Lamb modes are extracted and analyzed by the symmetry and relative amplitude of the vertical and horizontal oscillations. The differences with respect to Lamb modes generated in homogeneous plates are explained. Zero-crossing and wavelet signal processing-spectrum decomposition procedures are implemented to obtain phase and group velocities and their dispersion properties. So it is attested how this approach can be practically employed for simulation, calibration and optimization of Lamb wave based nondestructive evaluation techniques for the FGMs. The capability of modeling stress wave propagation through the thickness of an FGM specimen subjected to impact load is also investigated, which shows that the present method is highly accurate as compared with other existing reference data.

  10. Spectral-element Method for 3D Marine Controlled-source EM Modeling

    Science.gov (United States)

    Liu, L.; Yin, C.; Zhang, B., Sr.; Liu, Y.; Qiu, C.; Huang, X.; Zhu, J.

    2017-12-01

    As one of the predrill reservoir appraisal methods, marine controlled-source EM (MCSEM) has been widely used in mapping oil reservoirs to reduce risk of deep water exploration. With the technical development of MCSEM, the need for improved forward modeling tools has become evident. We introduce in this paper spectral element method (SEM) for 3D MCSEM modeling. It combines the flexibility of finite-element and high accuracy of spectral method. We use Galerkin weighted residual method to discretize the vector Helmholtz equation, where the curl-conforming Gauss-Lobatto-Chebyshev (GLC) polynomials are chosen as vector basis functions. As a kind of high-order complete orthogonal polynomials, the GLC have the characteristic of exponential convergence. This helps derive the matrix elements analytically and improves the modeling accuracy. Numerical 1D models using SEM with different orders show that SEM method delivers accurate results. With increasing SEM orders, the modeling accuracy improves largely. Further we compare our SEM with finite-difference (FD) method for a 3D reservoir model (Figure 1). The results show that SEM method is more effective than FD method. Only when the mesh is fine enough, can FD achieve the same accuracy of SEM. Therefore, to obtain the same precision, SEM greatly reduces the degrees of freedom and cost. Numerical experiments with different models (not shown here) demonstrate that SEM is an efficient and effective tool for MSCEM modeling that has significant advantages over traditional numerical methods.This research is supported by Key Program of National Natural Science Foundation of China (41530320), China Natural Science Foundation for Young Scientists (41404093), and Key National Research Project of China (2016YFC0303100, 2017YFC0601900).

  11. Spectral stability of undercompressive shock profile solutions of a modified KdV-Burgers equation

    Directory of Open Access Journals (Sweden)

    Jeff Dodd

    2007-10-01

    Full Text Available It is shown that certain undercompressive shock profile solutions of the modified Korteweg-de Vries-Burgers equation $$ partial_t u + partial_x(u^3 = partial_x^3 u + alpha partial_x^2 u, quad alpha geq 0 $$ are spectrally stable when $alpha$ is sufficiently small, in the sense that their linearized perturbation equations admit no eigenvalues having positive real part except a simple eigenvalue of zero (due to the translation invariance of the linearized perturbation equations. This spectral stability makes it possible to apply a theory of Howard and Zumbrun to immediately deduce the asymptotic orbital stability of these undercompressive shock profiles when $alpha$ is sufficiently small and positive.

  12. Fluorescence spectral studies of Gum Arabic: Multi-emission of Gum Arabic in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Dhenadhayalan, Namasivayam, E-mail: ndhena@gmail.com [Department of Chemistry, National Taiwan University, Taipei, Taiwan (China); Mythily, Rajan, E-mail: rajanmythily@gmail.com [Department of Chemistry, Dwaraka Doss Goverdhan Doss Vaishnav College (Autonomous), 833, Gokul Bagh, E.V.R. Periyar Road, Arumbakkam, Chennai 600 106 (India); Kumaran, Rajendran, E-mail: kumaranwau@rediffmail.com [Department of Chemistry, Dwaraka Doss Goverdhan Doss Vaishnav College (Autonomous), 833, Gokul Bagh, E.V.R. Periyar Road, Arumbakkam, Chennai 600 106 (India)

    2014-11-15

    Gum Arabic (GA), a food hydrocolloid is a natural composite obtained from the stems and branches of Acacia Senegal and Acacia Seyal trees. GA structure is made up of highly branched arabinogalactan polysaccharides. Steady-state absorption, fluorescence, and time-resolved fluorescence spectral studies of acid hydrolyzed GA solutions were carried out at various pH conditions. The fluorescence in GA is predominantly attributed to the presence of tyrosine and phenylalanine amino acids. The presence of multi-emissive peaks at different pH condition is attributed to the exposure of the fluorescing amino acids to the aqueous phase, which contains several sugar units, hydrophilic and hydrophobic moieties. Time-resolved fluorescence studies of GA exhibits a multi-exponential decay with different fluorescence lifetime of varying amplitude which confirms that tyrosine is confined to a heterogeneous microenvironment. The existence of multi-emissive peaks with large variation in the fluorescence intensities were established by 3D emission contour spectral studies. The probable location of the fluorophore in a heterogeneous environment was further ascertained by constructing a time-resolved emission spectrum (TRES) and time-resolved area normalized emission spectrum (TRANES) plots. Fluorescence spectral technique is used as an analytical tool in understanding the photophysical properties of a water soluble complex food hydrocolloid containing an intrinsic fluorophore located in a multiple environment is illustrated. - Highlights: • The Manuscript deals with the steady state absorption, emission, fluorescence lifetime and time-resolved emission spectrum studies of Gum Arabic in aqueous medium at various pH conditions. • The fluorescence emanates from the tyrosine amino acid present in GA. • Change in pH results in marked variation in the fluorescence spectral properties of tyrosine. • Fluorescence spectral techniques are employed as a tool in establishing the

  13. Higher-order triangular spectral element method with optimized cubature points for seismic wavefield modeling

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Youshan, E-mail: ysliu@mail.iggcas.ac.cn [State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing, 100029 (China); Teng, Jiwen, E-mail: jwteng@mail.iggcas.ac.cn [State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing, 100029 (China); Xu, Tao, E-mail: xutao@mail.iggcas.ac.cn [State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing, 100029 (China); CAS Center for Excellence in Tibetan Plateau Earth Sciences, Beijing, 100101 (China); Badal, José, E-mail: badal@unizar.es [Physics of the Earth, Sciences B, University of Zaragoza, Pedro Cerbuna 12, 50009 Zaragoza (Spain)

    2017-05-01

    The mass-lumped method avoids the cost of inverting the mass matrix and simultaneously maintains spatial accuracy by adopting additional interior integration points, known as cubature points. To date, such points are only known analytically in tensor domains, such as quadrilateral or hexahedral elements. Thus, the diagonal-mass-matrix spectral element method (SEM) in non-tensor domains always relies on numerically computed interpolation points or quadrature points. However, only the cubature points for degrees 1 to 6 are known, which is the reason that we have developed a p-norm-based optimization algorithm to obtain higher-order cubature points. In this way, we obtain and tabulate new cubature points with all positive integration weights for degrees 7 to 9. The dispersion analysis illustrates that the dispersion relation determined from the new optimized cubature points is comparable to that of the mass and stiffness matrices obtained by exact integration. Simultaneously, the Lebesgue constant for the new optimized cubature points indicates its surprisingly good interpolation properties. As a result, such points provide both good interpolation properties and integration accuracy. The Courant–Friedrichs–Lewy (CFL) numbers are tabulated for the conventional Fekete-based triangular spectral element (TSEM), the TSEM with exact integration, and the optimized cubature-based TSEM (OTSEM). A complementary study demonstrates the spectral convergence of the OTSEM. A numerical example conducted on a half-space model demonstrates that the OTSEM improves the accuracy by approximately one order of magnitude compared to the conventional Fekete-based TSEM. In particular, the accuracy of the 7th-order OTSEM is even higher than that of the 14th-order Fekete-based TSEM. Furthermore, the OTSEM produces a result that can compete in accuracy with the quadrilateral SEM (QSEM). The high accuracy of the OTSEM is also tested with a non-flat topography model. In terms of computational

  14. Higher-order triangular spectral element method with optimized cubature points for seismic wavefield modeling

    International Nuclear Information System (INIS)

    Liu, Youshan; Teng, Jiwen; Xu, Tao; Badal, José

    2017-01-01

    The mass-lumped method avoids the cost of inverting the mass matrix and simultaneously maintains spatial accuracy by adopting additional interior integration points, known as cubature points. To date, such points are only known analytically in tensor domains, such as quadrilateral or hexahedral elements. Thus, the diagonal-mass-matrix spectral element method (SEM) in non-tensor domains always relies on numerically computed interpolation points or quadrature points. However, only the cubature points for degrees 1 to 6 are known, which is the reason that we have developed a p-norm-based optimization algorithm to obtain higher-order cubature points. In this way, we obtain and tabulate new cubature points with all positive integration weights for degrees 7 to 9. The dispersion analysis illustrates that the dispersion relation determined from the new optimized cubature points is comparable to that of the mass and stiffness matrices obtained by exact integration. Simultaneously, the Lebesgue constant for the new optimized cubature points indicates its surprisingly good interpolation properties. As a result, such points provide both good interpolation properties and integration accuracy. The Courant–Friedrichs–Lewy (CFL) numbers are tabulated for the conventional Fekete-based triangular spectral element (TSEM), the TSEM with exact integration, and the optimized cubature-based TSEM (OTSEM). A complementary study demonstrates the spectral convergence of the OTSEM. A numerical example conducted on a half-space model demonstrates that the OTSEM improves the accuracy by approximately one order of magnitude compared to the conventional Fekete-based TSEM. In particular, the accuracy of the 7th-order OTSEM is even higher than that of the 14th-order Fekete-based TSEM. Furthermore, the OTSEM produces a result that can compete in accuracy with the quadrilateral SEM (QSEM). The high accuracy of the OTSEM is also tested with a non-flat topography model. In terms of computational

  15. Geothermal reservoir monitoring based upon spectral-element and adjoint methods

    Science.gov (United States)

    Morency, C.; Templeton, D. C.; Harris, D.; Mellors, R. J.

    2011-12-01

    Induced seismicity associated with CO2 sequestration, enhanced oil recovery, and enhanced geothermal systems is triggered by fracturing during fluid injection. These events range from magnitude -1 (microseismicity) up to 3.5, for induced seismicity on pre-existing faults. In our approach, we are using seismic data collected at the Salton Sea geothermal field, to improve the current structural model (SCEC CVM4.0 including a 10m resolution topography) and to invert for the moment tensor and source location of the microseismic events. The key here is to refine the velocity model to then precisely invert for the location and mechanism (tensile or shear) of fracture openings. This information is crucial for geothermal reservoir assessment, especially in an unconventional setting where hydrofracturing is used to enhance productivity. The location of pre-existing and formed fractures as well as their type of openings are important elements for strategic decisions. Numerical simulations are performed using a spectral-element method, which contrary to finite-element methods (FEM), uses high degree Lagrange polynomials, allowing the technique to not only handle complex geometries, like the FEM, but also to retain the strength of exponential convergence and accuracy due to the use of high degree polynomials. Finite-frequency sensitivity kernels, used in the non-linear iterative inversions, are calculated based on an adjoint method.

  16. Towards an Entropy Stable Spectral Element Framework for Computational Fluid Dynamics

    Science.gov (United States)

    Carpenter, Mark H.; Parsani, Matteo; Fisher, Travis C.; Nielsen, Eric J.

    2016-01-01

    Entropy stable (SS) discontinuous spectral collocation formulations of any order are developed for the compressible Navier-Stokes equations on hexahedral elements. Recent progress on two complementary efforts is presented. The first effort is a generalization of previous SS spectral collocation work to extend the applicable set of points from tensor product, Legendre-Gauss-Lobatto (LGL) to tensor product Legendre-Gauss (LG) points. The LG and LGL point formulations are compared on a series of test problems. Although being more costly to implement, it is shown that the LG operators are significantly more accurate on comparable grids. Both the LGL and LG operators are of comparable efficiency and robustness, as is demonstrated using test problems for which conventional FEM techniques suffer instability. The second effort generalizes previous SS work to include the possibility of p-refinement at non-conforming interfaces. A generalization of existing entropy stability machinery is developed to accommodate the nuances of fully multi-dimensional summation-by-parts (SBP) operators. The entropy stability of the compressible Euler equations on non-conforming interfaces is demonstrated using the newly developed LG operators and multi-dimensional interface interpolation operators.

  17. Direct numerical simulation of the Rayleigh-Taylor instability with the spectral element method

    International Nuclear Information System (INIS)

    Zhang Xu; Tan Duowang

    2009-01-01

    A novel method is proposed to simulate Rayleigh-Taylor instabilities using a specially-developed unsteady three-dimensional high-order spectral element method code. The numerical model used consists of Navier-Stokes equations and a transport-diffusive equation. The code is first validated with the results of linear stability perturbation theory. Then several characteristics of the Rayleigh-Taylor instabilities are studied using this three-dimensional unsteady code, including instantaneous turbulent structures and statistical turbulent mixing heights under different initial wave numbers. These results indicate that turbulent structures of Rayleigh-Taylor instabilities are strongly dependent on the initial conditions. The results also suggest that a high-order numerical method should provide the capability of simulating small scale fluctuations of Rayleigh-Taylor instabilities of turbulent flows. (authors)

  18. Direct Numerical Simulation of the Rayleigh−Taylor Instability with the Spectral Element Method

    International Nuclear Information System (INIS)

    Xu, Zhang; Duo-Wang, Tan

    2009-01-01

    A novel method is proposed to simulate Rayleigh−Taylor instabilities using a specially-developed unsteady three-dimensional high-order spectral element method code. The numerical model used consists of Navier–Stokes equations and a transport-diffusive equation. The code is first validated with the results of linear stability perturbation theory. Then several characteristics of the Rayleigh−Taylor instabilities are studied using this three-dimensional unsteady code, including instantaneous turbulent structures and statistical turbulent mixing heights under different initial wave numbers. These results indicate that turbulent structures of Rayleigh–Taylor instabilities are strongly dependent on the initial conditions. The results also suggest that a high-order numerical method should provide the capability of simulating small scale fluctuations of Rayleigh−Taylor instabilities of turbulent flows. (fundamental areas of phenomenology (including applications))

  19. Dynamic Analysis of a Timoshenko Beam Subjected to an Accelerating Mass Using Spectral Element Method

    Directory of Open Access Journals (Sweden)

    Guangsong Chen

    2014-01-01

    Full Text Available This paper presents formulations for a Timoshenko beam subjected to an accelerating mass using spectral element method in time domain (TSEM. Vertical displacement and bending rotation of the beam were interpolated by Lagrange polynomials supported on the Gauss-Lobatto-Legendre (GLL points. By using GLL integration rule, the mass matrix was diagonal and the dynamic responses can be obtained efficiently and accurately. The results were compared with those obtained in the literature to verify the correctness. The variation of the vibration frequencies of the Timoshenko and moving mass system was researched. The effects of inertial force, centrifugal force, Coriolis force, and tangential force on a Timoshenko beam subjected to an accelerating mass were investigated.

  20. Ultrasonic wave propagation in viscoelastic cortical bone plate coupled with fluids: a spectral finite element study.

    Science.gov (United States)

    Nguyen, Vu-Hieu; Naili, Salah

    2013-01-01

    This work deals with the ultrasonic wave propagation in the cortical layer of long bones which is known as being a functionally graded anisotropic material coupled with fluids. The viscous effects are taken into account. The geometrical configuration mimics the one of axial transmission technique used for evaluating the bone quality. We present a numerical procedure adapted for this purpose which is based on the spectral finite element method (FEM). By using a combined Laplace-Fourier transform, the vibroacoustic problem may be transformed into the frequency-wavenumber domain in which, as radiation conditions may be exactly introduced in the infinite fluid halfspaces, only the heterogeneous solid layer needs to be analysed using FEM. Several numerical tests are presented showing very good performance of the proposed approach. We present some results to study the influence of the frequency on the first arriving signal velocity in (visco)elastic bone plate.

  1. Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution

    Science.gov (United States)

    Zuehlsdorff, T. J.; Isborn, C. M.

    2018-01-01

    The correct treatment of vibronic effects is vital for the modeling of absorption spectra of many solvated dyes. Vibronic spectra for small dyes in solution can be easily computed within the Franck-Condon approximation using an implicit solvent model. However, implicit solvent models neglect specific solute-solvent interactions on the electronic excited state. On the other hand, a straightforward way to account for solute-solvent interactions and temperature-dependent broadening is by computing vertical excitation energies obtained from an ensemble of solute-solvent conformations. Ensemble approaches usually do not account for vibronic transitions and thus often produce spectral shapes in poor agreement with experiment. We address these shortcomings by combining zero-temperature vibronic fine structure with vertical excitations computed for a room-temperature ensemble of solute-solvent configurations. In this combined approach, all temperature-dependent broadening is treated classically through the sampling of configurations and quantum mechanical vibronic contributions are included as a zero-temperature correction to each vertical transition. In our calculation of the vertical excitations, significant regions of the solvent environment are treated fully quantum mechanically to account for solute-solvent polarization and charge-transfer. For the Franck-Condon calculations, a small amount of frozen explicit solvent is considered in order to capture solvent effects on the vibronic shape function. We test the proposed method by comparing calculated and experimental absorption spectra of Nile red and the green fluorescent protein chromophore in polar and non-polar solvents. For systems with strong solute-solvent interactions, the combined approach yields significant improvements over the ensemble approach. For systems with weak to moderate solute-solvent interactions, both the high-energy vibronic tail and the width of the spectra are in excellent agreement with

  2. Validation of a Spectral Method for Quantitative Measurement of Color in Protein Drug Solutions.

    Science.gov (United States)

    Yin, Jian; Swartz, Trevor E; Zhang, Jian; Patapoff, Thomas W; Chen, Bartolo; Marhoul, Joseph; Shih, Norman; Kabakoff, Bruce; Rahimi, Kimia

    2016-01-01

    A quantitative spectral method has been developed to precisely measure the color of protein solutions. In this method, a spectrophotometer is utilized for capturing the visible absorption spectrum of a protein solution, which can then be converted to color values (L*a*b*) that represent human perception of color in a quantitative three-dimensional space. These quantitative values (L*a*b*) allow for calculating the best match of a sample's color to a European Pharmacopoeia reference color solution. In order to qualify this instrument and assay for use in clinical quality control, a technical assessment was conducted to evaluate the assay suitability and precision. Setting acceptance criteria for this study required development and implementation of a unique statistical method for assessing precision in 3-dimensional space. Different instruments, cuvettes, protein solutions, and analysts were compared in this study. The instrument accuracy, repeatability, and assay precision were determined. The instrument and assay are found suitable for use in assessing color of drug substances and drug products and is comparable to the current European Pharmacopoeia visual assessment method. In the biotechnology industry, a visual assessment is the most commonly used method for color characterization, batch release, and stability testing of liquid protein drug solutions. Using this method, an analyst visually determines the color of the sample by choosing the closest match to a standard color series. This visual method can be subjective because it requires an analyst to make a judgment of the best match of color of the sample to the standard color series, and it does not capture data on hue and chroma that would allow for improved product characterization and the ability to detect subtle differences between samples. To overcome these challenges, we developed a quantitative spectral method for color determination that greatly reduces the variability in measuring color and allows

  3. Space applications: monolithic diffraction grating elements from EUV to NIR spectral range

    Science.gov (United States)

    Gatto, Alexandre; Pesch, Alexander; Erdmann, Lars H.; Burkhardt, Matthias; Kalies, Alexander; Diehl, Torsten; Triebel, Peter; Moeller, Tobias

    2017-11-01

    Monolithic diffraction gratings are one of the key components of high sensitive spectral imaging systems including spectrometer used in space instruments. These gratings are optimized for high efficiency, lowest line spacing errors and low scattering values to improve the performance of a spectral imaging system. Spectral imaging systems lead to enhanced remote sensing properties when the sensing system provides sufficient spectral resolution to identify materials from its spectral reflectance signature comprising low signal-to-noise ratios.

  4. The Conservation/Solution Element (STE) Method for Linear Potential Flow Problems

    Science.gov (United States)

    Adeyeye, John O.; Attia, Naguib F.; Jackson, Joy; Hunter, Timothy

    1996-01-01

    The potential equation is discretized on rectangular domains using the Conservation/Solution Element Method (STE) approach. Computational examples with a discussion of numerical experience gained are given.

  5. Spectral finite element methods for solving fractional differential equations with applications in anomalous transport

    Energy Technology Data Exchange (ETDEWEB)

    Carella, Alfredo Raul

    2012-09-15

    Quantifying species transport rates is a main concern in chemical and petrochemical industries. In particular, the design and operation of many large-scale industrial chemical processes is as much dependent on diffusion as it is on reaction rates. However, the existing diffusion models sometimes fail to predict experimentally observed behaviors and their accuracy is usually insufficient for process optimization purposes. Fractional diffusion models offer multiple possibilities for generalizing Flick's law in a consistent manner in order to account for history dependence and nonlocal effects. These models have not been extensively applied to the study of real systems, mainly due to their computational cost and mathematical complexity. A least squares spectral formulation was developed for solving fractional differential equations. The proposed method was proven particularly well-suited for dealing with the numerical difficulties inherent to fractional differential operators. The practical implementation was explained in detail in order to enhance reproducibility, and directions were specified for extending it to multiple dimensions and arbitrarily shaped domains. A numerical framework based on the least-squares spectral element method was developed for studying and comparing anomalous diffusion models in pellets. This simulation tool is capable of solving arbitrary integro-differential equations and can be effortlessly adapted to various problems in any number of dimensions. Simulations of the flow around a cylindrical particle were achieved by extending the functionality of the developed framework. A test case was analyzed by coupling the boundary condition yielded by the fluid model with two families of anomalous diffusion models: hyperbolic diffusion and fractional diffusion. Qualitative guidelines for determining the suitability of diffusion models can be formulated by complementing experimental data with the results obtained from this approach.(Author)

  6. Evaluation of the Utility of Static and Adaptive Mesh Refinement for Idealized Tropical Cyclone Problems in a Spectral Element Shallow Water Model

    Science.gov (United States)

    2015-04-09

    Refinement for Idealized Tropical Cyclone Problems in a Spectral Element Shallow Water Model 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM...amined for idealized tropical cyclone (TC) simulations in a spectral element f-plane shallow water model. The SMR simulations have varying sizes of...adaptive mesh refinement1 for idealized tropical cyclone problems in a spectral element2 shallow water model3 Eric A. Hendricks ∗ Marine Meteorology Division

  7. A brief description of a new numerical framework for solving conservation laws: The method of space-time conservation element and solution element

    Science.gov (United States)

    Chang, Sin-Chung; To, Wai-Ming

    1992-01-01

    A new numerical method for solving conservation laws is being developed. It differs substantially from the well established methods, i.e., finite difference, finite volume, finite element, and spectral methods, in both concept and methodology. It is much simpler than a typical high resolution method. No flux limiter or any technique related to characteristics is involved. No artificial viscosity or smoothing is introduced, and no moving mesh is used. Yet this method is capable of generating highly accurate shock tube solutions. The slight numerical overshoot and/or oscillations generated can be removed if a simple averaging formula initially used is replaced by a weighted formula. This modification has little effect on other parts of the solution. Because of its simplicity, generalization of this new method for multi-dimensional problems is straightforward.

  8. Space-Time Conservation Element and Solution Element Method Being Developed

    Science.gov (United States)

    Chang, Sin-Chung; Himansu, Ananda; Jorgenson, Philip C. E.; Loh, Ching-Yuen; Wang, Xiao-Yen; Yu, Sheng-Tao

    1999-01-01

    The engineering research and design requirements of today pose great computer-simulation challenges to engineers and scientists who are called on to analyze phenomena in continuum mechanics. The future will bring even more daunting challenges, when increasingly complex phenomena must be analyzed with increased accuracy. Traditionally used numerical simulation methods have evolved to their present state by repeated incremental extensions to broaden their scope. They are reaching the limits of their applicability and will need to be radically revised, at the very least, to meet future simulation challenges. At the NASA Lewis Research Center, researchers have been developing a new numerical framework for solving conservation laws in continuum mechanics, namely, the Space-Time Conservation Element and Solution Element Method, or the CE/SE method. This method has been built from fundamentals and is not a modification of any previously existing method. It has been designed with generality, simplicity, robustness, and accuracy as cornerstones. The CE/SE method has thus far been applied in the fields of computational fluid dynamics, computational aeroacoustics, and computational electromagnetics. Computer programs based on the CE/SE method have been developed for calculating flows in one, two, and three spatial dimensions. Results have been obtained for numerous problems and phenomena, including various shock-tube problems, ZND detonation waves, an implosion and explosion problem, shocks over a forward-facing step, a blast wave discharging from a nozzle, various acoustic waves, and shock/acoustic-wave interactions. The method can clearly resolve shock/acoustic-wave interactions, wherein the difference of the magnitude between the acoustic wave and shock could be up to six orders. In two-dimensional flows, the reflected shock is as crisp as the leading shock. CE/SE schemes are currently being used for advanced applications to jet and fan noise prediction and to chemically

  9. Finite element solution of the Boussinesq wave equation | Akpobi ...

    African Journals Online (AJOL)

    In this work, we investigate a Boussinesq-type flow model for nonlinear dispersive waves by developing a computational model based on the finite element discretisation technique. Hermite interpolation functions were used to interpolate approximation elements. The system is modeled using a time dependent equation.

  10. Spectrally formulated user-defined element in Abaqus for wave motion analysis and health monitoring of composite structures

    Science.gov (United States)

    Khalili, Ashkan

    Wave propagation analysis in 1-D and 2-D composite structures is performed efficiently and accurately through the formulation of a User-Defined Element (UEL) based on the wavelet spectral finite element (WSFE) method. The WSFE method is based on the first order shear deformation theory which yields accurate results for wave motion at high frequencies. The wave equations are reduced to ordinary differential equations using Daubechies compactly supported, orthonormal, wavelet scaling functions for approximations in time and one spatial dimension. The 1-D and 2-D WSFE models are highly efficient computationally and provide a direct relationship between system input and output in the frequency domain. The UEL is formulated and implemented in Abaqus for wave propagation analysis in composite structures with complexities. Frequency domain formulation of WSFE leads to complex valued parameters, which are decoupled into real and imaginary parts and presented to Abaqus as real values. The final solution is obtained by forming a complex value using the real number solutions given by Abaqus. Several numerical examples are presented here for 1-D and 2-D composite waveguides. Wave motions predicted by the developed UEL correlate very well with Abaqus simulations using shear flexible elements. The results also show that the UEL largely retains computational efficiency of the WSFE method and extends its ability to model complex features. An enhanced cross-correlation method (ECCM) is developed in order to accurately predict damage location in plates. Three major modifications are proposed to the widely used cross-correlation method (CCM) to improve damage localization capabilities, namely actuator-sensor configuration, signal pre-processing method, and signal post-processing method. The ECCM is investigated numerically (FEM simulation) and experimentally. Experimental investigations for damage detection employ a PZT transducer as actuator and laser Doppler vibrometer as sensor

  11. Sparse grid spectral methods for the numerical solution of partial differential equations with periodic boundary conditions

    International Nuclear Information System (INIS)

    Kupka, F.

    1997-11-01

    This thesis deals with the extension of sparse grid techniques to spectral methods for the solution of partial differential equations with periodic boundary conditions. A review on boundary and initial-boundary value problems and a discussion on numerical resolution is used to motivate this research. Spectral methods are introduced by projection techniques, and by three model problems: the stationary and the transient Helmholtz equations, and the linear advection equation. The approximation theory on the hyperbolic cross is reviewed and its close relation to sparse grids is demonstrated. This approach extends to non-periodic problems. Various Sobolev spaces with dominant mixed derivative are introduced to provide error estimates for Fourier approximation and interpolation on the hyperbolic cross and on sparse grids by means of Sobolev norms. The theorems are immediately applicable to the stability and convergence analysis of sparse grid spectral methods. This is explicitly demonstrated for the three model problems. A variant of the von Neumann condition is introduced to simplify the stability analysis of the time-dependent model problems. The discrete Fourier transformation on sparse grids is discussed together with its software implementation. Results on numerical experiments are used to illustrate the performance of the new method with respect to the smoothness properties of each example. The potential of the method in mathematical modelling is estimated and generalizations to other sparse grid methods are suggested. The appendix includes a complete Fortran90 program to solve the linear advection equation by the sparse grid Fourier collocation method and a third-order Runge-Kutta routine for integration in time. (author)

  12. Spectral bisection algorithm for solving Schrodinger equation using upper and lower solutions

    Directory of Open Access Journals (Sweden)

    Qutaibeh Deeb Katatbeh

    2007-10-01

    Full Text Available This paper establishes a new criteria for obtaining a sequence of upper and lower bounds for the ground state eigenvalue of Schr"odinger equation $ -Deltapsi(r+V(rpsi(r=Epsi(r$ in $N$ spatial dimensions. Based on this proposed criteria, we prove a new comparison theorem in quantum mechanics for the ground state eigenfunctions of Schrodinger equation. We determine also lower and upper solutions for the exact wave function of the ground state eigenfunctions using the computed upper and lower bounds for the eigenvalues obtained by variational methods. In other words, by using this criteria, we prove that the substitution of the lower(upper bound of the eigenvalue in Schrodinger equation leads to an upper(lower solution. Finally, two proposed iteration approaches lead to an exact convergent sequence of solutions. The first one uses Raielgh-Ritz theorem. Meanwhile, the second approach uses a new numerical spectral bisection technique. We apply our results for a wide class of potentials in quantum mechanics such as sum of power-law potentials in quantum mechanics.

  13. Application of the space-time conservation element and solution element method to shock-tube problem

    Science.gov (United States)

    Wang, Xiao-Yen; Chow, Chuen-Yen; Chang, Sin-Chung

    1994-01-01

    An Euler solver based on the method of space-time conservation element and solution element is in this paper to simulate shock-tube flows involving shock waves, contact discontinuities, expansion waves and their intersections. Seven test problems are considered to examine the capability of this method. The numerical results, when compared with exact solutions and/or numerical solutions by other methods, indicate that the present method can accurately resolve strong shock and contact discontinuities without using any ad hoc techniques which are used only at the neighborhood of a discontinuity.

  14. Seismoelectric Effects based on Spectral-Element Method for Subsurface Fluid Characterization

    Science.gov (United States)

    Morency, C.

    2017-12-01

    Present approaches for subsurface imaging rely predominantly on seismic techniques, which alone do not capture fluid properties and related mechanisms. On the other hand, electromagnetic (EM) measurements add constraints on the fluid phase through electrical conductivity and permeability, but EM signals alone do not offer information of the solid structural properties. In the recent years, there have been many efforts to combine both seismic and EM data for exploration geophysics. The most popular approach is based on joint inversion of seismic and EM data, as decoupled phenomena, missing out the coupled nature of seismic and EM phenomena such as seismoeletric effects. Seismoelectric effects are related to pore fluid movements with respect to the solid grains. By analyzing coupled poroelastic seismic and EM signals, one can capture a pore scale behavior and access both structural and fluid properties.Here, we model the seismoelectric response by solving the governing equations derived by Pride and Garambois (1994), which correspond to Biot's poroelastic wave equations and Maxwell's electromagnetic wave equations coupled electrokinetically. We will show that these coupled wave equations can be numerically implemented by taking advantage of viscoelastic-electromagnetic mathematical equivalences. These equations will be solved using a spectral-element method (SEM). The SEM, in contrast to finite-element methods (FEM) uses high degree Lagrange polynomials. Not only does this allow the technique to handle complex geometries similarly to FEM, but it also retains exponential convergence and accuracy due to the use of high degree polynomials. Finally, we will discuss how this is a first step toward full coupled seismic-EM inversion to improve subsurface fluid characterization. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  15. Solution of Differential Equation by Means of Finite Element Method

    OpenAIRE

    Hayashi, Daigoro; 林, 大五郎

    1989-01-01

    The finite element method may be defined as the modern "Method of Weighted Residuals" (MWR). This paper describes how to solve the differential equations which are essential in order to explain quantiatively a number of valuable geological and geodynamic problems.The methods to solve linear differential equation, non-linear equation, non-linear non-steady equation, Laplace equation and incompreeible New tonian flow problem are explained by means of the Galerkin finite element method.

  16. A hybrid spectral and finite element method for coseismic and postseismic deformation

    Science.gov (United States)

    Pergler, Tomáš; Matyska, Ctirad

    2007-08-01

    We investigate the elastic and viscoelastic responses of the Earth to a sudden slip along a fault. Firstly, equations describing the Earth's infinitesimal deformations for elastic and viscoelastic rheological models are introduced within the weak formulation and the theorems of existence and uniqueness of solutions are demonstrated. Three-dimensional numerical method, which combines the 2D finite element method in a plane perpendicular to the fault with application of the Fourier transform in the direction along the fault, is described. We then discuss several numerical benchmarks. At the end, the coseismic deformation and the Coulomb stress for the August 14, 2003 earthquake on the Lefkada island in Greece are computed incorporating also the influence of topography. We demonstrate that the results are sensitive to both source interpretations and the epicenter area topography.

  17. Application of the space-time conservation element and solution element method to two-dimensional advection-diffusion problems

    Science.gov (United States)

    Wang, Xiao-Yen; Chow, Chuen-Yen; Chang, Sin-Chung

    1995-01-01

    The existing 2-D alpha-mu scheme and alpha-epsilon scheme based on the method of space-time conservation element and solution element, which were constructed for solving the linear 2-D unsteady advection-diffusion equation and unsteady advection equation, respectively, are tested. Also, the alpha-epsilon scheme is modified to become the V-E scheme for solving the nonlinear 2-D inviscid Burgers equation. Numerical solutions of six test problems are presented in comparison with their exact solutions or numerical solutions obtained by traditional finite-difference or finite-element methods. It is demonstrated that the 2-D alpha-mu, alpha-epsilon, and nu-epsilon schemes can be used to obtain numerical results which are more accurate than those based on some of the traditional methods but without using any artificial tuning in the computation. Similar to the previous 1-D test problems, the high accuracy and simplicity features of the space-time conservation element and solution element method have been revealed again in the present 2-D test results.

  18. Spectral analysis of rare earth elements using laser-induced breakdown spectroscopy

    Science.gov (United States)

    Martin, Madhavi Z.; Fox, Robert V.; Miziolek, Andrzej W.; DeLucia, Frank C.; André, Nicolas

    2015-06-01

    There is growing interest in rapid analysis of rare earth elements (REEs) both due to the need to find new natural sources to satisfy increased demand in their use in various electronic devices, as well as the fact that they are used to estimate actinide masses for nuclear safeguards and nonproliferation. Laser-Induced Breakdown Spectroscopy (LIBS) appears to be a particularly well-suited spectroscopy-based technology to rapidly and accurately analyze the REEs in various matrices at low concentration levels (parts-per-million). Although LIBS spectra of REEs have been reported for a number of years, further work is still necessary in order to be able to quantify the concentrations of various REEs in realworld complex samples. LIBS offers advantages over conventional solution-based radiochemistry in terms of cost, analytical turnaround, waste generation, personnel dose, and contamination risk. Rare earth elements of commercial interest are found in the following three matrix groups: 1) raw ores and unrefined materials, 2) as components in refined products such as magnets, lighting phosphors, consumer electronics (which are mostly magnets and phosphors), catalysts, batteries, etc., and 3) waste/recyclable materials (aka e-waste). LIBS spectra for REEs such as Gd, Nd, and Sm found in rare earth magnets are presented.

  19. Spectral Analysis of Rare Earth Elements using Laser-Induced Breakdown Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Madhavi Z [ORNL; Fox, Dr. Richard V [Idaho National Laboratory (INL); Miziolek, Andrzej W [United States Army Research Laboratory; DeLucia, Frank C [United States Army Research Laboratory; Andre, Nicolas O [ORNL

    2015-01-01

    There is growing interest in rapid analysis of rare earth elements (REEs) both due to the need to find new natural sources to satisfy increased demand in their use in various electronic devices, as well as the fact that they are used to estimate actinide masses for nuclear safeguards and nonproliferation. Laser-Induced Breakdown Spectroscopy (LIBS) appears to be a particularly well-suited spectroscopy-based technology to rapidly and accurately analyze the REEs in various matrices at low concentration levels (parts-per-million). Although LIBS spectra of REEs have been reported for a number of years, further work is still necessary in order to be able to quantify the concentrations of various REEs in real-world complex samples. LIBS offers advantages over conventional solution-based radiochemistry in terms of cost, analytical turnaround, waste generation, personnel dose, and contamination risk. Rare earth elements of commercial interest are found in the following three matrix groups: 1) raw ores and unrefined materials, 2) as components in refined products such as magnets, lighting phosphors, consumer electronics (which are mostly magnets and phosphors), catalysts, batteries, etc., and 3) waste/recyclable materials (aka e-waste). LIBS spectra for REEs such as Gd, Nd, and Sm found in rare earth magnets are presented.

  20. Spectral Analysis of Rare Earth Elements using Laser-Induced Breakdown Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Madhavi Z [ORNL; Fox, Dr. Richard V [Idaho National Laboratory (INL); Miziolek, Andrzej W [United States Army Research Laboratory; DeLucia, Frank C [United States Army Research Laboratory; Andre, Nicolas O [ORNL

    2015-01-01

    There is growing interest in rapid analysis of rare earth elements (REEs) both due to the need to find new natural sources to satisfy increased demand in their use in various electronic devices, as well as the fact that they are used to estimate actinide masses for nuclear safeguards and nonproliferation. Laser-Induced Breakdown Spectroscopy (LIBS) appears to be a particularly well-suited spectroscopy-based technology to rapidly and accurately analyze the REEs in various matrices at low concentration levels (parts-per-million). Although LIBS spectra of REEs have been reported for a number of years, further work is still necessary in order to be able to quantify the concentrations of various REEs in realworld complex samples. LIBS offers advantages over conventional solution-based radiochemistry in terms of cost, analytical turnaround, waste generation, personnel dose, and contamination risk. Rare earth elements of commercial interest are found in the following three matrix groups: 1) raw ores and unrefined materials, 2) as components in refined products such as magnets, lighting phosphors, consumer electronics (which are mostly magnets and phosphors), catalysts, batteries, etc., and 3) waste/recyclable materials (aka e-waste). LIBS spectra for REEs such as Gd, Nd, and Sm found in rare earth magnets are presented.

  1. Spectral Analysis of Rare Earth Elements using Laser-Induced Breakdown Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Madhavi Z. Martin; Robert V. Fox; Andrzej W. Miziolek; Frank C. DeLucia, Jr.; Nicolas Andre

    2001-05-01

    There is growing interest in rapid analysis of rare earth elements (REEs) both due to the need to find new natural sources to satisfy increased demand in their use in various electronic devices, as well as the fact that they are used to estimate actinide masses for nuclear safeguards and nonproliferation. Laser-Induced Breakdown Spectroscopy (LIBS) appears to be a particularly well-suited spectroscopy-based technology to rapidly and accurately analyze the REEs in various matrices at low concentration levels (parts-per-million). Although LIBS spectra of REEs have been reported for a number of years, further work is still necessary in order to be able to quantify the concentrations of various REEs in realworld complex samples. LIBS offers advantages over conventional solution-based radiochemistry in terms of cost, analytical turnaround, waste generation, personnel dose, and contamination risk. Rare earth elements of commercial interest are found in the following three matrix groups: 1) raw ores and unrefined materials, 2) as components in refined products such as magnets, lighting phosphors, consumer electronics (which are mostly magnets and phosphors), catalysts, batteries, etc., and 3) waste/recyclable materials (aka e-waste). LIBS spectra for REEs such as Gd, Nd, and Sm found in rare earth magnets are presented.

  2. T-system on T-hook: Grassmannian solution and twisted Quantum Spectral Curve

    Energy Technology Data Exchange (ETDEWEB)

    Kazakov, Vladimir [LPT, École Normale Superieure,24, rue Lhomond 75005 Paris (France); Université Paris-VI,Place Jussieu, 75005 Paris (France); Leurent, Sébastien [Institut de Mathématiques de Bourgogne, UMR 5584 du CNRS, University Bourgogne Franche-Comté,9 avenue Alain Savary, 21000 Dijon (France); Volin, Dmytro [School of Mathematics, Trinity College Dublin,College Green, Dublin 2 (Ireland); Nordita, KTH Royal Institute of Technology and Stockholm University,Roslagstullsbacken 23, SE-106 91 Stockholm (Sweden)

    2016-12-13

    We propose an efficient grassmannian formalism for solution of bi-linear finite-difference Hirota equation (T-system) on T-shaped lattices related to the space of highest weight representations of superalgebra. The formalism is inspired by the quantum fusion procedure known from the integrable spin chains and is based on exterior forms of Baxter-like Q-functions. We find a few new interesting relations among the exterior forms of Q-functions and reproduce, using our new formalism, the Wronskian determinant solutions of Hirota equations known in the literature. Then we generalize this construction to the twisted Q-functions and demonstrate the subtleties of untwisting procedure on the examples of rational quantum spin chains with twisted boundary conditions. Using these observations, we generalize the recently discovered, in our paper with N. Gromov, AdS/CFT Quantum Spectral Curve for exact planar spectrum of AdS/CFT duality to the case of arbitrary Cartan twisting of AdS S string sigma model. Finally, we successfully probe this formalism by reproducing the energy of gamma-twisted BMN vacuum at single-wrapping orders of weak coupling expansion.

  3. A high-order 3-D spectral-element method for the forward modelling and inversion of gravimetric data—Application to the western Pyrenees

    Science.gov (United States)

    Martin, Roland; Chevrot, Sébastien; Komatitsch, Dimitri; Seoane, Lucia; Spangenberg, Hannah; Wang, Yi; Dufréchou, Grégory; Bonvalot, Sylvain; Bruinsma, Sean

    2017-04-01

    We image the internal density structure of the Pyrenees by inverting gravity data using an a priori density model derived by scaling a Vp model obtained by full waveform inversion of teleseismic P-waves. Gravity anomalies are computed via a 3-D high-order finite-element integration in the same high-order spectral-element grid as the one used to solve the wave equation and thus to obtain the velocity model. The curvature of the Earth and surface topography are taken into account in order to obtain a density model as accurate as possible. The method is validated through comparisons with exact semi-analytical solutions. We show that the spectral-element method drastically accelerates the computations when compared to other more classical methods. Different scaling relations between compressional velocity and density are tested, and the Nafe-Drake relation is the one that leads to the best agreement between computed and observed gravity anomalies. Gravity data inversion is then performed and the results allow us to put more constraints on the density structure of the shallow crust and on the deep architecture of the mountain range.

  4. Dissolution of Ce from Cd Solution Containing U/Ce Elements by Electrolysis

    International Nuclear Information System (INIS)

    Kim, Si Hyung; Kim, Gha-Young; Lee, Seung-jai; Kim, Taek-Jin; Paek, Seungwoo; Ahn, Do-Hee

    2015-01-01

    The U-TRU metal alloy can be supplied by the Pyroprocessing, specifically UTRU recovery process using liquid cadmium cathode (LCC). In a certain case, a lot of rare earth (RE) element could be recovered on the LCC with the TRU element during the Pyroprocessing when the concentration of RE ions is higher than that of the TRU ions in the salt. In this case, most of the RE element needs to be removed from the Cd solution containing U/TRU/RE elements. RAR(Residual Actinides Recovery) technique used the mixed electrolytic-chemical process. In this study, only electrolysis technique was utilized to remove Ce element from Cd solution containing U/Ce elements. U-TRU alloy having less impurity is necessary for the fabrication of SFR fuel and these U-TRU elements can be prepared by Pyroprocessing. Electrolytic method was used to reduce the amount of Ce elements from the Cd solution containing U/Ce elements. It is judged from this study that electrolytic dissolution can be one of the methods to reduce RE elements from the Cd solution containing U-TRU-RE elements

  5. Solution-processed, nanostructured hybrid solar cells with broad spectral sensitivity and stability.

    Science.gov (United States)

    Zhou, Renjia; Zheng, Ying; Qian, Lei; Yang, Yixing; Holloway, Paul H; Xue, Jiangeng

    2012-06-07

    Hybrid organic-inorganic solar cells, as an alternative to all-organic solar cells, have received significant attention for their potential advantages in combining the solution-processability and versatility of organic materials with high charge mobility and environmental stability of inorganic semiconductors. Here we report efficient and air-stable hybrid organic-inorganic solar cells with broad spectral sensitivity based on a low-gap polymer poly[2,6-(4,4-bis-(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDTBT) and spherical CdSe nanoparticles. The solvents used for depositing the hybrid PCPDTBT:CdSe active layer were shown to strongly influence the film morphology, and subsequently the photovoltaic performance of the resulted solar cells. Appropriate post-deposition annealing of the hybrid film was also shown to improve the solar cell efficiency. The inclusion of a thin ZnO nanoparticle layer between the active layer and the metal cathode leads to a significant increase in device efficiency especially at long wavelengths, due to a combination of optical and electronic effects including more optimal light absorption in the active layer and elimination of unwanted hole leakage into the cathode. Overall, maximum power conversion efficiencies up to 3.7 ± 0.2% and spectral sensitivity extending above 800 nm were achieved in such PCPDTBT:CdSe nanosphere hybrid solar cells. Furthermore, the devices with a ZnO nanoparticle layer retained ∼70% of the original efficiency after storage under ambient laboratory conditions for over 60 days without any encapsulation.

  6. Determination of trace elements in lithium niobate crystals by solid sampling and solution-based spectrometry methods

    Energy Technology Data Exchange (ETDEWEB)

    Bencs, Laszlo, E-mail: bencs.laszlo@wigner.mta.hu [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Gyoergy, Krisztina; Kardos, Marta [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Osan, Janos; Alfoeldy, Balint [Institute for Atomic Energy Research, Centre for Energy Research, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Varga, Imre [Department of Analytical Chemistry, Institute of Chemistry, Lorand Eoetvoes University, P.O. Box 32, H-1518 Budapest (Hungary); Ajtony, Zsolt [Institute of Food Science, University of West Hungary, H-9200 Mosonmagyarovar, Lucsony u. 15-17 (Hungary); Szoboszlai, Norbert [Department of Analytical Chemistry, Institute of Chemistry, Lorand Eoetvoes University, P.O. Box 32, H-1518 Budapest (Hungary); Stefanka, Zsolt [Institute for Isotope Research, Centre for Energy Research, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Hungarian Atomic Energy Authority, H-1136 Budapest, Fenyes Adolf u. 4 (Hungary); Szeles, Eva [Institute for Isotope Research, Centre for Energy Research, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Kovacs, Laszlo [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary)

    2012-05-13

    Highlights: Black-Right-Pointing-Pointer Solid sampling GFAAS was studied for Cr, Fe and Mn determination in lithium niobate. Black-Right-Pointing-Pointer Solution based GFAAS, FAAS, ICP-OES and ICP-MS were elaborated for method validation. Black-Right-Pointing-Pointer The performances of the elaborated spectrochemical methods have been compared. Black-Right-Pointing-Pointer The chemical forms of the matrix produced in GFAAS cycles were studied by XANES. - Abstract: Solid sampling (SS) graphite furnace atomic absorption spectrometry (GFAAS) and solution-based (SB) methods of GFAAS, flame atomic absorption spectrometry (FAAS), inductively coupled plasma optical emission spectrometry (ICP-OES) and inductively coupled plasma mass spectrometry (ICP-MS) were elaborated and/or optimized for the determination of Cr, Fe and Mn trace elements used as dopants in lithium niobate optical crystals. The calibration of the SS-GFAAS analysis was possible with the application of the three-point-estimation standard addition method, while the SB methods were mostly calibrated against matrix-matched and/or acidic standards. Spectral and non-spectral interferences were studied in SB-GFAAS after digestion of the samples. The SS-GFAAS method required the use of less sensitive spectral lines of the analytes and a higher internal furnace gas (Ar) flow rate to decrease the sensitivity for crystal samples of higher (doped) analyte content. The chemical forms of the matrix produced at various stages of the graphite furnace heating cycle, dispensed either as a solid sample or a solution (after digestion), were studied by means of the X-ray near-edge absorption structure (XANES). These results revealed that the solid matrix vaporized/deposited in the graphite furnace is mostly present in the metallic form, while the dry residue from the solution form mostly vaporized/deposited as the oxide of niobium.

  7. Finite element approach to solution of multidimensional quasi ...

    African Journals Online (AJOL)

    problems whose function can be expressed as derivatives and integrated functional or on solution of quasi-harmonic functions whose physical behaviors are governed by a general quasi-harmonic differential equation that can be treated as a quadratic functional that can be minimized over a region. The functional of a ...

  8. Quantum Spectral Curve and the Numerical Solution of the Spectral Problem in AdS5/CFT4

    International Nuclear Information System (INIS)

    Gromov, Nikolay; Levkovich-Maslyuk, Fedor; Sizov, Grigory

    2016-01-01

    We developed an efficient numerical algorithm for computing the spectrum of anomalous dimensions of the planar N=4 Super-Yang-Mills at finite coupling. The method is based on the Quantum Spectral Curve formalism. In contrast to Thermodynamic Bethe Ansatz, worked out only for some very special operators, this method is applicable for generic states/operators and is much faster and more precise due to its Q-quadratic convergence rate. To demonstrate the method we evaluate the dimensions Δ of twist operators in sl(2) sector directly for any value of the spin S including non-integer values. In particular, we compute the BFKL pomeron intercept in a wide range of the ’t Hooft coupling constant with up to 20 significant figures precision, confirming two previously known from the perturbation theory orders and giving prediction for several new coefficients. Furthermore, we explore numerically a rich branch cut structure for complexified spin S.

  9. Effect of γ-irradiation on spectral characteristics of oxyhemoglobin solutions of mice in the presence of serotin

    International Nuclear Information System (INIS)

    Artyukhov, V.G.; Sviridova, Eh.V.

    1977-01-01

    Study of spectral characteristics of oxyhemoglobin solutions (0.5 x 10 -5 M) γ-irradiated in the presence of serotonin (5 x 10 -5 M) has demonstrated that serotonin has a protective action on oxyhemoglobin. The protective effect of serotonin was also observed in relation to irradiated oxyhemoglobin solutions incubated for 30 min at 45 deg C. It is suggested that the protective action of serotonin may be due to the formation of H 2 O 2 /serotonin complex

  10. Steady-state solution of the PTC thermistor problem using a quadratic spline finite element method

    Directory of Open Access Journals (Sweden)

    Bahadir A. R.

    2002-01-01

    Full Text Available The problem of heat transfer in a Positive Temperature Coefficient (PTC thermistor, which may form one element of an electric circuit, is solved numerically by a finite element method. The approach used is based on Galerkin finite element using quadratic splines as shape functions. The resulting system of ordinary differential equations is solved by the finite difference method. Comparison is made with numerical and analytical solutions and the accuracy of the computed solutions indicates that the method is well suited for the solution of the PTC thermistor problem.

  11. Application of the Space-Time Conservation Element and Solution Element Method to One-Dimensional Advection-Diffusion Problems

    Science.gov (United States)

    Wang, Xiao-Yen; Chow, Chuen-Yen; Chang, Sin-Chung

    1999-01-01

    Test problems are used to examine the performance of several one-dimensional numerical schemes based on the space-time conservation and solution element (CE/SE) method. Investigated in this paper are the CE/SE schemes constructed previously for solving the linear unsteady advection-diffusion equation and the schemes derived here for solving the nonlinear viscous and inviscid Burgers equations. In comparison with the numerical solutions obtained using several traditional finite-difference schemes with similar accuracy, the CE/SE solutions display much lower numerical dissipation and dispersion errors.

  12. Spectral and photophysical properties of α-carboline (1-azacarbazole) in aqueous solutions.

    Science.gov (United States)

    García-Fernández, Emilio; Carmona, Carmen; Muñoz, María A; Hidalgo, José; Balón, Manuel

    2012-05-01

    The absorption and fluorescence spectra of α-carboline, 9H-pyrido[2,3-b]indole, AC, in organic aprotic solvents containing different water proportions and in acid/base aqueous solutions inside and outside the pH range have been examined. In the organic aprotic solvents, the addition of increasing concentrations of water sequentially quenches and shifts to the red the fluorescence spectra of AC. These spectral changes have been rationalized assuming the formation, at the lower water concentrations, of a discrete ground state non-cyclic weakly fluorescent AC hydrate emitting at 376 nm that, upon increasing the water concentrations, evolves to a higher order AC poly hydrate emitting at 397 nm. The changes of the AC absorption spectra in aqueous acid/basic solutions indicate the existence of three ground state prototropic species; the pyridinic protonated cation, C (pK(a) = 4.10 ± 0.05), the neutral, N (pK(a) = 14.5 ± 0.2), and the pyrrolic deprotonated anion, A. Conversely, the changes of the AC fluorescence spectra in these media indicate the existence of four excited state species emitting at 376 nm, 397 nm, 460 nm and 465 nm. Since the emissions at 376 nm and 397 nm satisfactorily match those of the hydrates observed in the organic-water mixtures, they were consistently assigned to two differently hydrated ground state N species. The remaining emissions at 460 nm and 465 nm have been assigned without ambiguity, on the basis of their excitation spectra, to the C and A species, respectively. The excited-state pK(a)s of the prototropic species of AC have been estimated by using the Förster-Weller cycle.

  13. Applications of the Space-Time Conservation Element and Solution Element (CE/SE) Method to Computational Aeroacoustic Benchmark Problems

    Science.gov (United States)

    Wang, Xiao-Yen; Himansu, Ananda; Chang, Sin-Chung; Jorgenson, Philip C. E.

    2000-01-01

    The Internal Propagation problems, Fan Noise problem, and Turbomachinery Noise problems are solved using the space-time conservation element and solution element (CE/SE) method. The problems in internal propagation problems address the propagation of sound waves through a nozzle. Both the nonlinear and linear quasi 1D Euler equations are solved. Numerical solutions are presented and compared with the analytical solution. The fan noise problem concerns the effect of the sweep angle on the acoustic field generated by the interaction of a convected gust with a cascade of 3D flat plates. A parallel version of the 3D CE/SE Euler solver is developed and employed to obtain numerical solutions for a family of swept flat plates. Numerical solutions for sweep angles of 0, 5, 10, and 15 deg are presented. The turbomachinery problems describe the interaction of a 2D vortical gust with a cascade of flat-plate airfoils with/without a downstream moving grid. The 2D nonlinear Euler Equations are solved and the converged numerical solutions are presented and compared with the corresponding analytical solution. All the comparisons demonstrate that the CE/SE method is capable of solving aeroacoustic problems with/without shock waves in a simple and efficient manner. Furthermore, the simple non-reflecting boundary condition used in the CE/SE method which is not based on the characteristic theory works very well in 1D, 2D and 3D problems.

  14. Spectral boundary conditions and solitonic solutions in a classical Sellmeier dielectric

    Energy Technology Data Exchange (ETDEWEB)

    Belgiorno, F. [Politecnico di Milano, Dipartimento di Matematica, Milan (Italy); INdAM-GNFM, Rome (Italy); INFN, Milan (Italy); Cacciatori, S.L. [Universita dell' Insubria, Department of Science and High Technology, Como (Italy); INFN, Milan (Italy); Vigano, A. [Universita degli Studi di Milano, Dipartimento di Fisica, Milan (Italy)

    2017-06-15

    Electromagnetic field interactions in a dielectric medium represent a longstanding field of investigation, both at the classical level and at the quantum one. We propose a 1+1 dimensional toy-model which consists of an half-line filling dielectric medium, with the aim to set up a simplified situation where technicalities related to gauge invariance and, as a consequence, physics of constrained systems are avoided, and still interesting features appear. In particular, we simulate the electromagnetic field and the polarization field by means of two coupled scalar fields φ, ψ, respectively, in a Hopfield-like model. We find that, in order to obtain a physically meaningful behavior for the model, one has to introduce spectral boundary conditions depending on the particle spectrum one is dealing with. This is the first interesting achievement of our analysis. The second relevant achievement is that, by introducing a nonlinear contribution in the polarization field ψ, with the aim of mimicking a third order nonlinearity in a nonlinear dielectric, we obtain solitonic solutions in the Hopfield model framework, whose classical behavior is analyzed too. (orig.)

  15. Superficial composition in binary solid solutions A(B): Drastic effect of pure element surface tensions

    Science.gov (United States)

    Rolland, A.; Aufray, B.

    1985-10-01

    This paper deals with a comparative study of surface segragation of Pb and Ni respectively from Ag(Pb)(111) and Ag(Ni)(111) solid solutions. A high level of segregation of the solute is observed for both systems characterized by very low solute solubility. However, the superficial composition strongly depends on the relative surface tensions of the pure elements: the solute atoms are strictly on superficial sites when γ solute is smaller than γ solvent; in contrast uppermost layer consists purely of solvent when γ solute is greater than γ solvent. Two schematic distributions in close proximity to the surface are proposed in the last case.

  16. A fully-coupled discontinuous Galerkin spectral element method for two-phase flow in petroleum reservoirs

    Science.gov (United States)

    Taneja, Ankur; Higdon, Jonathan

    2018-01-01

    A high-order spectral element discontinuous Galerkin method is presented for simulating immiscible two-phase flow in petroleum reservoirs. The governing equations involve a coupled system of strongly nonlinear partial differential equations for the pressure and fluid saturation in the reservoir. A fully implicit method is used with a high-order accurate time integration using an implicit Rosenbrock method. Numerical tests give the first demonstration of high order hp spatial convergence results for multiphase flow in petroleum reservoirs with industry standard relative permeability models. High order convergence is shown formally for spectral elements with up to 8th order polynomials for both homogeneous and heterogeneous permeability fields. Numerical results are presented for multiphase fluid flow in heterogeneous reservoirs with complex geometric or geologic features using up to 11th order polynomials. Robust, stable simulations are presented for heterogeneous geologic features, including globally heterogeneous permeability fields, anisotropic permeability tensors, broad regions of low-permeability, high-permeability channels, thin shale barriers and thin high-permeability fractures. A major result of this paper is the demonstration that the resolution of the high order spectral element method may be exploited to achieve accurate results utilizing a simple cartesian mesh for non-conforming geological features. Eliminating the need to mesh to the boundaries of geological features greatly simplifies the workflow for petroleum engineers testing multiple scenarios in the face of uncertainty in the subsurface geology.

  17. Inferring global Upper-Mantle Shear Attenuation structure by waveform tomography using the Spectral Element Method

    Science.gov (United States)

    Karaoǧlu, Haydar; Romanowicz, Barbara

    2018-01-01

    We present a global upper-mantle shear wave attenuation model that is built through a hybrid full-waveform inversion algorithm applied to long-period waveforms, using the Spectral Element Method for wavefield computations. Our inversion strategy is based on an iterative approach that involves the inversion for successive updates in the attenuation parameter (δ Q^{-1}_μ) and elastic parameters (isotropic velocity VS, and radial anisotropy parameter ξ) through a Gauss-Newton type optimization scheme that employs envelope- and waveform-type misfit functionals for the two steps, respectively. We also include source and receiver terms in the inversion steps for attenuation structure. We conducted a total of 8 iterations (6 for attenuation and 2 for elastic structure), and one inversion for updates to source parameters. The starting model included the elastic part of the relatively high resolution 3-D whole mantle seismic velocity model, SEMUCB-WM1, which served to account for elastic focusing effects. The data set is a subset of the three component surface waveform data set, filtered between 400 and 60 s, that contributed to the construction of the whole-mantle tomographic model SEMUCB-WM1. We applied strict selection criteria to this data set for the attenuation iteration steps, and investigated the effect of attenuation crustal structure on the retrieved mantle attenuation structure. While a constant 1-D Qμ model with a constant value of 165 throughout the upper-mantle was used as starting model for attenuation inversion, we were able to recover, in depth extent and strength, the high attenuation zone present in the depth range 80-200 km. The final three-dimensional model, SEMUCB-UMQ, shows strong correlation with tectonic features down to 200˜250 km depth, with low attenuation beneath the cratons, stable parts of continents and regions of old oceanic crust, and high attenuation along mid-ocean ridges and back-arcs. Below 250 km, we observe strong attenuation in

  18. Gammaradiation effect on spectral properties of oxyhemoglobin solutions of different pH in the presence of serotonin

    International Nuclear Information System (INIS)

    Artyukhov, V.G.

    1979-01-01

    Changes in spectral properties of oxyhemoglobin solutions (pH 3 to 12) of mice exposed to gammaradiation (6000R) in the presence of serotonin have been studied. It was established that serotonin (5x10 -5 M) exerts a radioprotective effect in respect of oxyhemoglobin solutions of pH 5 to 9. Serotonin fails to protect protein in the presence of catalase (1x10 -6 M). It is stated that the process of formation of hydrogen peroxide/serotonin complex appreciably contributes to the protective action of the radioprotective agent in respect of gammairradiated oxyhemoglobin solutions

  19. Efficient parallel iterative solvers for the solution of large dense linear systems arising from the boundary element method in electromagnetism

    International Nuclear Information System (INIS)

    Alleon, G.; Carpentieri, B.; Du, I.S.; Giraud, L.; Langou, J.; Martin, E.

    2003-01-01

    The boundary element method has become a popular tool for the solution of Maxwell's equations in electromagnetism. It discretizes only the surface of the radiating object and gives rise to linear systems that are smaller in size compared to those arising from finite element or finite difference discretizations. However, these systems are prohibitively demanding in terms of memory for direct methods and challenging to solve by iterative methods. In this paper we address the iterative solution via preconditioned Krylov methods of electromagnetic scattering problems expressed in an integral formulation, with main focus on the design of the pre-conditioner. We consider an approximate inverse method based on the Frobenius-norm minimization with a pattern prescribed in advance. The pre-conditioner is constructed from a sparse approximation of the dense coefficient matrix, and the patterns both for the pre-conditioner and for the coefficient matrix are computed a priori using geometric information from the mesh. We describe the implementation of the approximate inverse in an out-of-core parallel code that uses multipole techniques for the matrix-vector products, and show results on the numerical scalability of our method on systems of size up to one million unknowns. We propose an embedded iterative scheme based on the GMRES method and combined with multipole techniques, aimed at improving the robustness of the approximate inverse for large problems. We prove by numerical experiments that the proposed scheme enables the solution of very large and difficult problems efficiently at reduced computational and memory cost. Finally we perform a preliminary study on a spectral two-level pre-conditioner to enhance the robustness of our method. This numerical technique exploits spectral information of the preconditioned systems to build a low rank-update of the pre-conditioner. (authors)

  20. Evaluation of element migration from food plastic packagings into simulated solutions using radiometric method

    International Nuclear Information System (INIS)

    Soares, Eufemia Paez; Saiki, Mitiko; Wiebeck, Helio

    2005-01-01

    In the present study a radiometric method was established to determine the migration of elements from food plastic packagings to a simulated acetic acid solution. This radiometric method consisted of irradiating plastic samples with neutrons at IEA-R1 nuclear reactor for a period of 16 hours under a neutron flux of 10 12 n cm -2 s -1 and, then to expose them to the element migration into a simulated solution. The radioactivity of the activated elements transferred to the solutions was measured to evaluate the migration. The experimental conditions were: time of exposure of 10 days at 40 deg C and 3% acetic acid solution was used as simulated solution, according to the procedure established by the National Agency of Sanitary Monitoring (ANVISA). The migration study was applied for plastic samples from soft drink and juice packagings. The results obtained indicated the migration of elements Co, Cr and Sb. The advantage of this methodology was no need to analyse the blank of simulantes, as well as the use of high purity simulated solutions. Besides, the method allows to evaluate the migration of the elements into the food content instead of simulated solution. The detention limits indicated high sensitivity of the radiometric method. (author)

  1. Determination of rare earth elements in pure solutions by X-ray fluorescence method

    International Nuclear Information System (INIS)

    Kuada, T.A.

    1984-01-01

    An X-ray fluorescence method for the determination of rare earth elements in pure solutions is described. The thin film sample preparation technique, by dropping the solution on filter paper as supporting material, has been utilized. The best conditions for X-ray spectrometer operation have been stablished. The analytical lines and internal standard have been selected, defining measurement conditions for each rare earth elements. With the settled parameters, the rare earth elements in pure solutions were determined. The concentration range during the runs was from 0,05 to 5 gRE/L, depending on the element. The standard deviation was less than 10% and the accuracy was between 0,2 to 10% as a function of the concentration. The main interfering lines of others lanthanides were studied for each element, and the method was also applied to fission products represented by the rare earth alements. The method is suitable for individual rare earth element determination in presence of some lanthanides. However, in solutions containing a mixture of all rare earth elements, the X-ray emission spectrum is very complex, making it difficult to get accurated measurements. In relation to fission products represented by rare earth elements, only Ce, Pr, Nd and Sm could be analised in presence of uranium and other fission products. (Author) [pt

  2. Mixed spectral finite elements and perfectly matched layers for elastic waves in time domain; Elements finis mixtes spectraux et couches absorbantes parfaitement adaptees pour la propagation d'ondes elastiques en regime transitoire

    Energy Technology Data Exchange (ETDEWEB)

    Fauqueux, S.

    2003-02-01

    We consider the propagation of elastic waves in unbounded domains. A new formulation of the linear elasticity system as an H (div) - L{sup 2} system enables us to use the 'mixed spectral finite element method', This new method is based on the definition of new spaces of approximation and the use of mass-lumping. It leads to an explicit scheme with reduced storage and provides the same solution as the spectral finite element method. Then, we model unbounded domains by using Perfectly Matched Layers. Instabilities in the PML in the case of particular 2D elastic media are pointed out and investigated. The numerical method is validated and tested in the case of acoustic and elastic realistic models. A plane wave analysis gives results about numerical dispersion and shows that meshes adapted to the physical and geometrical properties of the media are more accurate than the others. Then, an extension of the method to fluid-solid coupling is introduced for 2D seismic propagation. (author)

  3. Finite element solution of optimal control problems with state-control inequality constraints

    Science.gov (United States)

    Bless, Robert R.; Hodges, Dewey H.

    1992-01-01

    It is demonstrated that the weak Hamiltonian finite-element formulation is amenable to the solution of optimal control problems with inequality constraints which are functions of both state and control variables. Difficult problems can be treated on account of the ease with which algebraic equations can be generated before having to specify the problem. These equations yield very accurate solutions. Owing to the sparse structure of the resulting Jacobian, computer solutions can be obtained quickly when the sparsity is exploited.

  4. Synthesis and spectral properties of preorganized BODIPYs in solutions and Langmuir-Schaefer films

    Science.gov (United States)

    Marfin, Yuriy S.; Usoltsev, Sergey D.; Kazak, Alexandr V.; Smirnova, Antonina I.; Rumyantsev, Evgeniy V.; Molchanov, Evgeniy E.; Kuznetsov, Vladimir V.; Chumakov, Alexey S.; Glukhovskoy, Evgeny G.

    2017-12-01

    In order to investigate the influence of molecular structure peculiarities of boron-dipyrrine dyes (BODIPYs) on their properties in solutions and supramolecular organization in Langmuir-Schaefer (LS) films, four new BODIPY dyes with various aliphatic, aromatic or mixed nature meso-subtituents were synthesized and investigated. Spectral characteristics (electronic absorption and fluorescence) of the synthesized compounds in organic solvents and LS-films were studied. Floating monolayers of the BODIPYs were formed from chloroform solutions placed onto water subphase in Langmuir-Blodgett through. Thin films were prepared using the Langmuir-Schaefer technique by the transfer of floating monolayers onto standard polished glass, ITO covered glass or pure silicon substrate. The variation of the dye structure we consider as a preorganization aiming to influence the structure of LS-films. The morphology and structure of the LS-films was examined by fluorescent microscopy, scanning electron microscopy, atomic force microscopy and small angle X-ray diffraction analysis. It was found that the introduced substituents have no substantial influence on the position of the absorption and fluorescence bands in dilute solutions. In contrast, the fluorescent characteristics of the LS-films significantly depend on the substituent nature. Therefore, this strategy could be used for the direct tuning of compounds fluorescent properties in LS-films. Concerning the LS-film surface characteristics it was proved that the films are homogeneous, without disruptions and only some widely-spaced microcrystals could be observed. With respect to the LS-film structure, the change of the substituents introduced to the BODIPY molecule did not influence the average given periodicity of layers (d = 0.3-0.4 nm). This value corresponds to a single-layer arrangement of BODIPY molecules located parallel to the substrate surface. Nevertheless, the diffraction peak intensities depended on the molecular

  5. Spectral-element global waveform tomography: A second-generation upper-mantle model

    Science.gov (United States)

    French, S. W.; Lekic, V.; Romanowicz, B. A.

    2012-12-01

    The SEMum model of Lekic and Romanowicz (2011a) was the first global upper-mantle VS model obtained using whole-waveform inversion with spectral element (SEM: Komatitsch and Vilotte, 1998) forward modeling of time domain three component waveforms. SEMum exhibits stronger amplitudes of heterogeneity in the upper 200km of the mantle compared to previous global models - particularly with respect to low-velocity anomalies. To make SEM-based waveform inversion tractable at global scales, SEMum was developed using: (1) a version of SEM coupled to 1D mode computation in the earth's core (C-SEM, Capdeville et al., 2003); (2) asymptotic normal-mode sensitivity kernels, incorporating multiple forward scattering and finite-frequency effects in the great-circle plane (NACT: Li and Romanowicz, 1995); and (3) a smooth anisotropic crustal layer of uniform 60km thickness, designed to match global surface-wave dispersion while reducing the cost of time integration in the SEM. The use of asymptotic kernels reduced the number of SEM computations considerably (≥ 3x) relative to purely numerical approaches (e.g. Tarantola, 1984), while remaining sufficiently accurate at the periods of interest (down to 60s). However, while the choice of a 60km crustal-layer thickness is justifiable in the continents, it can complicate interpretation of shallow oceanic upper-mantle structure. We here present an update to the SEMum model, designed primarily to address these concerns. The resulting model, SEMum2, was derived using a crustal layer that again fits global surface-wave dispersion, but with a more geologically consistent laterally varying thickness: approximately honoring Crust2.0 (Bassin, et al., 2000) Moho depth in the continents, while saturating at 30km in the oceans. We demonstrate that this approach does not bias our upper mantle model, which is constrained not only by fundamental mode surface waves, but also by overtone waveforms. We have also improved our data-selection and

  6. Use of the iterative solution method for coupled finite element and boundary element modeling

    International Nuclear Information System (INIS)

    Koteras, J.R.

    1993-07-01

    Tunnels buried deep within the earth constitute an important class geomechanics problems. Two numerical techniques used for the analysis of geomechanics problems, the finite element method and the boundary element method, have complementary characteristics for applications to problems of this type. The usefulness of combining these two methods for use as a geomechanics analysis tool has been recognized for some time, and a number of coupling techniques have been proposed. However, not all of them lend themselves to efficient computational implementations for large-scale problems. This report examines a coupling technique that can form the basis for an efficient analysis tool for large scale geomechanics problems through the use of an iterative equation solver

  7. The Method of Space-time Conservation Element and Solution Element: Development of a New Implicit Solver

    Science.gov (United States)

    Chang, S. C.; Wang, X. Y.; Chow, C. Y.; Himansu, A.

    1995-01-01

    The method of space-time conservation element and solution element is a nontraditional numerical method designed from a physicist's perspective, i.e., its development is based more on physics than numerics. It uses only the simplest approximation techniques and yet is capable of generating nearly perfect solutions for a 2-D shock reflection problem used by Helen Yee and others. In addition to providing an overall view of the new method, we introduce a new concept in the design of implicit schemes, and use it to construct a highly accurate solver for a convection-diffusion equation. It is shown that, in the inviscid case, this new scheme becomes explicit and its amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, its principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme.

  8. Distribution of trace elements between clays and zeolites and aqueous solutions similar to sea water

    International Nuclear Information System (INIS)

    Berger, G.

    1992-01-01

    The mechanisms of solid-solution partitioning during mineral crystallization in sea water have been investigated for Rb, Cs, Co, Sr, U, Th and lanthanides as trace elements, and Fe, Mg-chlorite/smectites and Na-zeolites as solid phases. These minerals have been synthesized by alteration at 40 o C in saline solutions of silicate glasses of appropriate compositions. The variation of the distribution coefficients (D) with the concentration of the elements as well as competition mechanisms between elements of analogous crystallochemical properties have been studied. The ''trapping'' of trace elements is shown to be governed by two mechanisms, according to D values or to water-rock ratios. At low values of D the incorporation of elements is controlled only by D, whereas at high values it is controlled by the number of available crystallochemical sites. (Author)

  9. Solution microcalorimeter for measuring heats of solution of radioactive elements and compounds

    International Nuclear Information System (INIS)

    Raschella, D.L.

    1978-12-01

    The microcalorimeter vessel is constructed of tantalum metal, with a nominal volume of 5 cm 3 . Its energy equivalent is 24 J K -1 when containing 5 cm 3 H 2 O. The thermal leakage modulus is 0.010 min -1 . A thermistor is employed as the temperature sensor. The operating sensitivity is about 1 x 10 -5 K (300 μJ). The performance of the calorimetry system was tested using tris(hydroxymethyl)aminomethane (TRIS) and magnesium metal. The results of the TRIS experiments, at a concentration of 1 g dm -3 in 0.1 N HCl at 298 K, yielded a heat of solution of -29.606 +- 0.063 kJ mol -1 . The magnesium experiments, in 1 N HCl at 298 K, gave a heat of solution of -465.965 +- 1.136 kJ mol -1 . The heat of solution of curium-248 metal in 1 N HCl at 298 K was measured. The experiments, which should not be considered definitive, yielded a heat of solution of -606.4 +- 1.8 kJ mol -1 . A single measurement in 6 N HCl gave a heat of solution of -602.3 kJ mol -1 . From these results the heat of formation of Cm 3+ /sub (aq)/ is calculated to be -607.2 +- 2.5 kJ mol -1

  10. Effect of organic substrates on available elemental contents in nutrient solution

    Energy Technology Data Exchange (ETDEWEB)

    Ao, Y.S.; Sun, M.; Li, Y.Q. [Shanghai Jiao Tong University, Shanghai (China). School for Agriculture & Biology

    2008-07-15

    In this paper, the changes of available elemental contents in the nutrient solution extracts of organic substrates (peat moss, charred rice husk, chicken manure, sawdust, turfgrass clipping and weathered coal) were studied and compared with that in the water extracts. Results showed that available elemental contents in the nutrient solution extracts are significantly different between organic substrates, whereas ionic concentrations are basically under steady condition after treatment for 36-108 h. Ionic contents in the nutrient solution extracts are not equal to the value of adding ionic concentrations in the supplied nutrient solution to that in the water extract. Thus, a mathematical model was proposed for adjusting the composition of supplied nutrient solution to match plant requirements in the organic soilless culture system.

  11. Isolation of transplutonium elements on ion exchangers from solutions of high salt concentration

    International Nuclear Information System (INIS)

    Guseva, L.I.; Tikhomirova, G.S.; Stepushkina, V.V.

    1985-01-01

    The behaviour of transplutonium elements (TPE) on cation and anion exchangers in aqueous alcoholic solutions of chlorides and nitrates of some alkali and alkaline earth metals depending on different factors: salt concentration, content of alcohol and of acid in the solution as well as the nature of a cation was studied. The data obtained were used to determine the optimal conditions of concentration of TPE on ion exchangers from solutions containing great quantities of salts. The advantages of the use of aqueous alcoholic solutions of nitric acid in the isolation of TPE are shown. (author)

  12. Fission products determination in high activity waste solution by wavelength dispersive X-ray fluorescence spectral interference correction by intensity ratio

    International Nuclear Information System (INIS)

    Sato, I.M.

    1988-01-01

    Fission products Se, Rb, Y, Zr, Mo, Ru, Rh, Pd, Te, Cd, Cs, Ba, La, Ce, Pr, Nd, Sm, Eu and Gd were determined in simulated high activity radioactive waste solution by wavelength dispersive X-ray fluorescence spectrometry without chemical separation. Thin layer technique was employed for the sample preparation. For the L spectral lines, the absorption effect was verified by Rasberry-Heinrich, Lucas Tooth-Pyne and Lachance-Trail relations. This effect was quantified and corrected accordingly. The spectral interferences of Kα and/or Lα lines of Y, Zr, Mo, La, Ce, Pr, Nd, Sm, Eu and Gd elements were eliminated by the intensity ratio method. The overlapping of up to three analytical lines was corrected by applying this method. The concentration influence of the interfering element on the intensity ratio values as well the efficiency of the correction method were investigated in order to assure that no systematic or residual error, resulting from the correction, affect the actual fluorescent intensity determination. The results is compared with the data obtained from measurements of free lines of spectral interference and also with those obtained by the linear equation system. Fission products determination presented a precision in the range of 0.1 to 5.0% and an accuracy of up to ± 7.0% the results are compared with those obtained by neutron activation analysis and inductively coupled plasma - atomic emission spectrometry. Leaching data, when radioactive waste is incorporated in cement matrix, were attempted by X-ray fluorescence technique. For two years leaching period, leaching rate and diffusion coefficient data of cesium were determined. The results obtained agree with those obtained by γ-spectromety. (author) [pt

  13. Parallel iterative procedures for approximate solutions of wave propagation by finite element and finite difference methods

    Energy Technology Data Exchange (ETDEWEB)

    Kim, S. [Purdue Univ., West Lafayette, IN (United States)

    1994-12-31

    Parallel iterative procedures based on domain decomposition techniques are defined and analyzed for the numerical solution of wave propagation by finite element and finite difference methods. For finite element methods, in a Lagrangian framework, an efficient way for choosing the algorithm parameter as well as the algorithm convergence are indicated. Some heuristic arguments for finding the algorithm parameter for finite difference schemes are addressed. Numerical results are presented to indicate the effectiveness of the methods.

  14. Solution of two energy-group neutron diffusion equation by triangular elements

    International Nuclear Information System (INIS)

    Correia Filho, A.

    1981-01-01

    The application of the triangular finite elements of first order in the solution of two energy-group neutron diffusion equation in steady-state conditions is aimed at. The EFTDN (triangular finite elements in neutrons diffusion) computer code in FORTRAN IV language is developed. The discrete formulation of the diffusion equation is obtained applying the Galerkin method. The power method is used to solve the eigenvalues' problem and the convergence is accelerated through the use of Chebshev polynomials. For the equation systems solution the Gauss method is applied. The results of the analysis of two test-problems are presented. (Author) [pt

  15. Spectral-Element Seismic Wave Propagation Codes for both Forward Modeling in Complex Media and Adjoint Tomography

    Science.gov (United States)

    Smith, J. A.; Peter, D. B.; Tromp, J.; Komatitsch, D.; Lefebvre, M. P.

    2015-12-01

    We present both SPECFEM3D_Cartesian and SPECFEM3D_GLOBE open-source codes, representing high-performance numerical wave solvers simulating seismic wave propagation for local-, regional-, and global-scale application. These codes are suitable for both forward propagation in complex media and tomographic imaging. Both solvers compute highly accurate seismic wave fields using the continuous Galerkin spectral-element method on unstructured meshes. Lateral variations in compressional- and shear-wave speeds, density, as well as 3D attenuation Q models, topography and fluid-solid coupling are all readily included in both codes. For global simulations, effects due to rotation, ellipticity, the oceans, 3D crustal models, and self-gravitation are additionally included. Both packages provide forward and adjoint functionality suitable for adjoint tomography on high-performance computing architectures. We highlight the most recent release of the global version which includes improved performance, simultaneous MPI runs, OpenCL and CUDA support via an automatic source-to-source transformation library (BOAST), parallel I/O readers and writers for databases using ADIOS and seismograms using the recently developed Adaptable Seismic Data Format (ASDF) with built-in provenance. This makes our spectral-element solvers current state-of-the-art, open-source community codes for high-performance seismic wave propagation on arbitrarily complex 3D models. Together with these solvers, we provide full-waveform inversion tools to image the Earth's interior at unprecedented resolution.

  16. Assessment of the leaching of metallic elements in the technology of solidification in aqueous solution.

    Science.gov (United States)

    Rossetti, V Alunno; Di Palma, L; Medici, F

    2002-01-01

    Results are presented of experiments performed to optimize the solidification/stabilization system for metallic elements in aqueous solution. This system involves mixing cement and a solution of metallic elements in a conventional mixer: the paste thus obtained is transferred drop by drop into a recipient filled with an aqueous solution of NaOH at 20% by weight, in which it solidifies immediately. The separate use of chloride solutions of Li+, Cr3+, Pb2+ and Zn2+ makes it possible to obtain granules displaying various levels of compressive strength. Three different inertization matrices were used in the experiments, the first consisting solely of Portland cement, the second of Portland cement and a superplasticizer additive, and the third of Portland cement partially replaced with silica-fume and superplasticizer. The results of the tests performed showed a very low level of leaching into the alkaline solidification solution for Cr3+, the quantity leached being under 2% as against higher levels for the other metallic elements. For all the considered elements, the best results were obtained by using silica-fume in the inertization matrix.

  17. Mutual influences in solution spectroscopy of Fe, Ni Cr, Ti elements taken two by two

    International Nuclear Information System (INIS)

    Baudin, Guy; Henon, Genevieve

    1960-01-01

    The effect of third elements in solution spectroscopy has been studied for Fe, Ni Cr, Ti elements taken two by two. The existence of a linear relation Δc x /c x = f(c y ) between this effect and the third element concentration has been evidenced and opens interesting perspectives for the analysis of stainless steels. Reprint of a paper published in Comptes rendus des seances de l'Academie des Sciences, t. 250, p. 1463-1465, sitting of 22 February 1960 [fr

  18. Maximum-principle-satisfying space-time conservation element and solution element scheme applied to compressible multifluids

    KAUST Repository

    Shen, Hua

    2016-10-19

    A maximum-principle-satisfying space-time conservation element and solution element (CE/SE) scheme is constructed to solve a reduced five-equation model coupled with the stiffened equation of state for compressible multifluids. We first derive a sufficient condition for CE/SE schemes to satisfy maximum-principle when solving a general conservation law. And then we introduce a slope limiter to ensure the sufficient condition which is applicative for both central and upwind CE/SE schemes. Finally, we implement the upwind maximum-principle-satisfying CE/SE scheme to solve the volume-fraction-based five-equation model for compressible multifluids. Several numerical examples are carried out to carefully examine the accuracy, efficiency, conservativeness and maximum-principle-satisfying property of the proposed approach.

  19. Five-element Digital Corrector Receiver for the Chinese Spectral Radioheliograph

    Science.gov (United States)

    Zhao, An; Yan, Yihua; Wang, Wei; Chen, Linjie; Zhang, Jian; Liu, Fei

    2013-07-01

    The design of five-element digital receiver system is decribed. At first, we analyzed the process of data processing in the receiver system. Then we wrote programs to implement the FIR parallel filter and showed its simulation results. Finally the testing result of the correlation receiver system is demonstrated.

  20. Determining elemental composition of phytochemicals in camelina seed meal by high mass accuracy and spectral accuracy

    Science.gov (United States)

    An optimized single run evaluation that would accurately determine the elemental composition of as many compounds present in an extract would greatly aid in the evaluation of plant tissues. For phytochemicals, we have used accurate mass analysis to quickly characterize the potential chemical formula...

  1. Solution of finite element problems using hybrid parallelization with MPI and OpenMP Solution of finite element problems using hybrid parallelization with MPI and OpenMP

    Directory of Open Access Journals (Sweden)

    José Miguel Vargas-Félix

    2012-11-01

    Full Text Available The Finite Element Method (FEM is used to solve problems like solid deformation and heat diffusion in domains with complex geometries. This kind of geometries requires discretization with millions of elements; this is equivalent to solve systems of equations with sparse matrices and tens or hundreds of millions of variables. The aim is to use computer clusters to solve these systems. The solution method used is Schur substructuration. Using it is possible to divide a large system of equations into many small ones to solve them more efficiently. This method allows parallelization. MPI (Message Passing Interface is used to distribute the systems of equations to solve each one in a computer of a cluster. Each system of equations is solved using a solver implemented to use OpenMP as a local parallelization method.The Finite Element Method (FEM is used to solve problems like solid deformation and heat diffusion in domains with complex geometries. This kind of geometries requires discretization with millions of elements; this is equivalent to solve systems of equations with sparse matrices and tens or hundreds of millions of variables. The aim is to use computer clusters to solve these systems. The solution method used is Schur substructuration. Using it is possible to divide a large system of equations into many small ones to solve them more efficiently. This method allows parallelization. MPI (Message Passing Interface is used to distribute the systems of equations to solve each one in a computer of a cluster. Each system of equations is solved using a solver implemented to use OpenMP as a local parallelization method.

  2. Conjugation of fiber-coupled wide-band light sources and acousto-optical spectral elements

    Science.gov (United States)

    Machikhin, Alexander; Batshev, Vladislav; Polschikova, Olga; Khokhlov, Demid; Pozhar, Vitold; Gorevoy, Alexey

    2017-12-01

    Endoscopic instrumentation is widely used for diagnostics and surgery. The imaging systems, which provide the hyperspectral information of the tissues accessible by endoscopes, are particularly interesting and promising for in vivo photoluminescence diagnostics and therapy of tumour and inflammatory diseases. To add the spectral imaging feature to standard video endoscopes, we propose to implement acousto-optical (AO) filtration of wide-band illumination of incandescent-lamp-based light sources. To collect maximum light and direct it to the fiber-optic light guide inside the endoscopic probe, we have developed and tested the optical system for coupling the light source, the acousto-optical tunable filter (AOTF) and the light guide. The system is compact and compatible with the standard endoscopic components.

  3. Stability estimates for h-p spectral element methods for general ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    ear polygon whose sides are piecewise analytic (smooth) and we assume the boundary conditions are of mixed Neumann and Dirichlet type as in [1,2,5]. We now briefly describe the contents of this paper. In §2 we discuss function spaces and obtain differentiability estimates for the solution in modified polar coordinates in a ...

  4. Elemental, mineralogical, and pore-solution compositions of selected Canadian clays

    International Nuclear Information System (INIS)

    Oscarson, D.W.; Dixon, D.A.

    1989-03-01

    Clay materials will be an important component of a barrier and sealing system in a nuclear fuel waste disposal vault in Canada. In this report the elemental, mineralogical, and pore-solution compositions of candidate clay sealing materials for the Canadian Nuclear Fuel Waste Management Program are presented

  5. Multilevel iterative solvers for the edge finite element solution of the 3D Maxwell equation

    NARCIS (Netherlands)

    Nechaev, O.V.; Shurina, E.P.; Bochev, Mikhail A.

    2008-01-01

    In the edge vector finite element solution of the frequency domain Maxwell equations, the presence of a large kernel of the discrete rotor operator is known to ruin convergence of standard iterative solvers. We extend the approach of [R. Hiptmair, Multigrid method for Maxwell’s equations, SIAM J.

  6. Multilevel iterative solvers for the edge finite element solution of the 3D Maxwell equation

    NARCIS (Netherlands)

    Nechaev, O.V.; Shurina, E.P.; Bochev, Mikhail A.

    In the edge vector finite element solution of the frequency domain Maxwell equations, the presence of a large kernel of the discrete rotor operator is known to ruin convergence of standard iterative solvers. We extend the approach of [1] and, using domain decomposition ideas, construct a multilevel

  7. Solution of Fokker–Planck equation by finite element and finite ...

    Indian Academy of Sciences (India)

    Abstract. The response of a structural system to white noise excitation (delta- correlated) constitutes a Markov vector process whose transitional probability den- sity function (TPDF) is governed by both the forward Fokker–Planck and backward. Kolmogorov equations. Numerical solution of these equations by finite element ...

  8. Solution of Fokker–Planck equation by finite element and finite ...

    Indian Academy of Sciences (India)

    The response of a structural system to white noise excitation (delta-correlated) constitutes a Markov vector process whose transitional probability density function (TPDF) is governed by both the forward Fokker–Planck and backward Kolmogorov equations. Numerical solution of these equations by finite element and finite ...

  9. Solution of Fokker–Planck equation by finite element and finite ...

    Indian Academy of Sciences (India)

    hindered by the problem of dimensionality. In this paper numerical solution of the stationary and transient form of the Fokker–Planck (FP) equation corresponding to two state nonlinear systems is obtained by standard sequential finite element method. (FEM) using C0 shape function and Crank–Nicholson time integration ...

  10. Conforming discretizations of boundary element solutions to the electroencephalography forward problem

    Science.gov (United States)

    Rahmouni, Lyes; Adrian, Simon B.; Cools, Kristof; Andriulli, Francesco P.

    2018-01-01

    discretization based on dual boundary elements residing on a suitably defined dual mesh. We devote also a particular attention to implementation-oriented details of our new technique that will allow the rapid incorporation of our finding in one's own EEG forward solution technology. We conclude by showing how the resulting forward EEG problems show favorable properties with respect to previously proposed schemes, and we show their applicability to real-case modeling scenarios obtained from Magnetic Resonance Imaging (MRI) data. xml:lang="fr" Malheureusement, il est également reconnu dans la littérature que leur précision diminue particulièrement lorsque la source de courant est dipolaire et se situe près de la surface du cerveau. Ce défaut constitue une importante limitation, étant donné qu'au cours d'une session d'imagerie EEG à haute résolution, plusieurs solutions du problème direct EEG sont requises, pour lesquelles les sources de courant sont proches ou sur la surface de cerveau. Ce travail présente d'abord une analyse des opérateurs intervenant dans le problème direct et leur discrétisation. Nous montrons que plusieurs discrétisations couramment utilisées ne conviennent que dans un cadre L2, nécessitant que le terme d'expansion soit une fonction de carré intégrable. Dès lors, ces techniques ne sont pas cohérentes avec les propriétés spectrales des opérateurs en termes d'espaces de Sobolev d'ordre fractionnaire. Nous développons ensuite une nouvelle stratégie de discrétisation conforme aux espaces de Sobolev avec des fonctions d'expansion moins régulières, donnant lieu à une nouvelle formulation intégrale. Le solveur résultant présente des propriétés favorables par rapport aux méthodes existantes et réduit sensiblement le recours à un maillage adaptatif et autres stratégies actuellement requises pour améliorer la précision du calcul. Les résultats numériques présentés corroborent les développements théoriques et mettent en

  11. Spectral and thermal behaviours of rare earth element complexes with 3,5-dimethoxybenzoic acid

    Directory of Open Access Journals (Sweden)

    JANUSZ CHRUŚCIEL

    2003-10-01

    Full Text Available The conditions for the formation of rare earth element 3,5-dimethytoxybenzoates were studied and their quantitative composition and solubilities in water at 293 K were determined. The complexes are anhydrous or hydrated salts and their solubilities are of the orders of 10-5 – 10-4 mol dm-3. Their FTIR, FIR and X-ray spectra were recorded. The compounds were also characterized by thermogravimetric studies in air and nitrogen atmospheres and by magnetic measurements. All complexes are crystalline compounds. The carboxylate group in these complexes is a bidentate, chelating ligand. On heating in air to 1173 K, the 3,5-dimethoxybenzoates of rare earth elements decompose in various ways. The hydrated complexes first dehydrate to form anhydrous salts which then decompose in air to the oxides of the respective metals while in nitrogen to mixtures of carbon and oxides of the respective metals. The complexes are more stable in air than in nitrogen.

  12. Stability estimates for h-p spectral element methods for general ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    element method which allows for simultaneous mesh refinement and variable polynomial ... Finally, we indicate how the mesh refinement strategy and choice ..... We define σk. 1 = 0. Thus Ik,j = Ik for j ≤ M; in fact, we shall let Ik,j = Ik for j ≤ M +1. Moreover Ik,j ≤ I for all k, j where I is a fixed constant. Let k+j = {(rk,θk)|θk = f k.

  13. Cost effective spectral sensor solutions for hand held and field applications

    Science.gov (United States)

    Reetz, Edgar; Correns, Martin; Notni, Gunther

    2015-05-01

    Optical spectroscopy is without doubt one of the most important non-contact measurement principles. It is used in a wide range of applications from bio-medical to industrial fields. One recent trend is to miniaturize spectral sensors to address new areas of application. The most common spectral sensor type is based on diffraction gratings, while other types are based on micro mechanical systems (MEMS) or filter technologies. The authors represent the opinion that there is a potentially wide spread field of applications for spectrometers, but the market limits the range of applications since they cannot keep up with targeted cost requirements for consumer products. The present article explains an alternative approach for miniature multichannel spectrometer to enhance robustness for hand held field applications at a cost efficient price point.

  14. Anion-exchange Studies of Radioactive Trace Elements in Sulphuric Acid Solutions

    International Nuclear Information System (INIS)

    Samsahl, K.

    1963-01-01

    As part of a chemical group separation procedure used as a pretreatment in gamma spectrometric analysis, a study has been made of the adsorption from sulphuric acid solutions on strongly basic anion exchange resins, prepared in the hydroxide and the sulphate forms, of trace activities of Na, P, K, Ca, Sc, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Rb, Sr, Zr, Nb, Mo, Tc, Ag, Cd, In, Cs, Ba, La, Ce, Hf, Ta, W, Ir, Pa and Np. Besides adsorbing some of the trace elements in the solution, the anion exchange resin in the hydroxide form will neutralize the bulk of the sulphuric acid. This makes possible the subsequent sequential separation of chloride complexes on short anion-exchange columns by a stepwise increasing of the HCl concentration of the solution. On the basis of the results obtained in the present and earlier experiments, a new improved chemical group-separation procedure for mixtures of radioactive trace elements is outlined

  15. Spectral element modelling of wave propagation in isotropic and anisotropic shell-structures including different types of damage

    International Nuclear Information System (INIS)

    Schulte, R T; Fritzen, C-P; Moll, J

    2010-01-01

    During the last decades, guided waves have shown great potential for Structural Health Monitoring (SHM) applications. These waves can be excited and sensed by piezoelectric elements that can be permanently attached onto a structure offering online monitoring capability. However, the setup of wave based SHM systems for complex structures may be very difficult and time consuming. For that reason there is a growing demand for efficient simulation tools providing the opportunity to design wave based SHM systems in a virtual environment. As usually high frequency waves are used, the associated short wavelength leads to the necessity of a very dense mesh, which makes conventional finite elements not well suited for this purpose. Therefore in this contribution a flat shell spectral element approach is presented. By including electromechanical coupling a SHM system can be simulated entirely from actuator voltage to sensor voltage. Besides a comparison to measured data for anisotropic materials including delamination, a numerical example of a more complex, stiffened shell structure with debonding is presented.

  16. Modelling and analysis of nonlinear guided waves interaction at a breathing crack using time-domain spectral finite element method

    Science.gov (United States)

    He, Shuai; Ng, Ching Tai

    2017-08-01

    This study proposes a time-domain spectral finite element (SFE) model and investigates nonlinear guided wave interaction at a breathing crack. An extended time-domain SFE method based on the Mindlin-Hermann rod and Timoshenko beam theory is proposed to predict the nonlinear guided wave generation at the breathing crack. An SFE crack element is proposed to simulate the mode-conversion effect, in which a bilinear crack mechanism is implemented to take into account the contact nonlinearity at the breathing crack. There is good agreement between the results calculated using the proposed time-domain SFE method and three-dimensional finite element simulation. This demonstrates the accuracy of the proposed SFE method in simulating contact nonlinearity at the breathing crack. Parametric studies using the fundamental symmetric (S0) and anti-symmetric (A0) modes of guided waves are also carried out to provide physical insights into the higher harmonics generated due to the contact nonlinearity at the breathing crack. The magnitude of the higher harmonics generated as a function of the crack depth is investigated in detail. The results show that the mode-converted higher harmonic guided waves provide valuable information for damage detection.

  17. A Novel Operational Matrix of Caputo Fractional Derivatives of Fibonacci Polynomials: Spectral Solutions of Fractional Differential Equations

    Directory of Open Access Journals (Sweden)

    Waleed M. Abd-Elhameed

    2016-09-01

    Full Text Available Herein, two numerical algorithms for solving some linear and nonlinear fractional-order differential equations are presented and analyzed. For this purpose, a novel operational matrix of fractional-order derivatives of Fibonacci polynomials was constructed and employed along with the application of the tau and collocation spectral methods. The convergence and error analysis of the suggested Fibonacci expansion were carefully investigated. Some numerical examples with comparisons are presented to ensure the efficiency, applicability and high accuracy of the proposed algorithms. Two accurate semi-analytic polynomial solutions for linear and nonlinear fractional differential equations are the result.

  18. Quasistatic field simulations based on finite elements and spectral methods applied to superconducting magnets

    International Nuclear Information System (INIS)

    Koch, Stephan

    2009-01-01

    This thesis is concerned with the numerical simulation of electromagnetic fields in the quasi-static approximation which is applicable in many practical cases. Main emphasis is put on higher-order finite element methods. Quasi-static applications can be found, e.g., in accelerator physics in terms of the design of magnets required for beam guidance, in power engineering as well as in high-voltage engineering. Especially during the first design and optimization phase of respective devices, numerical models offer a cheap alternative to the often costly assembly of prototypes. However, large differences in the magnitude of the material parameters and the geometric dimensions as well as in the time-scales of the electromagnetic phenomena involved lead to an unacceptably long simulation time or to an inadequately large memory requirement. Under certain circumstances, the simulation itself and, in turn, the desired design improvement becomes even impossible. In the context of this thesis, two strategies aiming at the extension of the range of application for numerical simulations based on the finite element method are pursued. The first strategy consists in parallelizing existing methods such that the computation can be distributed over several computers or cores of a processor. As a consequence, it becomes feasible to simulate a larger range of devices featuring more degrees of freedom in the numerical model than before. This is illustrated for the calculation of the electromagnetic fields, in particular of the eddy-current losses, inside a superconducting dipole magnet developed at the GSI Helmholtzzentrum fuer Schwerionenforschung as a part of the FAIR project. As the second strategy to improve the efficiency of numerical simulations, a hybrid discretization scheme exploiting certain geometrical symmetries is established. Using this method, a significant reduction of the numerical effort in terms of required degrees of freedom for a given accuracy is achieved. The

  19. New developments in the method of space-time conservation element and solution element: Applications to the Euler and Navier-Stokes equations

    Science.gov (United States)

    Chang, Sin-Chung

    1993-01-01

    A new numerical framework for solving conservation laws is being developed. This new approach differs substantially in both concept and methodology from the well-established methods--i.e., finite difference, finite volume, finite element, and spectral methods. It is conceptually simple and designed to avoid several key limitations to the above traditional methods. An explicit model scheme for solving a simple 1-D unsteady convection-diffusion equation is constructed and used to illuminate major differences between the current method and those mentioned above. Unexpectedly, its amplification factors for the pure convection and pure diffusion cases are identical to those of the Leapfrog and the DuFort-Frankel schemes, respectively. Also, this explicit scheme and its Navier-Stokes extension have the unusual property that their stabilities are limited only by the CFL condition. Moreover, despite the fact that it does not use any flux-limiter or slope-limiter, the Navier-Stokes solver is capable of generating highly accurate shock tube solutions with shock discontinuities being resolved within one mesh interval. An accurate Euler solver also is constructed through another extension. It has many unusual properties, e.g., numerical diffusion at all mesh points can be controlled by a set of local parameters.

  20. Using Finite Element and Eigenmode Expansion Methods to Investigate the Periodic and Spectral Characteristic of Superstructure Fiber Bragg Gratings.

    Science.gov (United States)

    He, Yue-Jing; Hung, Wei-Chih; Lai, Zhe-Ping

    2016-02-04

    In this study, a numerical simulation method was employed to investigate and analyze superstructure fiber Bragg gratings (SFBGs) with five duty cycles (50%, 33.33%, 14.28%, 12.5%, and 10%). This study focuses on demonstrating the relevance between design period and spectral characteristics of SFBGs (in the form of graphics) for SFBGs of all duty cycles. Compared with complicated and hard-to-learn conventional coupled-mode theory, the result of the present study may assist beginner and expert designers in understanding the basic application aspects, optical characteristics, and design techniques of SFBGs, thereby indirectly lowering the physical concepts and mathematical skills required for entering the design field. To effectively improve the accuracy of overall computational performance and numerical calculations and to shorten the gap between simulation results and actual production, this study integrated a perfectly matched layer (PML), perfectly reflecting boundary (PRB), object meshing method (OMM), and boundary meshing method (BMM) into the finite element method (FEM) and eigenmode expansion method (EEM). The integrated method enables designers to easily and flexibly design optical fiber communication systems that conform to the specific spectral characteristic by using the simulation data in this paper, which includes bandwidth, number of channels, and band gap size.

  1. Using Finite Element and Eigenmode Expansion Methods to Investigate the Periodic and Spectral Characteristic of Superstructure Fiber Bragg Gratings

    Directory of Open Access Journals (Sweden)

    Yue-Jing He

    2016-02-01

    Full Text Available In this study, a numerical simulation method was employed to investigate and analyze superstructure fiber Bragg gratings (SFBGs with five duty cycles (50%, 33.33%, 14.28%, 12.5%, and 10%. This study focuses on demonstrating the relevance between design period and spectral characteristics of SFBGs (in the form of graphics for SFBGs of all duty cycles. Compared with complicated and hard-to-learn conventional coupled-mode theory, the result of the present study may assist beginner and expert designers in understanding the basic application aspects, optical characteristics, and design techniques of SFBGs, thereby indirectly lowering the physical concepts and mathematical skills required for entering the design field. To effectively improve the accuracy of overall computational performance and numerical calculations and to shorten the gap between simulation results and actual production, this study integrated a perfectly matched layer (PML, perfectly reflecting boundary (PRB, object meshing method (OMM, and boundary meshing method (BMM into the finite element method (FEM and eigenmode expansion method (EEM. The integrated method enables designers to easily and flexibly design optical fiber communication systems that conform to the specific spectral characteristic by using the simulation data in this paper, which includes bandwidth, number of channels, and band gap size.

  2. Time-dependent algorithms for the simulation of viscoelastic flows with spectral element methods: applications and stability

    International Nuclear Information System (INIS)

    Fietier, Nicolas; Deville, Michel O.

    2003-01-01

    This paper presents the development of spectral element methods to simulate unsteady flows of viscoelastic fluids using a closed-form differential constitutive equation. The generation and decay Poiseuille planar flows are considered as benchmark problems to test the abilities of our computational method to deal with truly time-dependent flows. Satisfactory results converging toward steady-state regimes have been obtained for the flow through a four-to-one planar abrupt contraction with unsteady algorithms. Time-dependent simulations of viscoelastic flows are prone to numerical instabilities even for simple geometrical configurations. Possible methods to improve the numerical stability of the computational algorithms are discussed in view of the results carried out with numerical simulations for the flows through a straight channel and the four-to-one contraction

  3. Spectral element boundary integral method with periodic layered medium dyadic Green's function for multiscale nano-optical scattering analysis.

    Science.gov (United States)

    Niu, Jun; Ren, Yi; Liu, Qing Huo

    2017-10-02

    In this work, we propose a numerical solver combining the spectral element - boundary integral (SEBI) method with the periodic layered medium dyadic Green's function. The periodic layered medium dyadic Green's function is formulated under matrix representation. The surface integral equations (SIEs) are then implemented as the radiation boundary condition to truncate the top and bottom computation domain. After describing the interior computation domain with the vector wave equations, and treating the lateral boundaries with Bloch periodic boundary conditions, the whole computation domains are discretized with mixed-order Gauss- Lobatto-Legendre basis functions in the SEBI method. This method avoids the discretization of the top and bottom layered media, so it can be much more efficient than conventional methods. Numerical results validate the proposed solver with fast convergence throughout the whole computation domain and good performance for typical multiscale nano-optical applications.

  4. Analytical reconstruction schemes for coarse-mesh spectral nodal solution of slab-geometry SN transport problems

    International Nuclear Information System (INIS)

    Barros, R. C.; Filho, H. A.; Platt, G. M.; Oliveira, F. B. S.; Militao, D. S.

    2009-01-01

    Coarse-mesh numerical methods are very efficient in the sense that they generate accurate results in short computational time, as the number of floating point operations generally decrease, as a result of the reduced number of mesh points. On the other hand, they generate numerical solutions that do not give detailed information on the problem solution profile, as the grid points can be located considerably away from each other. In this paper we describe two analytical reconstruction schemes for the coarse-mesh solution generated by the spectral nodal method for neutral particle discrete ordinates (S N ) transport model in slab geometry. The first scheme we describe is based on the analytical reconstruction of the coarse-mesh solution within each discretization cell of the spatial grid set up on the slab. The second scheme is based on the angular reconstruction of the discrete ordinates solution between two contiguous ordinates of the angular quadrature set used in the S N model. Numerical results are given so we can illustrate the accuracy of the two reconstruction schemes, as described in this paper. (authors)

  5. Benzimidazole acrylonitriles as multifunctional push-pull chromophores: Spectral characterisation, protonation equilibria and nanoaggregation in aqueous solutions

    Science.gov (United States)

    Horak, Ema; Vianello, Robert; Hranjec, Marijana; Krištafor, Svjetlana; Zamola, Grace Karminski; Steinberg, Ivana Murković

    2017-05-01

    Heterocyclic donor-π-acceptor molecular systems based on an N,N-dimethylamino phenylacrylonitrile benzimidazole skeleton have been characterised and are proposed for potential use in sensing applications. The benzimidazole moiety introduces a broad spectrum of useful multifunctional properties to the system including electron accepting ability, pH sensitivity and compatibility with biomolecules. The photophysical characterisation of the prototropic forms of these chromophores has been carried out in both solution and on immobilisation in polymer films. The experimental results are further supported by computational determination of pKa values. It is noticed that compound 3 forms nanoaggregates in aqueous solutions with aggregation-induced emission (AIE) at 600 nm. All the systems demonstrate spectral pH sensitivity in acidic media which shifts towards near-neutral values upon immobilisation in polymer films or upon aggregation in an aqueous environment (compound 3). The structure-property relationships of these functional chromophores, involving their spectral characteristics, acid-base equilibria, pKa values and aggregation effects have been determined. Potential applications of the molecules as pH and biomolecular sensors are proposed based on their pH sensitivity and AIE properties.

  6. Spatial-spectral flexible optical networking: enabling switching solutions for a simplified and efficient SDM network platform

    Science.gov (United States)

    Tomkos, I.; Zakynthinos, P.; Klonidis, D.; Marom, D.; Sygletos, S.; Ellis, A.; Salvadori, E.; Siracusa, D.; Angelou, M.; Papastergiou, G.; Psaila, N.; Ferran, J. F.; Ben-Ezra, S.; Jimenez, F.; Fernández-Palacios, J. P.

    2013-12-01

    The traffic carried by core optical networks grows at a steady but remarkable pace of 30-40% year-over-year. Optical transmissions and networking advancements continue to satisfy the traffic requirements by delivering the content over the network infrastructure in a cost and energy efficient manner. Such core optical networks serve the information traffic demands in a dynamic way, in response to requirements for shifting of traffics demands, both temporally (day/night) and spatially (business district/residential). However as we are approaching fundamental spectral efficiency limits of singlemode fibers, the scientific community is pursuing recently the development of an innovative, all-optical network architecture introducing the spatial degree of freedom when designing/operating future transport networks. Spacedivision- multiplexing through the use of bundled single mode fibers, and/or multi-core fibers and/or few-mode fibers can offer up to 100-fold capacity increase in future optical networks. The EU INSPACE project is working on the development of a complete spatial-spectral flexible optical networking solution, offering the network ultra-high capacity, flexibility and energy efficiency required to meet the challenges of delivering exponentially growing traffic demands in the internet over the next twenty years. In this paper we will present the motivation and main research activities of the INSPACE consortium towards the realization of the overall project solution.

  7. MAPVAR - A Computer Program to Transfer Solution Data Between Finite Element Meshes

    Energy Technology Data Exchange (ETDEWEB)

    Wellman, G.W.

    1999-03-01

    MAPVAR, as was the case with its precursor programs, MERLIN and MERLIN II, is designed to transfer solution results from one finite element mesh to another. MAPVAR draws heavily from the structure and coding of MERLIN II, but it employs a new finite element data base, EXODUS II, and offers enhanced speed and new capabilities not available in MERLIN II. In keeping with the MERLIN II documentation, the computational algorithms used in MAPVAR are described. User instructions are presented. Example problems are included to demonstrate the operation of the code and the effects of various input options.

  8. A finite element solution algorithm for the Navier-Stokes equations

    Science.gov (United States)

    Baker, A. J.

    1974-01-01

    A finite element solution algorithm is established for the two-dimensional Navier-Stokes equations governing the steady-state kinematics and thermodynamics of a variable viscosity, compressible multiple-species fluid. For an incompressible fluid, the motion may be transient as well. The primitive dependent variables are replaced by a vorticity-streamfunction description valid in domains spanned by rectangular, cylindrical and spherical coordinate systems. Use of derived variables provides a uniformly elliptic partial differential equation description for the Navier-Stokes system, and for which the finite element algorithm is established. Explicit non-linearity is accepted by the theory, since no psuedo-variational principles are employed, and there is no requirement for either computational mesh or solution domain closure regularity. Boundary condition constraints on the normal flux and tangential distribution of all computational variables, as well as velocity, are routinely piecewise enforceable on domain closure segments arbitrarily oriented with respect to a global reference frame.

  9. A coupled boundary element-finite difference solution of the elliptic modified mild slope equation

    DEFF Research Database (Denmark)

    Naserizadeh, R.; Bingham, Harry B.; Noorzad, A.

    2011-01-01

    The modified mild slope equation of [5] is solved using a combination of the boundary element method (BEM) and the finite difference method (FDM). The exterior domain of constant depth and infinite horizontal extent is solved by a BEM using linear or quadratic elements. The interior domain...... with variable depth is solved by a flexible order of accuracy FDM in boundary-fitted curvilinear coordinates. The two solutions are matched along the common boundary of two methods (the BEM boundary) to ensure continuity of value and normal flux. Convergence of the individual methods is shown and the combined...... solution is tested against several test cases. Results for refraction and diffraction of waves from submerged bottom mounted obstacles compare well with experimental measurements and other computed results from the literature....

  10. Applications of the Method of Space-Time Conservation Element and the Solution Element to Unsteady Chemically Reactive Flows

    Science.gov (United States)

    Yu, Sheng-Tao

    2001-01-01

    This document reports the conclusion and findings of our research activities for this grant. The goal of the project is the development and application of the method of Space-Time Conservation Element and Solution Element, or the CE/SE method, to simulate chemically reacting flows. The product of this project will be a high-fidelity, time-accurate flow solver analyzing unsteady flow fields advanced propulsion concepts, including the low-emission turbojet engine combustion and flow fields of the Pulse Detonation Engines (PDE). Based on the documents and computer software of the CE/SE method that we have received from the CE/SE working group at NASA Lewis, we have focused our research effort on addressing outstanding technical issues related to the extension of the CE/SE method for unsteady, chemically reactive flows. In particular, we have made progresses in the following three aspects: (1) Derivation of the governing equations for reacting flows; (2) Numerical treatments of stiff source terms; and (3) Detailed simulations of ZND detonation waves.

  11. Application of the Space-Time Conservation Element and Solution Element Method to One-Dimensional Convection-Diffusion Problems

    Science.gov (United States)

    Chang, Sin-Chung; Wang, Xiao-Yen; To, Wai-Ming

    2000-01-01

    In the space-time conservation element and solution element (CE/SE) method, the independent marching variables used comprise not only the mesh value of the physical dependent variables but also, in contrast to it typical numerical method, the Mesh values of the spatial derivatives of the physical variables The use of the extra marching variables results from the need to construct the two-level explicit and nondissipative schemes which are at the core of the CE/SE development. It also results from the need to minimize the stencil while maintaining accuracy. In this paper using the 1D(sub (alpha)-mu) scheme as an example, the effect of this added complication on consistency, accuracy and operation count is assessed. As part of this effort, an equivalent yet more efficient form of the alpha-mu scheme in which the independent marching variables are the local fluxes tied to each mesh point is introduced. Also, the intriguing relations that exist among the alpha-mu. Leapfrog, and DuFort-Frankel schemes are further explored. In addition, the redundance of the Leapfrog, DUFort-Frankel, and Lax scheme and the remedy for this redundance are discussed. This paper is concluded with the construction and evaluation of a CE/SE solver for the inviscid Burger equation.

  12. Temporal dissolution of potentially toxic elements from silver smelting slag by synthetic environmental solutions.

    Science.gov (United States)

    Ash, Christopher; Borůvka, Luboš; Tejnecký, Václav; Šebek, Ondřej; Nikodem, Antonín; Drábek, Ondřej

    2013-11-15

    Waste slag which is created during precious metal smelting contains high levels of potentially toxic elements (PTE) which can be mobilised from unconfined deposits into the local environment. This paper examines the extractability of selected PTE (Pb, Zn, Cd, Mn) from slag samples by synthetic solutions designed to replicate those in the environment. Extracting agents were used to replicate potential leaching scenarios which are analogous to natural chemical weathering. Slag was submersed in a rainwater simulation solution (RSS), weak citric acid solution (representing rhizosphere secretions) and control solutions (deionised water) for a one month period with solution analyses made at intervals of 1, 24, 168 and 720 h. In 1 mM citric acid, dissolution of Cd and Zn showed little change with time, although for Zn the initial dissolution was considerable. Lead in citric acid was characterized by overall poor extractability. Mn solubility increased until an equilibrium state occurred within 24 h. The solubility of studied metals in citric acid can be characterized by a short time to equilibrium. RSS proved to be an effective solvent that, unlike citric acid solution, extracted increasing concentrations of Cd, Mn and Zn with time. Solubility of Pb in RSS was again very low. When taken as a proportion of a single 2 M HNO3 extraction which was applied to slag samples, Cd was the element most readily leached into RSS and control samples. In both studied solvents, slag heterogeneity is prominent in the case of Cd and Zn solubility. Contact time with solvent appears to be an important variable for the release of PTE from slag into solution. The purpose of this study was to provide insight into the environmental chemical dissolution of PTE from slag, which causes their enrichment in surrounding soils and surface waters. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Solid phases and solution species of different elements in geologic environments

    Energy Technology Data Exchange (ETDEWEB)

    Rai, D.; Serne, R.J.

    1978-03-01

    An investigation was conducted to predict from thermodynamic data the nature of the solid phases and solution species in various weathering environments of different elements (Am, Sb, Ce, Cs, Co, Cm, Eu, I, Np, Pu, Pm, Ra, Ru, Sr, Tc, T, U, and Zr) that are present in radioactive wastes, to predict the degree of adsorption of different elements by the solid matrices and to compare these predictions with observed results, and to determine the influence of different factors (such as Ph, Eh, complexing ligands) on total pore-water concentration and the nature of solution species of selected elements. Based on the nature of the predominant solution species, qualitative predictions regarding the adsorption and movement of various elements can be made. Soils and sediments mainly show cation exchange capacities (since these materials carry a large net negative charge) and to a limited extent, anion exchange capacities. Thus, most cations migrate through the soil or rock column at speeds slower than the groundwater. Relative to each other, the trivalent cations generally move the slowest, the divalent cations at intermediate velocities and the monovalent cations most rapidly. Tritium is unique in that it readily substitutes for hydrogen in water and migrates, therefore, at the same velocity as water. The simple anions tend to migrate through soils and rocks with little reaction because usually a pH of less than 4 is required to activate a significant soil anion exchange capacity. The migration and retention of inorganic complex species (mononuclear and polynuclear) would also be dependent upon the charge and size of the species. The behavior of organic complexed species of elements is difficult to predict because of the lack of knowledge regarding the exact nature of the organic ligands, a wide variation in amounts and types of organic ligands, and the size and solubility of these organics.

  14. Finite-element solution of the Schroedinger equation for the helium ground state

    International Nuclear Information System (INIS)

    Levin, F.S.; Shertzer, J.

    1985-01-01

    The finite-element method has been used to obtain numerical solutions to the Schroedinger equation for the ground state of the helium atom. In contrast to the globally defined trial functions of the standard variational approach, the finite-element algorithm employs locally defined interpolation functions to approximate the unknown wave function. The calculation reported herein used a three-dimensional grid containing nine nodal points along the radial coordinates of the two electrons and four nodal points along the direction corresponding to the cosine of the interelectronic angle. This produced an energy of -2.9032 a.u., which lies 0.017% above the Frankowski-Pekeris value. The values of , for n = -2,-1, 1, and 2, are closer to those of Frankowski and Pekeris than from all of the variational calculations with the exception of the calculation performed by Weiss, whose energy and values are comparable to those of the finite-element computation

  15. Changes in pigment, spectral transmission and element content of pink chicken eggshells with different pigment intensity during incubation.

    Science.gov (United States)

    Yu, Yue; Li, Zhanming; Pan, Jinming

    2016-01-01

    Objective. The objective of this study was to investigate changes in pigment, spectral transmission and element content of chicken eggshells with different intensities of pink pigment during the incubation period. We also investigated the effects of the region (small pole, equator and large pole) and pink pigment intensity of the chicken eggshell on the percent transmission of light passing through the chicken eggshells. Method. Eggs of comparable weight from a meat-type breeder (Meihuang) were used, and divided based on three levels of pink pigment (light, medium and dark) in the eggshells. During the incubation (0-21 d), the values of the eggshell pigment (ΔE, L (∗), a (∗), b (∗)) were measured. The percent transmission of light for different regions and intensities of eggshell pigmentation was measured by using the visible wavelength range of 380-780 nm. Result. Three measured indicators of eggshell color, ΔE, L (∗) and a (∗), did not change significantly during incubation. Compared with other regions and pigment intensities, eggshell at the small pole and with light pigmentation intensity showed the highest percent transmission of light. The transmission value varied significantly (P pink pigment showed that the potassium content of the eggshells for all pigment levels decreased significantly during incubation. Conclusion. In summary, pigment intensity and the region of the eggshell influenced the percent transmission of light of eggshell. Differences in the spectral characteristics of different eggshells may influence the effects of photostimulation during the incubation of eggs. All of these results will be applicable for perfecting the design of light intensity for lighted incubation to improve productivity.

  16. Spectrally resolved efficiencies of carbon monoxide (CO photoproduction in the western Canadian Arctic: particles versus solutes

    Directory of Open Access Journals (Sweden)

    G. Song

    2013-06-01

    Full Text Available Spectrally resolved efficiency (i.e. apparent quantum yield, AQY of carbon monoxide (CO photoproduction is a useful indicator of substrate photoreactivity and a crucial parameter for modeling CO photoproduction rates in the water column. Recent evidence has suggested that CO photoproduction from particles in marine waters is significant compared to the well-known CO production from chromophoric dissolved organic matter (CDOM photodegradation. Although CDOM-based CO AQY spectra have been extensively determined, little is known of this information on the particulate phase. Using water samples collected from the Mackenzie estuary, shelf, and Canada Basin in the southeastern Beaufort Sea, the present study for the first time quantified the AQY spectra of particle-based CO photoproduction and compared them with the concomitantly determined CDOM-based CO AQY spectra. CO AQYs of both particles and CDOM decreased with wavelength but the spectral shape of the particulate AQY was flatter in the visible regime. This feature resulted in a disproportionally higher visible light-driven CO production by particles, thereby increasing the ratio of particle- to CDOM-based CO photoproduction with depth in the euphotic zone. In terms of depth-integrated production in the euphotic zone, CO formation from CDOM was dominated by the ultraviolet (UV, 290–400 nm radiation whereas UV and visible light played roughly equal roles in CO production from particles. Spatially, CO AQY of bulk particulate matter (i.e. the sum of organics and inorganics augmented from the estuary and shelf to the basin while CO AQY of CDOM trended inversely. Water from the deep chlorophyll maximum layer revealed higher CO AQYs than did surface water for both particles and CDOM. CO AQY of bulk particulate matter exceeded that of CDOM on the shelf and in the basin, but the sequence reversed in the estuary. Without consideration of the potential role of metal oxides (e.g. iron oxides in particle

  17. THE CONSTRUCTIVE SOLUTION AND CALCULATION OF ELEMENTS OF THE UNIFIED MODULE OF THE MOBILE BRIDGE OVERCROSSING

    Directory of Open Access Journals (Sweden)

    Adil KADYROV

    2017-09-01

    Full Text Available In the article the construction of a modular mobile overcrossing is offered. Calculation of its constructive elements is performed and the optimum length of one module is determined. The purpose is the development of the technique and calculation for the new construction of a mobile bridge overcrossing intended for reduction of traffic jams. Methods: The methods uses are mathematical analysis, method of finite elements, method of finite differences, and analytical method of relocation. Dependencies for determination of the optimum length of the module of bridge overcrossing are identified. The calculation of the constructive-orthotropic plate for the carriageway of the bridge overcrossing using numerical methods of finite differences and finite elements is performed; the reliability of results is confirmed with coincidence of deflection values. The solution matrix of the method of finite differences developed in this work allows calculation of arbitrary plates with a wide variety of geometrical sizes, and also for different values of flexural stiffness properties of the plate and reinforcing elements. The calculation of the spatial frame of the bridge overcrossing is performed by the precise analytical method of relocation taking into account the bend and torsion of its elements.

  18. Elastic-Plastic J-Integral Solutions or Surface Cracks in Tension Using an Interpolation Methodology. Appendix C -- Finite Element Models Solution Database File, Appendix D -- Benchmark Finite Element Models Solution Database File

    Science.gov (United States)

    Allen, Phillip A.; Wells, Douglas N.

    2013-01-01

    No closed form solutions exist for the elastic-plastic J-integral for surface cracks due to the nonlinear, three-dimensional nature of the problem. Traditionally, each surface crack must be analyzed with a unique and time-consuming nonlinear finite element analysis. To overcome this shortcoming, the authors have developed and analyzed an array of 600 3D nonlinear finite element models for surface cracks in flat plates under tension loading. The solution space covers a wide range of crack shapes and depths (shape: 0.2 less than or equal to a/c less than or equal to 1, depth: 0.2 less than or equal to a/B less than or equal to 0.8) and material flow properties (elastic modulus-to-yield ratio: 100 less than or equal to E/ys less than or equal to 1,000, and hardening: 3 less than or equal to n less than or equal to 20). The authors have developed a methodology for interpolating between the goemetric and material property variables that allows the user to reliably evaluate the full elastic-plastic J-integral and force versus crack mouth opening displacement solution; thus, a solution can be obtained very rapidly by users without elastic-plastic fracture mechanics modeling experience. Complete solutions for the 600 models and 25 additional benchmark models are provided in tabular format.

  19. Bioaccumulation of uranium and thorium from the solution containing both elements using various microorganisms

    Energy Technology Data Exchange (ETDEWEB)

    Tsuruta, T. [Department of Applied Chemistry, Tohwa University, 1-1-1 Chikushigaoka, Fukuoka 815-8510 (Japan)]. E-mail: ttsuruta@tohwa-u.ac.jp

    2006-02-09

    The effects of proton, thorium and uranium on the bioaccumulation of thorium and uranium from the solution (pH 3.5) containing uranium and thorium using Streptomyces levoris cells were examined. The amount of thorium accumulated using the cells decreased by the pre-contact between the cells and the solution (pH 3.5) containing no metals, whereas that of uranium was almost unaffected by the treatment. The amount of thorium was almost unaffected by the existence of uranium. On the other hand, the amount of uranium accumulated was strongly affected by the thorium, especially thorium addition after uranium accumulation. The decrease of uranium accumulated by the addition of thorium after the accumulation of uranium was higher than that from the solution containing both elements. Therefore, the contribution of uranium-thorium exchange reaction was higher than that of competition reaction. Accordingly, proton-uranium-thorium exchange reaction was occurred in the accumulation of thorium from the solution containing thorium and uranium. The gram-positive bacteria, such as Micrococcus luteus, Arthrobacter nicotianae, Bacillus subtilis and B. megaterium, has a much higher separation factor as thorium/uranium than that of actinomycetes. These gram-positive bacterial strains can be used for the accumulation of thorium from the solution containing uranium and thorium.

  20. RegSEM: a versatile code based on the spectral element method to compute seismic wave propagation at the regional scale

    Science.gov (United States)

    Cupillard, Paul; Delavaud, Elise; Burgos, Gaël.; Festa, Geatano; Vilotte, Jean-Pierre; Capdeville, Yann; Montagner, Jean-Paul

    2012-03-01

    The spectral element method, which provides an accurate solution of the elastodynamic problem in heterogeneous media, is implemented in a code, called RegSEM, to compute seismic wave propagation at the regional scale. By regional scale we here mean distances ranging from about 1 km (local scale) to 90° (continental scale). The advantage of RegSEM resides in its ability to accurately take into account 3-D discontinuities such as the sediment-rock interface and the Moho. For this purpose, one version of the code handles local unstructured meshes and another version manages continental structured meshes. The wave equation can be solved in any velocity model, including anisotropy and intrinsic attenuation in the continental version. To validate the code, results from RegSEM are compared to analytical and semi-analytical solutions available in simple cases (e.g. explosion in PREM, plane wave in a hemispherical basin). In addition, realistic simulations of an earthquake in different tomographic models of Europe are performed. All these simulations show the great flexibility of the code and point out the large influence of the shallow layers on the propagation of seismic waves at the regional scale. RegSEM is written in Fortran 90 but it also contains a couple of C routines. It is an open-source software which runs on distributed memory architectures. It can give rise to interesting applications, such as testing regional tomographic models, developing tomography using either passive (i.e. noise correlations) or active (i.e. earthquakes) data, or improving our knowledge on effects linked with sedimentary basins.

  1. New Developments in the Method of Space-Time Conservation Element and Solution Element-Applications to Two-Dimensional Time-Marching Problems

    Science.gov (United States)

    Chang, Sin-Chung; Wang, Xiao-Yen; Chow, Chuen-Yen

    1994-01-01

    A new numerical discretization method for solving conservation laws is being developed. This new approach differs substantially in both concept and methodology from the well-established methods, i.e., finite difference, finite volume, finite element, and spectral methods. It is motivated by several important physical/numerical considerations and designed to avoid several key limitations of the above traditional methods. As a result of the above considerations, a set of key principles for the design of numerical schemes was put forth in a previous report. These principles were used to construct several numerical schemes that model a 1-D time-dependent convection-diffusion equation. These schemes were then extended to solve the time-dependent Euler and Navier-Stokes equations of a perfect gas. It was shown that the above schemes compared favorably with the traditional schemes in simplicity, generality, and accuracy. In this report, the 2-D versions of the above schemes, except the Navier-Stokes solver, are constructed using the same set of design principles. Their constructions are simplified greatly by the use of a nontraditional space-time mesh. Its use results in the simplest stencil possible, i.e., a tetrahedron in a 3-D space-time with a vertex at the upper time level and other three at the lower time level. Because of the similarity in their design, each of the present 2-D solvers virtually shares with its 1-D counterpart the same fundamental characteristics. Moreover, it is shown that the present Euler solver is capable of generating highly accurate solutions for a famous 2-D shock reflection problem. Specifically, both the incident and the reflected shocks can be resolved by a single data point without the presence of numerical oscillations near the discontinuity.

  2. Finite element simulation of moisture movement and solute transport in a large caisson

    International Nuclear Information System (INIS)

    Huyakorn, P.S.; Jones, B.G.; Parker, J.C.; Wadsworth, T.D.; White, H.O. Jr.

    1987-01-01

    The results of the solute transport experiments performed on compacted, crushed Bandelier Tuff in caisson B of the experimental cluster described by DePoorter (1981) are simulated. Both one- and three-dimensional simulations of solute transport have been performed using two selected finite element codes. Results of bromide and iodide tracer experiments conducted during near-steady flow conditions have been analyzed for pulse additions made on December 6, 1984, and followed over a period of up to 60 days. In addition, a pulse addition of nonconservative strontium tracer on September 28, 1984, during questionably steady flow conditions has been analyzed over a period of 240 days. One-dimensional finite element flow and transport simulations were carried out assuming the porous medium to be homogeneous and the injection source uniformly distributed. To evaluate effects of the nonuniform source distribution and also to investigate effects of inhomogeneous porous medium properties, three dimensional finite element analyses of transport were carried out. Implications of the three-dimensional effects for the design and analysis of future tracer studies are discussed

  3. A Hybrid Finite Element-Fourier Spectral Method for Vibration Analysis of Structures with Elastic Boundary Conditions

    Directory of Open Access Journals (Sweden)

    Wan-You Li

    2014-01-01

    Full Text Available A novel hybrid method, which simultaneously possesses the efficiency of Fourier spectral method (FSM and the applicability of the finite element method (FEM, is presented for the vibration analysis of structures with elastic boundary conditions. The FSM, as one type of analytical approaches with excellent convergence and accuracy, is mainly limited to problems with relatively regular geometry. The purpose of the current study is to extend the FSM to problems with irregular geometry via the FEM and attempt to take full advantage of the FSM and the conventional FEM for structural vibration problems. The computational domain of general shape is divided into several subdomains firstly, some of which are represented by the FSM while the rest by the FEM. Then, fictitious springs are introduced for connecting these subdomains. Sufficient details are given to describe the development of such a hybrid method. Numerical examples of a one-dimensional Euler-Bernoulli beam and a two-dimensional rectangular plate show that the present method has good accuracy and efficiency. Further, one irregular-shaped plate which consists of one rectangular plate and one semi-circular plate also demonstrates the capability of the present method applied to irregular structures.

  4. Adaptive-spectral method of monitoring and diagnostic observability of static stresses of elements of mechanical constructions

    Science.gov (United States)

    Sedov, A. V.; Kalinchuk, V. V.; Bocharova, O. V.

    2017-10-01

    The evaluation of static stresses and strength of units and components is a crucial task for increasing reliability in the operation of vehicles and equipment, to prevent emergencies, especially in structures made of metal and composite materials. At the stage of creation and commissioning of structures to control the quality of manufacturing of individual elements and components, diagnostic control methods are widely used. They are acoustic, ultrasonic, X-ray, radiation methods and others. The using of these methods to control the residual life and the degree of static stresses of units and parts during operation is fraught with great difficulties both in methodology and in instrumentation. In this paper, the authors propose an effective method of operative control of the degree of static stresses of units and parts of mechanical structures which are in working condition, based on recording the changing in the surface wave properties of a system consisting of a sensor and a controlled environment (unit, part). The proposed method of low-frequency diagnostics of static stresses presupposes adaptive-spectral decomposition analysis of a surface wave created by external action (impact).

  5. Finite element method solution of simplified P3 equation for flexible geometry handling

    International Nuclear Information System (INIS)

    Ryu, Eun Hyun; Joo, Han Gyu

    2011-01-01

    In order to obtain efficiently core flux solutions which would be much closer to the transport solution than the diffusion solution is, not being limited by the geometry of the core, the simplified P 3 (SP 3 ) equation is solved with the finite element method (FEM). A generic mesh generator, GMSH, is used to generate linear and quadratic mesh data. The linear system resulting from the SP 3 FEM discretization is solved by Krylov subspace methods (KSM). A symmetric form of the SP 3 equation is derived to apply the conjugate gradient method rather than the KSMs for nonsymmetric linear systems. An optional iso-parametric quadratic mapping scheme, which is to selectively model nonlinear shapes with a quadratic mapping to prevent significant mismatch in local domain volume, is also implemented for efficient application of arbitrary geometry handling. The gain in the accuracy attainable by the SP 3 solution over the diffusion solution is assessed by solving numerous benchmark problems having various core geometries including the IAEA PWR problems involving rectangular fuels and the Takeda fast reactor problems involving hexagonal fuels. The reference transport solution is produced by the McCARD Monte Carlo code and the multiplication factor and power distribution errors are assessed. In addition, the effect of quadratic mapping is examined for circular cell problems. It is shown that significant accuracy gain is possible with the SP 3 solution for the fast reactor problems whereas only marginal improvement is noted for thermal reactor problems. The quadratic mapping is also quite effective handling geometries with curvature. (author)

  6. Use of cationites for separation of transplutonium elements from other elements from aqueous and aqua-alcohol solutions of hydrochloric and nitric acids

    International Nuclear Information System (INIS)

    Guseva, L.I.; Tikhomirova, G.S.

    1984-01-01

    The behaviour of Am, Cm, Pu and certain fragment elements (Cs, Sr, Y, Zr, Nb, Ru, Eu) on cationite dauex-50 in aqueous and aqueous-alcohol solutions of HCl and HNO 3 has been studied. Dependences of distribution coefficients and separation factors of the elements on the acid concentration and alcohol content in the solutions are presented. The sorption of TPE by cationite from HCl and HNO 3 solutions in the presence of alcohol is shown to increase over the range of concentrations studied (from 0.5 mol/L to 4-5 mol/L), which is explained by the salting-out effect of alcohol. The distribution coefficients of TPE in the solutions, containing >= 50% alcohol, constitute >= 10 2 . The distribution coefficients of the fragment elements in the presence of alcohol also increase, but to a considerably lesser extent, which results in a better separation. The study of the washing-out curves has shown that, to separate TPE from fragment elements on cationites, both HCl and HNO 3 solutions can be used, at that, in the case of aqueous solutions a better separation is attained at acid concentration, equal to 1 mol/L, and in the case of eluating by aqueous-alcohol solutions a good separation is achieved at hig-her concentrations of the acids as well

  7. A finite element formulation of Euler equations for the solution of steady transonic flows

    Science.gov (United States)

    Ecer, A.; Akay, H. U.

    1982-01-01

    The main objective of the considered investigation is related to the development of a relaxation scheme for the analysis of inviscid, rotational, transonic flow problems. To formulate the equations of motion for inviscid flows in a fixed coordinate system, an Eulerian type variational principle is required. The derivation of an Eulerian variational principle which is employed in the finite element formulation is discussed. The presented numerical method describes the mathematical formulation and the application of a numerical process for the direct solution of steady Euler equations. The development of the procedure as an extension of existing potential flow formulations provides the applicability of previous procedures, e.g., proper application of the artificial viscosity for supersonic elements, and the accurate modeling of the shock.

  8. Matrix equation decomposition and parallel solution of systems resulting from unstructured finite element problems in electromagnetics

    Energy Technology Data Exchange (ETDEWEB)

    Cwik, T. [California Institute of Technology, Pasadena, CA (United States); Katz, D.S. [Cray Research, El Segundo, CA (United States)

    1996-12-31

    Finite element modeling has proven useful for accurately simulating scattered or radiated electromagnetic fields from complex three-dimensional objects whose geometry varies on the scale of a fraction of an electrical wavelength. An unstructured finite element model of realistic objects leads to a large, sparse, system of equations that needs to be solved efficiently with regard to machine memory and execution time. Both factorization and iterative solvers can be used to produce solutions to these systems of equations. Factorization leads to high memory requirements that limit the electrical problem size of three-dimensional objects that can be modeled. An iterative solver can be used to efficiently solve the system without excessive memory use and in a minimal amount of time if the convergence rate is controlled.

  9. Solution-state NMR spectroscopy of famotidine revisited: spectral assignment, protonation sites, and their structural consequences.

    Science.gov (United States)

    Marosi, Attila; Szalay, Zsófia; Béni, Szabolcs; Szakács, Zoltán; Gáti, Tamás; Rácz, Ákos; Noszál, Béla; Demeter, Ádám

    2012-02-01

    Multinuclear one (1D-) and two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopic investigations of famotidine, the most potent and widely used histamine H(2)-receptor antagonist, were carried out in dimethyl sulfoxide-d(6) (DMSO-d(6)) and water. Previous NMR assignments were either incomplete or full assignment was based only on 1D spectra and quantum-chemical calculations. Our work revealed several literature misassignments of the (1)H, (13)C, and (15)N NMR signals and clarified the acid-base properties of the compound at the site-specific level. The erroneous assignment of Baranska et al. (J. Mol. Struct. 2001, 563) probably originates from an incorrect hypothesis about the major conformation of famotidine in DMSO-d(6). A folded conformation similar to that observed in the solid-state was also assumed in solution, stabilized by an intramolecular hydrogen bond involving one of the sulphonamide NH(2) protons and the thiazole nitrogen. Our detailed 1D and 2D NMR experiments enabled complete ab initio (1)H, (13)C, and (15)N assignments and disproved the existence of the sulphonamide NH hydrogen bond in the major conformer. Rather, the molecule is predominantly present in an extended conformation in DMSO-d(6). The aqueous acid-base properties of famotidine were studied by 1D (1)H- and 2D (1)H/(13)C heteronuclear multiple-bond correlation (HMBC) NMR-pH titrations. The experiments identified its basic centers including a new protonation step at highly acidic conditions, which was also confirmed by titrations and quantum-chemical calculations on a model compound, 2-[4-(sulfanylmethyl)-1,3-thiazol-2-yl]guanidine. Famotidine is now proved to have four protonation steps in the following basicity order: the sulfonamidate anion protonates at pH = 11.3, followed by the protonation of the guanidine group at pH = 6.8, whereas, in strong acidic solutions, two overlapping protonation processes occur involving the amidine and thiazole moieties.

  10. Modeling in architectural-planning solutions of agrarian technoparks as elements of the infrastructure

    Science.gov (United States)

    Abdrassilova, Gulnara S.

    2017-09-01

    In the context of development of the agriculture as the driver of the economy of Kazakhstan it is imperative to study new types of agrarian constructions (agroparks, agrotourists complexes, "vertical" farms, conservatories, greenhouses) that can be combined into complexes - agrarian technoparks. Creation of agrarian technoparks as elements of the infrastructure of the agglomeration shall ensure the breakthrough in the field of agrarian goods production, storing and recycling. Modeling of architectural-planning solutions of agrarian technoparks supports development of the theory and practice of designing objects based on innovative approaches.

  11. Finite Element Solutions for the Space Fractional Diffusion Equation with a Nonlinear Source Term

    Directory of Open Access Journals (Sweden)

    Y. J. Choi

    2012-01-01

    Full Text Available We consider finite element Galerkin solutions for the space fractional diffusion equation with a nonlinear source term. Existence, stability, and order of convergence of approximate solutions for the backward Euler fully discrete scheme have been discussed as well as for the semidiscrete scheme. The analytical convergent orders are obtained as O(k+hγ˜, where γ˜ is a constant depending on the order of fractional derivative. Numerical computations are presented, which confirm the theoretical results when the equation has a linear source term. When the equation has a nonlinear source term, numerical results show that the diffusivity depends on the order of fractional derivative as we expect.

  12. The finite element solution of two-dimensional transverse magnetic scattering problems on the connection machine

    International Nuclear Information System (INIS)

    Hutchinson, S.; Costillo, S.; Dalton, K.; Hensel, E.

    1990-01-01

    A study is conducted of the finite element solution of the partial differential equations governing two-dimensional electromagnetic field scattering problems on a SIMD computer. A nodal assembly technique is introduced which maps a single node to a single processor. The physical domain is first discretized in parallel to yield the node locations of an O-grid mesh. Next, the system of equations is assembled and then solved in parallel using a conjugate gradient algorithm for complex-valued, non-symmetric, non-positive definite systems. Using this technique and Thinking Machines Corporation's Connection Machine-2 (CM-2), problems with more than 250k nodes are solved. Results of electromagnetic scattering, governed by the 2-d scalar Hemoholtz wave equations are presented in this paper. Solutions are demonstrated for a wide range of objects. A summary of performance data is given for the set of test problems

  13. Solidification of a binary alloy: Finite-element, single-domain simulation and new benchmark solutions

    Science.gov (United States)

    Le Bars, Michael; Worster, M. Grae

    2006-07-01

    A finite-element simulation of binary alloy solidification based on a single-domain formulation is presented and tested. Resolution of phase change is first checked by comparison with the analytical results of Worster [M.G. Worster, Solidification of an alloy from a cooled boundary, J. Fluid Mech. 167 (1986) 481-501] for purely diffusive solidification. Fluid dynamical processes without phase change are then tested by comparison with previous numerical studies of thermal convection in a pure fluid [G. de Vahl Davis, Natural convection of air in a square cavity: a bench mark numerical solution, Int. J. Numer. Meth. Fluids 3 (1983) 249-264; D.A. Mayne, A.S. Usmani, M. Crapper, h-adaptive finite element solution of high Rayleigh number thermally driven cavity problem, Int. J. Numer. Meth. Heat Fluid Flow 10 (2000) 598-615; D.C. Wan, B.S.V. Patnaik, G.W. Wei, A new benchmark quality solution for the buoyancy driven cavity by discrete singular convolution, Numer. Heat Transf. 40 (2001) 199-228], in a porous medium with a constant porosity [G. Lauriat, V. Prasad, Non-darcian effects on natural convection in a vertical porous enclosure, Int. J. Heat Mass Transf. 32 (1989) 2135-2148; P. Nithiarasu, K.N. Seetharamu, T. Sundararajan, Natural convective heat transfer in an enclosure filled with fluid saturated variable porosity medium, Int. J. Heat Mass Transf. 40 (1997) 3955-3967] and in a mixed liquid-porous medium with a spatially variable porosity [P. Nithiarasu, K.N. Seetharamu, T. Sundararajan, Natural convective heat transfer in an enclosure filled with fluid saturated variable porosity medium, Int. J. Heat Mass Transf. 40 (1997) 3955-3967; N. Zabaras, D. Samanta, A stabilized volume-averaging finite element method for flow in porous media and binary alloy solidification processes, Int. J. Numer. Meth. Eng. 60 (2004) 1103-1138]. Finally, new benchmark solutions for simultaneous flow through both fluid and porous domains and for convective solidification processes are

  14. Modeling the seismic response of 2D models of asteroid 433 Eros, based on the spectral-element method.

    Science.gov (United States)

    Blitz, Celine; Komatitsch, Dimitri; Lognonné, Philippe; Martin, Roland; Le Goff, Nicolas

    The understanding of the interior structure of Near Earth Objects (NEOs) is a fundamental issue to determine their evolution and origin, and also, to design possible mitigation techniques (Walker and Huebner, 2004). Indeed, if an oncoming Potentially Hazardous Object (PHO) were to threaten the Earth, numerous methods are suggested to prevent it from colliding our planet. Such mitigation techniques may involve nuclear explosives on or below the object surface, impact by a projectile, or concentration of solar energy using giant mirrors (Holsapple, 2004). The energy needed in such mitigation techniques highly depends on the porosity of the hazardous threatening object (asteroid or comet), as suggested by Holsapple, 2004. Thus, for a given source, the seismic response of a coherent homogeneous asteroid should be very different from the seismic response of a fractured or rubble-pile asteroid. To assess this hypothesis, we performed numerical simulations of wave propagation in different interior models of the Near Earth Asteroid 433 Eros. The simulations of wave propagation required a shape model of asteroid Eros, kindly provided by A. Cheng and O. Barnouin-Jha (personal communication). A cross-section along the longest axis has been chosen to define our 2D geometrical model, and we study two models of the interior: a homogeneous one, and a complex one characterized by fault networks below the main crosscut craters, and covered by a regolith layer of thickness ranging from 50 m to 150 m. To perform the numerical simulations we use the spectral-element method, which solves the variational weak form of the seismic wave equation (Komatitsch and Tromp, 1999) on the meshes of the 2D models of asteroid Eros. The homogeneous model is composed of an elastic material characterized by a pressure wave velocity Vp = 3000 m.s-1 , a shear wave velocity Vs = 1700 m.s-1 and a density of 2700 kg.m-3 . The fractured model possesses the same characteristics except for the presence of

  15. Spectral element modelling of seismic wave propagation in visco-elastoplastic media including excess-pore pressure development

    Science.gov (United States)

    Oral, Elif; Gélis, Céline; Bonilla, Luis Fabián; Delavaud, Elise

    2017-12-01

    Numerical modelling of seismic wave propagation, considering soil nonlinearity, has become a major topic in seismic hazard studies when strong shaking is involved under particular soil conditions. Indeed, when strong ground motion propagates in saturated soils, pore pressure is another important parameter to take into account when successive phases of contractive and dilatant soil behaviour are expected. Here, we model 1-D seismic wave propagation in linear and nonlinear media using the spectral element numerical method. The study uses a three-component (3C) nonlinear rheology and includes pore-pressure excess. The 1-D-3C model is used to study the 1987 Superstition Hills earthquake (ML 6.6), which was recorded at the Wildlife Refuge Liquefaction Array, USA. The data of this event present strong soil nonlinearity involving pore-pressure effects. The ground motion is numerically modelled for different assumptions on soil rheology and input motion (1C versus 3C), using the recorded borehole signals as input motion. The computed acceleration-time histories show low-frequency amplification and strong high-frequency damping due to the development of pore pressure in one of the soil layers. Furthermore, the soil is found to be more nonlinear and more dilatant under triaxial loading compared to the classical 1C analysis, and significant differences in surface displacements are observed between the 1C and 3C approaches. This study contributes to identify and understand the dominant phenomena occurring in superficial layers, depending on local soil properties and input motions, conditions relevant for site-specific studies.

  16. Solution behavior of hydrogen isotopes and other non-metallic elements in liquid lithium

    International Nuclear Information System (INIS)

    Maroni, V.A.; Calaway, W.F.; Veleckis, E.; Yonco, R.M.

    1976-01-01

    Results of experimental studies to measure selected thermodynamic properties for systems of lithium with non-metallic elements are reported. Investigations of the Li-H, Li-D, and Li-T systems have led to the elucidation of the dilute solution behavior and the H/D/T isotope effects. In the case of the Li-H and Li-D systems, the principal features of the respective phase diagrams have been delineated. The solubility of Li-D in liquid lithium has been measured down to 200 0 C. The solubility of Li 3 N in liquid lithium and the thermal decomposition of Li 3 N have also been studied. From these data, the free energy of formation of Li 3 N and the Sieverts' constant for dissolution of nitrogen in lithium have been determined. Based on studies of the distribution of non-metallic elements between liquid lithium and selected molten salts, it appears that molten salt extraction offers promise as a means of removing these impurity elements (e.g., H, D, T, O, N, C) from liquid lithium

  17. Solution of the diffusion equations for several groups by the finite elements method

    International Nuclear Information System (INIS)

    Arredondo S, C.

    1975-01-01

    The code DELFIN has been implemented for the solution of the neutrons diffusion equations in two dimensions obtained by applying the approximation of several groups of energy. The code works with any number of groups and regions, and can be applied to thermal reactors as well as fast reactor. Providing it with the diffusion coefficients, the effective sections and the fission spectrum we obtain the results for the systems multiplying constant and the flows of each groups. The code was established using the method of finite elements, which is a form of resolution of the variational formulation of the equations applying the Ritz-Galerkin method with continuous polynomial functions by parts, in one case of the Lagrange type with rectangular geometry and up to the third grade. The obtained results and the comparison with the results in the literature, permit to reach the conclusion that it is convenient, to use the rectangular elements in all the cases where the geometry permits it, and demonstrate also that the finite elements method is better than the finite differences method. (author)

  18. A finite-element reciprocity solution for EEG forward modeling with realistic individual head models.

    Science.gov (United States)

    Ziegler, Erik; Chellappa, Sarah L; Gaggioni, Giulia; Ly, Julien Q M; Vandewalle, Gilles; André, Elodie; Geuzaine, Christophe; Phillips, Christophe

    2014-12-01

    We present a finite element modeling (FEM) implementation for solving the forward problem in electroencephalography (EEG). The solution is based on Helmholtz's principle of reciprocity which allows for dramatically reduced computational time when constructing the leadfield matrix. The approach was validated using a 4-shell spherical model and shown to perform comparably with two current state-of-the-art alternatives (OpenMEEG for boundary element modeling and SimBio for finite element modeling). We applied the method to real human brain MRI data and created a model with five tissue types: white matter, gray matter, cerebrospinal fluid, skull, and scalp. By calculating conductivity tensors from diffusion-weighted MR images, we also demonstrate one of the main benefits of FEM: the ability to include anisotropic conductivities within the head model. Root-mean square deviation between the standard leadfield and the leadfield including white-matter anisotropy showed that ignoring the directional conductivity of white matter fiber tracts leads to orientation-specific errors in the forward model. Realistic head models are necessary for precise source localization in individuals. Our approach is fast, accurate, open-source and freely available online. Copyright © 2014 Elsevier Inc. All rights reserved.

  19. A spectral theory of continuous functions and the Loomis-Arendt-Batty-Vu theory on the asymptotic behavior of solutions of evolution equations

    Science.gov (United States)

    Nguyen, Van Minh

    In this paper we present a new approach to the spectral theory of non-uniformly continuous functions and a new framework for the Loomis-Arendt-Batty-Vu theory. Our approach is direct and free of C-semigroups, so the obtained results, that extend previous ones, can be applied to large classes of evolution equations and their solutions.

  20. Advances in the U.S. Navy Non-hydrostatic Unified Model of the Atmosphere (NUMA): LES as a Stabilization Methodology for High-Order Spectral Elements in the Simulation of Deep Convection

    Science.gov (United States)

    Marras, Simone; Giraldo, Frank

    2015-04-01

    The prediction of extreme weather sufficiently ahead of its occurrence impacts society as a whole and coastal communities specifically (e.g. Hurricane Sandy that impacted the eastern seaboard of the U.S. in the fall of 2012). With the final goal of solving hurricanes at very high resolution and numerical accuracy, we have been developing the Non-hydrostatic Unified Model of the Atmosphere (NUMA) to solve the Euler and Navier-Stokes equations by arbitrary high-order element-based Galerkin methods on massively parallel computers. NUMA is a unified model with respect to the following criteria: (a) it is based on unified numerics in that element-based Galerkin methods allow the user to choose between continuous (spectral elements, CG) or discontinuous Galerkin (DG) methods and from a large spectrum of time integrators, (b) it is unified across scales in that it can solve flow in limited-area mode (flow in a box) or in global mode (flow on the sphere). NUMA is the dynamical core that powers the U.S. Naval Research Laboratory's next-generation global weather prediction system NEPTUNE (Navy's Environmental Prediction sysTem Utilizing the NUMA corE). Because the solution of the Euler equations by high order methods is prone to instabilities that must be damped in some way, we approach the problem of stabilization via an adaptive Large Eddy Simulation (LES) scheme meant to treat such instabilities by modeling the sub-grid scale features of the flow. The novelty of our effort lies in the extension to high order spectral elements for low Mach number stratified flows of a method that was originally designed for low order, adaptive finite elements in the high Mach number regime [1]. The Euler equations are regularized by means of a dynamically adaptive stress tensor that is proportional to the residual of the unperturbed equations. Its effect is close to none where the solution is sufficiently smooth, whereas it increases elsewhere, with a direct contribution to the

  1. Solution-Processed Environmentally Friendly Ag2S Colloidal Quantum Dot Solar Cells with Broad Spectral Absorption

    Directory of Open Access Journals (Sweden)

    Viktor A. Öberg

    2017-10-01

    Full Text Available A facile heat-up synthesis route is used to synthesize environmentally friendly Ag2S colloidal quantum dots (CQDs that are applied as light absorbing material in solid state p-i-n junction solar cell devices. The as-synthesized Ag2S CQDs have an average size of around 3.5 nm and exhibit broad light absorption covering ultraviolet, visible, and near infrared wavelength regions. The solar cell devices are constructed with a device architecture of FTO/TiO2/Ag2S CQDs/hole transport material (HTM /Au using a solution-processed approach. Different HTMs, N2,N2,N2′,N2′,N7,N7,N7′,N7′-octakis(4-methoxyphenyl-9,9′-spirobi(9H-fluorene-2,2′,7,7′ tetramine (spiro-OMeTAD, poly(3-hexylthiophene-2,5-diyl (P3HT, and poly((2,3-bis(3-octyloxyphenyl-5,8-quinoxalinediyl-2,5-thiophenediyl TQ1 are studied for maximizing the device photovoltaic performance. The solar cell device with P3HT as a hole transport material gives the highest performance and the solar cell exhibit broad spectral absorption. These results indicate that Ag2S CQD have high potential for utilization as environmentally friendly light absorbing materials for solar cell application and that the hole transport material is critical to maximize the solar cell photovoltaic performance.

  2. Accurate quantitative CF-LIBS analysis of both major and minor elements in alloys via iterative correction of plasma temperature and spectral intensity

    Science.gov (United States)

    Shuxia, ZHAO; Lei, ZHANG; Jiajia, HOU; Yang, ZHAO; Wangbao, YIN; Weiguang, MA; Lei, DONG; Liantuan, XIAO; Suotang, JIA

    2018-03-01

    The chemical composition of alloys directly determines their mechanical behaviors and application fields. Accurate and rapid analysis of both major and minor elements in alloys plays a key role in metallurgy quality control and material classification processes. A quantitative calibration-free laser-induced breakdown spectroscopy (CF-LIBS) analysis method, which carries out combined correction of plasma temperature and spectral intensity by using a second-order iterative algorithm and two boundary standard samples, is proposed to realize accurate composition measurements. Experimental results show that, compared to conventional CF-LIBS analysis, the relative errors for major elements Cu and Zn and minor element Pb in the copper-lead alloys has been reduced from 12%, 26% and 32% to 1.8%, 2.7% and 13.4%, respectively. The measurement accuracy for all elements has been improved substantially.

  3. Towards a unified solution of localization failure with mixed finite elements

    Science.gov (United States)

    Benedetti, Lorenzo; Cervera, Miguel; Chiumenti, Michele; Zeidler, Antonia; Fischer, Jan-Thomas

    2015-04-01

    Notwithstanding computational scientists made significant steps in the numerical simulation of failure in last three decades, the strain localization problem is still an open question. Especially in a geotechnical setting, when dealing with stability analysis of slopes, it is necessary to provide correct distribution of displacements, to evaluate the stresses in the ground and, therefore, to be able to identify the slip lines that brings to progressive collapse of the slope. Finite elements are an attractive method of solution thanks to profound mathematical foundations and the possibility of describing generic geometries. In order to account for the onset of localization band, the smeared crack approach [1] is introduced, that is the strain localization is assumed to occur in a band of finite width where the displacements are continuous and the strains are discontinuous but bounded. It is well known that this kind of approach poses some challenges. The standard irreducible formulation of FEM is known to be heavily affected by spurious mesh dependence when softening behavior occurs and, consequently, slip lines evolution is biased by the orientation of the mesh. Moreover, in the case of isochoric behavior, unbounded pressure oscillations arise and the consequent locking of the stresses pollutes the numerical solution. Both problems can be shown not to be related to the mathematical statement of the continuous problem but instead to its discrete (FEM) counterpart. Mixed finite element formulations represent a suitable alternative to mitigate these drawbacks. As it has been shown in previous works by Cervera [2], a mixed formulation in terms of displacements and pressure not only provides a propitious solution to the problem of incompressibility, but also it was found to possess the needed robustness in case of strain concentration. This presentation introduces a (stabilized) mixed finite element formulation with continuous linear strain and displacement

  4. Algorithm of DRM with Kinetic Damping for Finite Element Static Solution of Strain-Softening Structures

    Directory of Open Access Journals (Sweden)

    Wei Wang

    2017-01-01

    Full Text Available In order to deal with the divergence and instability due to the ill-posedness of the nonlinear finite element (FE model of strain-softening structure in implicit static analysis, the dynamic relaxation method (DRM was used with kinetic damping to solve the static increments in the incremental solution procedure so that the problem becomes well-posed. Moreover, in DRM there is no need to assemble and inverse the stiffness matrix as in implicit static analysis such that the associated computational cost is avoided. The ascending branch of static equilibrium path was solved by load increments, while the peak point and the descending branch were solved by displacement increments. Two numerical examples illustrated the effectiveness of such application of DRM in the FE analysis of static equilibrium path of strain-softening structures.

  5. Solution of 3D inverse scattering problems by combined inverse equivalent current and finite element methods

    International Nuclear Information System (INIS)

    Kılıç, Emre; Eibert, Thomas F.

    2015-01-01

    An approach combining boundary integral and finite element methods is introduced for the solution of three-dimensional inverse electromagnetic medium scattering problems. Based on the equivalence principle, unknown equivalent electric and magnetic surface current densities on a closed surface are utilized to decompose the inverse medium problem into two parts: a linear radiation problem and a nonlinear cavity problem. The first problem is formulated by a boundary integral equation, the computational burden of which is reduced by employing the multilevel fast multipole method (MLFMM). Reconstructed Cauchy data on the surface allows the utilization of the Lorentz reciprocity and the Poynting's theorems. Exploiting these theorems, the noise level and an initial guess are estimated for the cavity problem. Moreover, it is possible to determine whether the material is lossy or not. In the second problem, the estimated surface currents form inhomogeneous boundary conditions of the cavity problem. The cavity problem is formulated by the finite element technique and solved iteratively by the Gauss–Newton method to reconstruct the properties of the object. Regularization for both the first and the second problems is achieved by a Krylov subspace method. The proposed method is tested against both synthetic and experimental data and promising reconstruction results are obtained

  6. The method of space-time and conservation element and solution element: A new approach for solving the Navier-Stokes and Euler equations

    Science.gov (United States)

    Chang, Sin-Chung

    1995-01-01

    A new numerical framework for solving conservation laws is being developed. This new framework differs substantially in both concept and methodology from the well-established methods, i.e., finite difference, finite volume, finite element, and spectral methods. It is conceptually simple and designed to overcome several key limitations of the above traditional methods. A two-level scheme for solving the convection-diffusion equation is constructed and used to illuminate the major differences between the present method and those previously mentioned. This explicit scheme, referred to as the a-mu scheme, has two independent marching variables.

  7. Surface kinetic model for isotopic and trace element fractionation during precipitation of calcite from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    DePaolo, D.

    2010-10-15

    A surface reaction kinetic model is developed for predicting Ca isotope fractionation and metal/Ca ratios of calcite as a function of rate of precipitation from aqueous solution. The model is based on the requirements for dynamic equilibrium; i.e. proximity to equilibrium conditions is determined by the ratio of the net precipitation rate (R{sub p}) to the gross forward precipitation rate (R{sub f}), for conditions where ionic transport to the growing crystal surface is not rate-limiting. The value of R{sub p} has been experimentally measured under varying conditions, but the magnitude of R{sub f} is not generally known, and may depend on several factors. It is posited that, for systems with no trace constituents that alter the surface chemistry, R{sub f} can be estimated from the bulk far-from-equilibrium dissolution rate of calcite (R{sub b} or k{sub b}), since at equilibrium R{sub f} = R{sub b}, and R{sub p} = 0. Hence it can be inferred that R{sub f} {approx} R{sub p} + R{sub b}. The dissolution rate of pure calcite is measureable and is known to be a function of temperature and pH. At given temperature and pH, equilibrium precipitation is approached when R{sub p} (= R{sub f} - R{sub b}) << R{sub b}. For precipitation rates high enough that R{sub p} >> R{sub b}, both isotopic and trace element partitioning are controlled by the kinetics of ion attachment to the mineral surface, which tend to favor more rapid incorporation of the light isotopes of Ca and discriminate weakly between trace metals and Ca. With varying precipitation rate, a transition region between equilibrium and kinetic control occurs near R{sub p} {approx} R{sub b} for Ca isotopic fractionation. According to this model, Ca isotopic data can be used to estimate R{sub f} for calcite precipitation. Mechanistic models for calcite precipitation indicate that the molecular exchange rate is not constant at constant T and pH, but rather is dependent also on solution saturation state and hence R{sub p

  8. Efficiency Evaluation of Food Waste Materials for the Removal of Metals and Metalloids from Complex Multi-Element Solutions.

    Science.gov (United States)

    Massimi, Lorenzo; Giuliano, Antonella; Astolfi, Maria Luisa; Congedo, Rossana; Masotti, Andrea; Canepari, Silvia

    2018-02-26

    Recent studies have shown the potential of food waste materials as low cost adsorbents for the removal of heavy metals and toxic elements from wastewater. However, the adsorption experiments have been performed in heterogeneous conditions, consequently it is difficult to compare the efficiency of the individual adsorbents. In this study, the adsorption capacities of 12 food waste materials were evaluated by comparing the adsorbents' efficiency for the removal of 23 elements from complex multi-element solutions, maintaining homogeneous experimental conditions. The examined materials resulted to be extremely efficient for the adsorption of many elements from synthetic multi-element solutions as well as from a heavy metal wastewater. The 12 adsorbent surfaces were analyzed by Fourier transform infrared spectroscopy and showed different types and amounts of functional groups, which demonstrated to act as adsorption active sites for various elements. By multivariate statistical computations of the obtained data, the 12 food waste materials were grouped in five clusters characterized by different elements' removal efficiency which resulted to be in correlation with the specific adsorbents' chemical structures. Banana peel, watermelon peel and grape waste resulted the least selective and the most efficient food waste materials for the removal of most of the elements.

  9. Numerical solutions of multi-dimensional solidification/melting problems by the dual reciprocity boundary element method

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Jong Chull; Shin, Won Ky [Korea Institute of Nuclear Safety, Taejon (Korea, Republic of)

    1997-12-31

    This paper presents an effective and simple procedure for the simulation of the motion of the solid-liquid interfacial boundary and the transient temperature field during phase change process. To accomplish this purpose, an iterative implicit solution algorithm has been developed by employing the dual reciprocity boundary element method. The dual reciprocity boundary element approach provided in this paper is much simpler than the usual boundary element method applying a reciprocity principle and an available technique for dealing with domain integral of boundary element formulation simultaneously. The effectiveness of the present analysis method have been illustrated through comparisons of the calculation results of an example with its semi-analytical or other numerical solutions where available. 22 refs., 3 figs. (Author)

  10. Spectral pH dependence of erythrosin B in sol-gel silica coatings and buffered solutions

    Directory of Open Access Journals (Sweden)

    Montero, E.

    2008-02-01

    Full Text Available Thin coatings optically sensitive against pH are obtained by entrapping erythrosin B molecules in a sol-gel silica matrix. Comparisons between optical spectra of erythrosin B in solutions and those once entrapped in silica coatings are performed for pH ranging from 0.5 to 12.0. Significant differences between both kinds of spectra (solutions and coatings of erythrosin B are observed. Main changes are displayed in the absorption spectra for neutral to basic pH. Furthermore, the erythrosin B doped coatings show memory effect or hysteresis in their spectral response against pH. This means that absorption spectra depend on the direction of the pH change. Likewise, the photoluminescent spectra of erythrosin B in buffered solutions exhibit pH dependence and a maximized response in the basic pH range. On contrast, no significant photoluminescence from the erythrosin B entrapped in the silica coatings is observed. Results are mainly discussed on the basis of different optical response of polyprotic forms of erythrosin B and possible interactions between the molecule and oxygen as well as the porous walls of the sol-gel silica matrix. In addition, the presence of diffusional barriers, which hamper the flowing of protons and other associated ions, is taken into account. Good agreement with previous observations about low absorption of polyprotic cationic and neutral forms of erythrosin B is found.

    Se han obtenido recubrimientos delgados ópticamente sensibles al pH mediante atrapamiento de moléculas de eritrosina B en matrices de sílice obtenidas por sol-gel. Se compara la respuesta espectral de la eritrosina B en solución y atrapada en los recubrimientos de sílice para un intervalo de pH comprendido entre 0,5 y 12. Se observan apreciables diferencias entre ambos tipos de espectros (en solución y en recubrimiento de la eritrosina B. Los principales cambios aparecen en los espectros de absorción para el intervalo neutro y básico de pH. Adem

  11. Transplutonium elements separation on anionites by using aqueous-alcohol solutions of nitric acid and butyric acid mixtures

    International Nuclear Information System (INIS)

    Guseva, L.I.; Tikhomirova, G.S.

    1978-01-01

    The behaviour of 243 Am, 243 Cm, and 249 Cf isotopes has been investigated in aqueous-methanol solutions of butyric, isobutyric, α-oxybutyric and α-oxynisobutyric acids in a mixture with nitric acid during their sorption on strongly basic anionites. The coefficients of distribution of transplutonium elements have been determined depending on the concentration of various components of the solution. Under the optimum conditions, the factors of separation of Am-Cm and Cm-Cf pairs amount to about 6 and 4 respectively. The advantages of using macroporous anionites of the soviet production have been demonstrated for the separation of transplutonium elements in the systems under examination

  12. Indirect boundary element method for three dimensional problems. Analytical solution for contribution to wave field by triangular element; Sanjigen kansetsu kyokai yosoho. Sankakukei yoso no kiyo no kaisekikai

    Energy Technology Data Exchange (ETDEWEB)

    Yokoi, T. [Building Research Institute, Tokyo (Japan); Sanchez-Sesma, F. [Universidad National Autonoma de Mexico, (Mexico). Institute de Ingenieria

    1997-05-27

    Formulation is introduced for discretizing a boundary integral equation into an indirect boundary element method for the solution of 3-dimensional topographic problems. Yokoi and Takenaka propose an analytical solution-capable reference solution (solution for the half space elastic body with flat free surface) to problems of topographic response to seismic motion in a 2-dimensional in-plane field. That is to say, they propose a boundary integral equation capable of effectively suppressing the non-physical waves that emerge in the result of computation in the wake of the truncation of the discretized ground surface making use of the wave field in a semi-infinite elastic body with flat free surface. They apply the proposed boundary integral equation discretized into the indirect boundary element method to solve some examples, and succeed in proving its validity. In this report, the equation is expanded to deal with 3-dimensional topographic problems. A problem of a P-wave vertically landing on a flat and free surface is solved by the conventional boundary integral equation and the proposed boundary integral equation, and the solutions are compared with each other. It is found that the new method, different from the conventional one, can delete non-physical waves from the analytical result. 4 figs.

  13. Stabilized Discretization in Spline Element Method for Solution of Two-Dimensional Navier-Stokes Problems

    Directory of Open Access Journals (Sweden)

    Neng Wan

    2014-01-01

    Full Text Available In terms of the poor geometric adaptability of spline element method, a geometric precision spline method, which uses the rational Bezier patches to indicate the solution domain, is proposed for two-dimensional viscous uncompressed Navier-Stokes equation. Besides fewer pending unknowns, higher accuracy, and computation efficiency, it possesses such advantages as accurate representation of isogeometric analysis for object boundary and the unity of geometry and analysis modeling. Meanwhile, the selection of B-spline basis functions and the grid definition is studied and a stable discretization format satisfying inf-sup conditions is proposed. The degree of spline functions approaching the velocity field is one order higher than that approaching pressure field, and these functions are defined on one-time refined grid. The Dirichlet boundary conditions are imposed through the Nitsche variational principle in weak form due to the lack of interpolation properties of the B-splines functions. Finally, the validity of the proposed method is verified with some examples.

  14. Mechanical behavior and coupling between mechanical and oxidation in alloy 718: effect of solide solution elements

    International Nuclear Information System (INIS)

    Max, Bertrand

    2014-01-01

    Alloy 718 is the superalloy the most widely used in industry due to its excellent mechanical properties, as well as oxidation and corrosion resistance in wide range of temperatures and solicitation modes. Nevertheless, it is a well-known fact that this alloy is sensitive to stress corrosion cracking and oxidation assisted cracking under loading in the range of temperatures met in service. Mechanisms explaining this phenomenon are not well understood: nevertheless, it is well established that a relation exists between a change in fracture mode and the apparition of plastic instabilities phenomenon. During this study, the instability phenomenon, Portevin-Le Chatelier effect, in alloy 718 was studied by tensile tests in wide ranges of temperatures and strain rates. Different domains of plastic instabilities have been evidenced. Their characteristics suggest the existence of interactions between dislocations and different types of solute elements: interstitials for lower temperatures and substitutionals for higher testing temperatures. Mechanical spectroscopy tests have been performed on alloy 718 and various alloys which composition is comparable to that of alloy 718. These tests prove the mobility of molybdenum atoms in the alloy in the studied temperature range. Specific tests have been performed to study interaction phenomenon between plasticity and oxidation. These results highlight the strong effect of plastic strain rate on both mechanical behavior and intergranular cracking in alloy 718. The subsequent discussion leads to propose hypothesis on coupling effects between deformation mechanisms and oxidation assisted embrittlement in the observed cracking processes. (author)

  15. Efficiency Evaluation of Food Waste Materials for the Removal of Metals and Metalloids from Complex Multi-Element Solutions

    Directory of Open Access Journals (Sweden)

    Lorenzo Massimi

    2018-02-01

    Full Text Available Recent studies have shown the potential of food waste materials as low cost adsorbents for the removal of heavy metals and toxic elements from wastewater. However, the adsorption experiments have been performed in heterogeneous conditions, consequently it is difficult to compare the efficiency of the individual adsorbents. In this study, the adsorption capacities of 12 food waste materials were evaluated by comparing the adsorbents’ efficiency for the removal of 23 elements from complex multi-element solutions, maintaining homogeneous experimental conditions. The examined materials resulted to be extremely efficient for the adsorption of many elements from synthetic multi-element solutions as well as from a heavy metal wastewater. The 12 adsorbent surfaces were analyzed by Fourier transform infrared spectroscopy and showed different types and amounts of functional groups, which demonstrated to act as adsorption active sites for various elements. By multivariate statistical computations of the obtained data, the 12 food waste materials were grouped in five clusters characterized by different elements’ removal efficiency which resulted to be in correlation with the specific adsorbents’ chemical structures. Banana peel, watermelon peel and grape waste resulted the least selective and the most efficient food waste materials for the removal of most of the elements.

  16. Adaptive solution of the multigroup diffusion equation on irregular structured grids using a conforming finite element method formulation

    International Nuclear Information System (INIS)

    Ragusa, J. C.

    2004-01-01

    In this paper, a method for performing spatially adaptive computations in the framework of multigroup diffusion on 2-D and 3-D Cartesian grids is investigated. The numerical error, intrinsic to any computer simulation of physical phenomena, is monitored through an a posteriori error estimator. In a posteriori analysis, the computed solution itself is used to assess the accuracy. By efficiently estimating the spatial error, the entire computational process is controlled through successively adapted grids. Our analysis is based on a finite element solution of the diffusion equation. Bilinear test functions are used. The derived a posteriori error estimator is therefore based on the Hessian of the numerical solution. (authors)

  17. Mathematical modelling and numerical solution of swelling of cartilaginous tissues. Part II: Mixed-hybrid finite element solution

    NARCIS (Netherlands)

    Malakpoor, K.; Kaasschieter, E.F.; Huyghe, J.M.

    2007-01-01

    Abstract: The swelling and shrinkage of biological tissues are modelled by a four-component mixture theory [J.M. Huyghe and J.D. Janssen, Int. J. Engng. Sci. 35 (1997) 793-802; K. Malakpoor, E.F. Kaasschieter and J.M. Huyghe, Mathematical modelling and numerical solution of swelling of cartilaginous

  18. Determination of molecular parameters by fitting sedimentation data to finite-element solutions of the Lamm equation.

    Science.gov (United States)

    Demeler, B; Saber, H

    1998-01-01

    A method for fitting experimental sedimentation velocity data to finite-element solutions of various models based on the Lamm equation is presented. The method provides initial parameter estimates and guides the user in choosing an appropriate model for the analysis by preprocessing the data with the G(s) method by van Holde and Weischet. For a mixture of multiple solutes in a sample, the method returns the concentrations, the sedimentation (s) and diffusion coefficients (D), and thus the molecular weights (MW) for all solutes, provided the partial specific volumes (v) are known. For nonideal samples displaying concentration-dependent solution behavior, concentration dependency parameters for s(sigma) and D(delta) can be determined. The finite-element solution of the Lamm equation used for this study provides a numerical solution to the differential equation, and does not require empirically adjusted correction terms or any assumptions such as infinitely long cells. Consequently, experimental data from samples that neither clear the meniscus nor exhibit clearly defined plateau absorbances, as well as data from approach-to-equilibrium experiments, can be analyzed with this method with enhanced accuracy when compared to other available methods. The nonlinear least-squares fitting process was accomplished by the use of an adapted version of the "Doesn't Use Derivatives" nonlinear least-squares fitting routine. The effectiveness of the approach is illustrated with experimental data obtained from protein and DNA samples. Where applicable, results are compared to methods utilizing analytical solutions of approximated Lamm equations.

  19. Application of a space-time CE/SE (Conversation Element/Solution Element) method to the numerical solution of chromatographic separation processes

    DEFF Research Database (Denmark)

    including convection-difmsion-reaction PDEs are numerically solved using the two methods on the same spatial grid. Even though the CE/SE method uses a simple stencil structure and is developed on a simple mathematical basis (i.e., Gauss' divergence theorem), accurate and computationally-efficient solutions...... are obtained in a stable manner in most cases. However, a remedy is still needed for PDEs with a stiff source term. It seems to be out of date to use the MOL for solving PDEs containing steep moving fronts because of the dissipation error caused by spatial discretization and time consuming computations...

  20. Growth of tourmaline single crystals containing transition metal elements in hydrothermal solutions

    Science.gov (United States)

    Setkova, Tatiana; Shapovalov, Yury; Balitsky, Vladimir

    2011-03-01

    Interest in the growth of tourmaline single crystals is based on the promising piezoelectric and pyroelectric properties of this material compared to quartz crystals currently in use. Moreover, synthetic tourmaline can be used as a substitute for the natural stone in the jewelry industry similar to other synthetic analogues of gemstones. Single crystals of colored Co-, Ni-, Fe-, (Ni,Cr)-, (Ni,Fe)-, and (Co,Ni,Cr)-containing tourmalines with concentration of transition metal elements up to 16 wt% on a seed have been grown from complex boron-containing hydrothermal solutions at a range of temperatures 400-750 °C and pressures 100 MPa. Experiments were conducted under conditions of a thermal gradient in titanium and chromium-nickel autoclaves. Tourmaline growth on a seed crystal occurs only if separate tourmaline-forming components (monocrystalline corundum and quartz bars) are used as charge. All tourmalines specified above grow in analogous (+) direction of the optical axis with a speed of 0.05 mm/day by faces of the trigonal pyramid, except tourmalines containing chromium. They grow in analogous (+0001) direction with a speed 0.05 mm/day, and in antilogous (-0001) direction with a speed of 0.01 mm/day by faces of the trigonal pyramid and in prism direction with a speed of 0.001 mm/day. Along with the large single crystals, a great amount of finest (30-150 μm in size) tourmaline crystals was formed during the runs by spontaneous nucleation both on the surface of the seed crystals and in the charge.

  1. Preliminary analysis of construction of the test drift in boom clay at Mol using plasticity solutions and finite elements

    International Nuclear Information System (INIS)

    Mair, R.J.; Taylor, R.N.; Higgins, K.G.; Potts, D.M.

    1989-01-01

    Analyses have been undertaken on an advancing tunnel heading at great depth in a clay formation corresponding to the test drift construction at Mol. Belgium. Simplifying assumptions enable plasticity solutions to be used to model the behaviour of a tunnel heading in a linear elastic-perfectly plastic soil. Finite element analysis with the same soil model has been undertaken of the test drift construction, assuming axisymmetric conditions. The results are compared with the plasticity solutions and with the measurements of lining stresses, soil movements and pore pressures by SCK/CEN. Good agreement is obtained between the plasticity solutions and finite element analysis. The measured immediate build-up of stress on the linings is well-predicted and reasonable agreement is obtained between predicted and measured soil movements. The measured pore-pressure changes are poorly predicted by the analyses

  2. A study of elemental migration from poly(ethylene terephthalate) of food packagings to simulated solutions by radiometric method

    International Nuclear Information System (INIS)

    Soares, Eufemia Paez; Saki, Mitiko; Silva, Leonardo G.A.

    2007-01-01

    Brazilian plastic production for food packagings, in recent years, has grown in the same proportion as food consumption. Considering that the plastic manufacturing involves catalytic processes and the use of additives, when the foods are in direct contact with these materials, the components present in plastics may migrate to the food. The Brazilian Health Surveillance Agency (ANVISA) has established boundary-values of migrants as well as procedures to evaluate migration of elements and substances from plastic packaging to food. In this study elemental composition of poly (ethylene terephthalate) - PET - packaging and results of elemental migration were obtained. Instrumental Neutron Activation Analysis (INAA) was used to determine elemental concentrations in PET packagings and the radiometric method was applied for elemental migration determination. This radiometric method consisted of irradiating the PET samples with neutrons, followed by migration exposition and radioactivity measurement in food-simulated solution. Experimental conditions used for migration were 10 days exposure period at 40 deg C. Migration was evaluated for soft drink, juice and water PET packaging. The analytical results indicated that PET packagings contain Co and Sb and those elements are transferred to the simulated solutions. However, these migration results were lower than the maximum tolerance values established by ANVISA. The migration detection limits also indicated high sensitivity of the radiometric method. (author)

  3. Interatomic interaction of additive elements and their influence on the processes in the double metal solutions

    Directory of Open Access Journals (Sweden)

    Марина Анатоліівна Рябікіна

    2016-07-01

    Full Text Available Modern industry uses a lot of elements as additives to improve the service characteristics of metal products that are to be used for various purposes. These elements can be divided into two groups: the first group includes the elements interacting with iron and improving its characteristics (alloying elements, and the second group includes the elements, that modify the characteristics of the structure and properties in an undesirable direction. These are trace elements: S, P, O, As, and others in steel. The negative impact of these elements shows itself as banding, the formation of non-metallic inclusions, flakes, grain boundary segregations et al. The influence of the elements of the both groups on the properties of steel depends on the nature and level of interatomic interaction in the alloy. Computational and analytical study of the major impurity elements in steel impact on the interatomic bond strength and the probability of forming complexes, clusters, and chemical compounds with the basic alloying elements in the steel has been carried out in the work. The theoretical parameter which defines the strength of the ion-covalent bond of two atoms: non-metallic – metallic is the electronegativity of elements. The electronegativity difference of the metal and non-metallic elements increasing, the ionic bonding and thermodynamic stability of these compounds  increase. On the other hand, concentration of valent electrons is a universal characteristic of an atomic element which determines many of its properties, and especially the energy of interatomic interaction. Energy calculations of pairwise interatomic impurity elements: H, C, N, S, P, As interaction with Fe and major alloying elements in steel: Mn, Cr, Si, V, Al, Ti, W, Cu, Mo, Nb were made. It has been stated that all the impurity elements except phosphorus, hydrogen and arsenic have sufficient high adhesion with the majority of the metal elements in the modern steels. Phosphorus does

  4. Model Experiments on Chemical Properties of Superheavy Elements in Aqueous Solutions

    CERN Document Server

    Szeglowski, Z

    2003-01-01

    This paper presents a brief review of model experiments on investigation of chemical properties of transactinide elements, ranging from 104 to 116. The possibilities of isolation of the nuclei of these elements from nuclear reaction products, using the ion-exchange method, are also considered.

  5. An empirical method for determination of elemental components of radiated powers and impurity concentrations from VUV and XUV spectral features in tokamak plasmas

    International Nuclear Information System (INIS)

    Lawson, K.; Peacock, N.; Gianella, R.

    1998-12-01

    The derivation of elemental components of radiated powers and impurity concentrations in bulk tokamak plasmas is complex, often requiring a full description of the impurity transport. A novel, empirical method, the Line Intensity Normalization Technique (LINT) has been developed on the JET (Joint European Torus) tokamak to provide routine information about the impurity content of the plasma and elemental components of radiated power (P rad ). The technique employs a few VUV and XUV resonance line intensities to represent the intrinsic impurity elements in the plasma. From a data base comprising these spectral features, the total bolometric measurement of the radiated power and the Z eff measured by visible spectroscopy, separate elemental components of P rad and Z eff are derived. The method, which converts local spectroscopic signals into global plasma parameters, has the advantage of simplicity, allowing large numbers of pulses to be processed, and, in many operational modes of JET, is found to be both reliable and accurate. It relies on normalizing the line intensities to the absolute calibration of the bolometers and visible spectrometers, using coefficients independent of density and temperature. Accuracies of the order of ± 15% can be achieved for the elemental P rad components of the most significant impurities and the impurity concentrations can be determined to within ±30%. Trace elements can be monitored, although with reduced accuracy. The present paper deals with limiter discharges, which have been the main application to date. As a check on the technique and to demonstrate the value of the LINT results, they have been applied to the transport modelling of intrinsic impurities carried out with the SANCO transport code, which uses atomic data from ADAS. The simulations provide independent confirmation of the concentrations empirically derived using the LINT technique. For this analysis, the simple case of the L-mode regime is considered, the chosen

  6. Studies on the numerical solution of three-dimensional stationary diffusion equations using the finite element method

    International Nuclear Information System (INIS)

    Franke, H.P.

    1976-05-01

    The finite element method is applied to the solution of the stationary 3D group diffusion equations. For this, a programme system with the name of FEM3D is established which also includes a module for semi-automatic mesh generation. Tetrahedral finite elements are used. The neutron fluxes are described by complete first- or second-order Lagrangian polynomials. General homogeneous boundary conditions are allowed. The studies show that realistic three-dimensional problems can be solved at less expense by iterative methods, in particular so when especially adapted matrix handling and storage schemes are used efficiently. (orig./RW) [de

  7. Soil solution chemistry and element fluxes in three European heathlands and their responses to warming and drought

    DEFF Research Database (Denmark)

    Schmidt, I.K.; Tietema, A.; Williams, D.

    2004-01-01

    Soil water chemistry and element budgets were studied at three northwestern European Calluna vulgaris heathland sites in Denmark (DK), The Netherlands (NL), and Wales (UK). Responses to experimental nighttime warming and early summer drought were followed during a two-year period. Soil solution...... chemistry measured below the organic soil layer and below the rooting zone and water fluxes estimated with hydrological models were combined to calculate element budgets. Remarkably high N leaching was observed at the NL heath with 18 and 6.4 kg N ha(-1) year(-1) of NO3-N and NH4-N leached from the control...

  8. Segregation of solute elements at grain boundaries in an ultrafine grained Al-Zn-Mg-Cu alloy

    Energy Technology Data Exchange (ETDEWEB)

    Sha, Gang, E-mail: g.sha@usyd.edu.au [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); ARC Centre of Excellence for Design in Light Metals, The University of Sydney, NSW 2006 (Australia); Yao, Lan [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Liao, Xiaozhou [School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, NSW 2006 (Australia); Ringer, Simon P. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); ARC Centre of Excellence for Design in Light Metals, The University of Sydney, NSW 2006 (Australia); Chao Duan, Zhi [Departments of Aerospace and Mechanical Engineering and Materials Science, University of Southern California, Los Angeles, CA 90089-1453 (United States); Langdon, Terence G. [Departments of Aerospace and Mechanical Engineering and Materials Science, University of Southern California, Los Angeles, CA 90089-1453 (United States); Materials Research Group, School of Engineering Sciences, University of Southampton, Southampton SO17 1BJ (United Kingdom)

    2011-05-15

    The solute segregation at grain boundaries (GBs) of an ultrafine grained (UFG) Al-Zn-Mg-Cu alloy processed by equal-channel angular pressing (ECAP) at 200 {sup o}C was characterised using three-dimensional atom probe. Mg and Cu segregate strongly to the grain boundaries. In contrast, Zn does not always show clear segregation and may even show depletion near the grain boundaries. Trace element Si selectively segregates at some GBs. An increase in the number of ECAP passes leads to a decrease in the grain size but an increase in solute segregation at the boundaries. The significant segregation of alloying elements at the boundaries of ultrafine-grained alloys implies that less solutes will be available in the matrix for precipitation with a decrease in the average grain size. -- Research Highlights: {yields} Atom probe tomography has been employed successfully to reveal unique segregation of solutes at ultrafine grained material. {yields} Mg and Cu elements segregated strongly at the grain boundary of an ultrafine grained Al-Zn-Mg-Cu alloy processed by 4-pass and 8-pass ECAP at 200 {sup o}C. Zn frequently depleted at GBs with a Zn depletion region of 7-15 nm in width on one or both sides of the GBs. Only a small fraction (3/13) of GBs were observed with a low level of Zn segregation where the combined Mg and Cu excess is over 3.1 atom/nm{sup 2}. Si appeared selectively segregated at some of the GBs. {yields} The increase in number of ECAP passes from 4 to 8 correlated with the increase in mean level segregation of Mg and Cu for both solute excess and peak concentration. {yields} The change of plane normal of a grain boundary within 30{sup o} only leads to a slight change in the solute segregation level.

  9. Segregation of solute elements at grain boundaries in an ultrafine grained Al-Zn-Mg-Cu alloy

    International Nuclear Information System (INIS)

    Sha, Gang; Yao, Lan; Liao, Xiaozhou; Ringer, Simon P.; Chao Duan, Zhi; Langdon, Terence G.

    2011-01-01

    The solute segregation at grain boundaries (GBs) of an ultrafine grained (UFG) Al-Zn-Mg-Cu alloy processed by equal-channel angular pressing (ECAP) at 200 o C was characterised using three-dimensional atom probe. Mg and Cu segregate strongly to the grain boundaries. In contrast, Zn does not always show clear segregation and may even show depletion near the grain boundaries. Trace element Si selectively segregates at some GBs. An increase in the number of ECAP passes leads to a decrease in the grain size but an increase in solute segregation at the boundaries. The significant segregation of alloying elements at the boundaries of ultrafine-grained alloys implies that less solutes will be available in the matrix for precipitation with a decrease in the average grain size. -- Research Highlights: → Atom probe tomography has been employed successfully to reveal unique segregation of solutes at ultrafine grained material. → Mg and Cu elements segregated strongly at the grain boundary of an ultrafine grained Al-Zn-Mg-Cu alloy processed by 4-pass and 8-pass ECAP at 200 o C. Zn frequently depleted at GBs with a Zn depletion region of 7-15 nm in width on one or both sides of the GBs. Only a small fraction (3/13) of GBs were observed with a low level of Zn segregation where the combined Mg and Cu excess is over 3.1 atom/nm 2 . Si appeared selectively segregated at some of the GBs. → The increase in number of ECAP passes from 4 to 8 correlated with the increase in mean level segregation of Mg and Cu for both solute excess and peak concentration. → The change of plane normal of a grain boundary within 30 o only leads to a slight change in the solute segregation level.

  10. Current extraction and separation of uranium, thorium and rare earths elements from monazite leach solution using organophosphorous extractants

    International Nuclear Information System (INIS)

    Biswas, Sujoy; Rupawate, V.H.; Hareendran, K.N.; Roy, S.B.

    2014-01-01

    A new process based on solvent extraction has been developed for separation of uranium, thorium and rare earths from monazite leach solution using organophosphorous extractants. The Thorium cake coming from monazite source was dissolved in HNO 3 medium in presence of trace amount of HF for feed preparation. The separation of U(VI) was carried out by liquid-liquid extraction using tris-2-ethyl hexyl phosphoric acid (TEHP) in dodecane leaving thorium and rare earths elements in the raffinate. The thorium from raffinate was selectively extracted using 1M tri iso amyl phosphate (TiAP) in dodecane in organic phase leaving all rare earths elements in aqueous solution. The uranium and thorium from organic medium was quantitatively stripped using 0.05 M HNO 3 counter current mode. Results indicate the quantitative separation of uranium, thorium and rare earths from thorium cake (monazite source) using organophosphorous extractant in counter current mode

  11. Analytical reconstruction scheme for the coarse-mesh solution generated by the spectral nodal method for neutral particle discrete ordinates transport model in slab geometry

    International Nuclear Information System (INIS)

    Barros, Ricardo C.; Filho, Hermes Alves; Platt, Gustavo M.; Oliveira, Francisco Bruno S.; Militao, Damiano S.

    2010-01-01

    Coarse-mesh numerical methods are very efficient in the sense that they generate accurate results in short computational time, as the number of floating point operations generally decrease, as a result of the reduced number of mesh points. On the other hand, they generate numerical solutions that do not give detailed information on the problem solution profile, as the grid points can be located considerably away from each other. In this paper we describe two steps for the analytical reconstruction of the coarse-mesh solution generated by the spectral nodal method for neutral particle discrete ordinates (S N ) transport model in slab geometry. The first step of the algorithm is based on the analytical reconstruction of the coarse-mesh solution within each discretization cell of the grid set up on the spatial domain. The second step is based on the angular reconstruction of the discrete ordinates solution between two contiguous ordinates of the angular quadrature set used in the S N model. Numerical results are given so we can illustrate the accuracy of the two reconstruction techniques, as described in this paper.

  12. Theoretical predictions of hydrolysis and complex formation of group-4 elements Zr, Hf and Rf in HF and HCl solutions

    International Nuclear Information System (INIS)

    Pershina, V.; Trubert, D.; Le Naour, C.; Kratz, J.V.

    2002-01-01

    Fully relativistic molecular density-functional calculations of the electronic structures of hydrated, hydrolyzed and fluoride/chloride complexes have been performed for group-4 elements Zr, Hf, and element 104, Rf. Using the electronic density distribution data, relative values of the free energy change for hydrolysis and complex formation reactions were defined. The results show the following trend for the first hydrolysis step of the cationic species: Zr>Hf>Rf in agreement with experiments. For the complex formation in HF solutions, the trend to a decrease from Zr to Hf is continued with Rf, provided no hydrolysis takes place. At pH>0, further fluorination of hydrolyzed species or fluoro-complexes has an inversed trend in the group Rf≥Zr>Hf, with the difference between the elements being very small. For the complex formation in HCl solutions, the trend is continued with Rf, so that Zr>Hf>Rf independently of pH. A decisive energetic factor in hydrolysis or complex formation processes proved to be a predominant electrostatic metal-ligand interaction. Trends in the K d (distribution coefficient) values for the group-4 elements are expected to follow those of the complex formation

  13. Source and fate of inorganic solutes in the Gibbon River, Yellowstone National Park, Wyoming, USA. II. Trace element chemistry

    Science.gov (United States)

    McCleskey, R. Blaine; Nordstrom, D. Kirk; Susong, David D.; Ball, James W.; Taylor, Howard E.

    2010-01-01

    The Gibbon River in Yellowstone National Park receives inflows from several geothermal areas, and consequently the concentrations of many trace elements are elevated compared to rivers in non-geothermal watersheds. Water samples and discharge measurements were obtained from the Gibbon River and its major tributaries near Norris Geyser Basin under the low-flow conditions of September 2006 allowing for the identification of solute sources and their downstream fate. Norris Geyser Basin, and in particular Tantalus Creek, is the largest source of many trace elements (Al, As, B, Ba, Br, Cs, Hg, Li, Sb, Tl, W, and REEs) to the Gibbon River. The Chocolate Pots area is a major source of Fe and Mn, and the lower Gibbon River near Terrace Spring is the major source of Be and Mo. Some of the elevated trace elements are aquatic health concerns (As, Sb, and Hg) and knowing their fate is important. Most solutes in the Gibbon River, including As and Sb, behave conservatively or are minimally attenuated over 29 km of fluvial transport. Some small attenuation of Al, Fe, Hg, and REEs occurs but primarily there is a transformation from the dissolved state to suspended particles, with most of these elements still being transported to the Madison River. Dissolved Hg and REEs loads decrease where the particulate Fe increases, suggesting sorption onto suspended particulate material. Attenuation from the water column is substantial for Mn, with little formation of Mn as suspended particulates.

  14. Absolute sensitivity calibration from 20 A to 430 A of a grazing incidence spectrometer with a multi-element spectral detector

    International Nuclear Information System (INIS)

    Terry, J.L.; Manning, H.L.; Marmar, E.S.

    1986-07-01

    Two methods which together allow sensitivity calibration from 20 A to 430 A are described in detail. The first method, useful up to 120 A, uses a low power source to generate Kα x-rays which are alternately viewed by an absolute detector (a proportional counter) and the spectrometer. The second method extends that calibration to 430 A. It relies on the 2:1 brightness ratio of bright doublet lines from impurity ions which have a single outer shell electron and which are present in hot, magnetically confined plasmas. It requires that the absolute sensitivity of the spectrometer be known at one wavelength point, and in practice requires a multi-element spectral detector

  15. Adaptive macro finite elements for the numerical solution of monodomain equations in cardiac electrophysiology.

    Science.gov (United States)

    Heidenreich, Elvio A; Ferrero, José M; Doblaré, Manuel; Rodríguez, José F

    2010-07-01

    Many problems in biology and engineering are governed by anisotropic reaction-diffusion equations with a very rapidly varying reaction term. This usually implies the use of very fine meshes and small time steps in order to accurately capture the propagating wave while avoiding the appearance of spurious oscillations in the wave front. This work develops a family of macro finite elements amenable for solving anisotropic reaction-diffusion equations with stiff reactive terms. The developed elements are incorporated on a semi-implicit algorithm based on operator splitting that includes adaptive time stepping for handling the stiff reactive term. A linear system is solved on each time step to update the transmembrane potential, whereas the remaining ordinary differential equations are solved uncoupled. The method allows solving the linear system on a coarser mesh thanks to the static condensation of the internal degrees of freedom (DOF) of the macroelements while maintaining the accuracy of the finer mesh. The method and algorithm have been implemented in parallel. The accuracy of the method has been tested on two- and three-dimensional examples demonstrating excellent behavior when compared to standard linear elements. The better performance and scalability of different macro finite elements against standard finite elements have been demonstrated in the simulation of a human heart and a heterogeneous two-dimensional problem with reentrant activity. Results have shown a reduction of up to four times in computational cost for the macro finite elements with respect to equivalent (same number of DOF) standard linear finite elements as well as good scalability properties.

  16. Soil spectral measurements in the field: problems and solutions in light of the GEO-CARDEL project

    Science.gov (United States)

    Dor, E. Ben; Granot, Amihai

    2017-09-01

    The GEO-CRADEL project aims to establish several knowhow for GEO applications. One of them is food security in which soil spectroscopy plays a major role. To that end we had developed a new assembly for measuring surface reflectance in the field. This was done in order to fill the gap between laboratory and field soil spectral measurements. This device, named SoilPRO (SP) can be connected to any field spectrometer fiber's tip and used to measure representative and undisturbed surfaces of different soil types. The SoilPRO's performance was evaluated against laboratory measurements under optimal conditions and demonstrated high performance in the field. As the SP measurement is not dependent on main factors such as the sun's radiation, atmospheric variations, operator stability or measurement geometry, and it does not disturb the surface being measured, its measurement can be used with laboratory soil spectral data (SSL). To that end the SSL that is generated under the GEO-CARDEL project is now can be used for agro- application in the field.

  17. Self-Assessment of Finite Element Solutions Applied to Transient Phenomena in Solid Continuum Mechanics

    Czech Academy of Sciences Publication Activity Database

    Okrouhlík, Miloslav; Pták, Svatopluk; Valdek, U.

    2009-01-01

    Roč. 16, č. 2 (2009), s. 103-121 ISSN 1802-1484 R&D Projects: GA AV ČR 1ET400760509 Institutional research plan: CEZ:AV0Z20760514 Keywords : stress wave propagation * finite element method * validity of models Subject RIV: BI - Acoustics

  18. Finite element limit analysis based plastic limit pressure solutions for cracked pipes

    International Nuclear Information System (INIS)

    Shim, Do Jun; Huh, Nam Su; Kim, Yun Jae; Kim, Young Jin

    2002-01-01

    Based on detailed FE limit analyses, the present paper provides tractable approximations for plastic limit pressure solutions for axial through-wall cracked pipe; axial (inner) surface cracked pipe; circumferential through-wall cracked pipe; and circumferential (inner) surface cracked pipe. Comparisons with existing analytical and empirical solutions show a large discrepancy in circumferential short through-wall cracks and in surface cracks (both axial and circumferential). Being based on detailed 3-D FE limit analysis, the present solutions are believed to be the most accurate, and thus to be valuable information not only for plastic collapse analysis of pressurised piping but also for estimating non-linear fracture mechanics parameters based on the reference stress approach

  19. Thermometric titration of a free acid and of uranyl in spent fuel element solutions

    International Nuclear Information System (INIS)

    Zamek, M.; Strafelda, F.

    1975-01-01

    A method was elaborated of determining nitric acid in the presence of uranyl nitrate in both aqueous and non-aqueous solutions using a pyridine aqueous solution as a titration agent, and of determining excess uranyl after a hydrogen peroxide addition by a further titration using the same agent. Even a hundred-fold excess of magnesium did not disturb the titration. The method is used in operating solution analyses in the extraction fuel reprocessing in the presence of a small amount of plutonium and of fission products. The reproducibility and accuracy of the method varied in the order of tens to units per cent depending on the concentration of components to be determined. The procedure is applicable for test volumes ranging between 0.1 and 10 ml in concentrations of 1 to 10 -3 M. (author)

  20. Selective ion exchange recovery of rare earth elements from uranium mining solutions

    Science.gov (United States)

    Rychkov, Vladimir N.; Kirillov, Evgeny V.; Kirillov, Sergey V.; Bunkov, Grigory M.; Mashkovtsev, Maxim A.; Botalov, Maxim S.; Semenishchev, Vladimir S.; Volkovich, Vladimir A.

    2016-09-01

    A comparative study of rare earth, ferric and aluminum ions ion exchange behavior on gel sulfonated p;olystyrene cation exchange resins depending on the degree of the matrix cross-linking and pH of the solution is presented. Selective ion exchange of REEs is possible at the pH range of 1.5-2.0 using strongly acidic cation exchange resins containing more than 8 % of DVB. The preliminary results of testing the efficiency of REEs recovery from the industrial uranium underground leaching solutions are also presented.

  1. A POSSIBLE SOLUTION WITH PASSIVE PROTECTION STRUCTURAL RESISTANCE ELEMENTS TO CARGO SHIPS

    Directory of Open Access Journals (Sweden)

    MUNTEANU Ildikó Renata

    2014-09-01

    Full Text Available The authors are proposing an additional fire protection solution (semi-passive for cargo ships, by inserting in the tubular strength structure (hollow section, some rectangular, thin wall pipes manufactured of copper alloy, filled with cooling fluid, that, once the fire bursts, it will be activated (i.e. will be pumped into a closed circuit; this closed system contains also a well dimensioned radiator. This innovative solution could bring improvements with regard to the classic one, of intumescent paints, by extending the safe period for evacuating people and goods.

  2. Fast solution of Cahn–Hilliard variational inequalities using implicit time discretization and finite elements

    KAUST Repository

    Bosch, Jessica

    2014-04-01

    We consider the efficient solution of the Cahn-Hilliard variational inequality using an implicit time discretization, which is formulated as an optimal control problem with pointwise constraints on the control. By applying a semi-smooth Newton method combined with a Moreau-Yosida regularization technique for handling the control constraints we show superlinear convergence in function space. At the heart of this method lies the solution of large and sparse linear systems for which we propose the use of preconditioned Krylov subspace solvers using an effective Schur complement approximation. Numerical results illustrate the competitiveness of this approach. © 2014 Elsevier Inc.

  3. Regularity of a weak solution to the Navier--Stokes equations via one component of a spectral projection of vorticity

    Czech Academy of Sciences Publication Activity Database

    Neustupa, Jiří; Penel, P.

    2014-01-01

    Roč. 46, č. 2 (2014), s. 1681-1700 ISSN 0036-1410 R&D Projects: GA ČR GA13-00522S Institutional support: RVO:67985840 Keywords : Navier-Stokes equations * weak solution * regularity criteria Subject RIV: BA - General Mathematics Impact factor: 1.265, year: 2014 http://epubs.siam.org/doi/abs/10.1137/120874874

  4. Solution of the neutron diffusion equation at two groups of energy by method of triangular finite elements

    International Nuclear Information System (INIS)

    Correia Filho, A.

    1981-04-01

    The Neutron Diffusion Equation at two groups of energy is solved with the use of the Finite - Element Method with first order triangular elements. The program EFTDN (Triangular Finite Elements on Neutron Diffusion) was developed using the language FORTRAN IV. The discrete formulation of the Diffusion Equation is obtained with the application of the Galerkin's Method. In order to solve the eigenvalue - problem, the Method of the Power is applied and, with the purpose of the convergence of the results, Chebshev's polynomial expressions are applied. On the solution of the systems of equations Gauss' Method is applied, divided in two different parts: triangularization of the matrix of coeficients and retrosubstitution taking in account the sparsity of the system. Several test - problems are solved, among then two P.W.R. type reactors, the ZION-1 with 1300 MWe and the 2D-IAEA - Benchmark. Comparision of results with standard solutions show the validity of application of the EFM and precision of the results. (Author) [pt

  5. Spectrophotometric titrations: Application to the determination of some elements in uranium solutions

    International Nuclear Information System (INIS)

    L'Her, M.

    1967-01-01

    The aim of this work is the application of spectrophotometric titrations to the analysis of uranium-containing solutions. We have been led to examine the general principles involved in these titrations, and we give a brief outline of these principles. In the first part we deal therefore with spectrophotometric titrations from a general point of view, examining their fundamental principle, their practical execution as well as the various possibilities of the method. The advantage of the titration are examined, in particular that of lending itself simultaneous determination of two species. The possibility of applying these spectrophotometric titrations to the analysis of uranium-containing solutions is the subject of the second part of this report: the dosage of a few species in uranium (VI) solutions is described. To this second part is added an experimental appendix consisting of a description of the apparatus, as well as of the operational techniques used for certain titrations, in particular those involving solutions containing uranium. (author) [fr

  6. A Space-Time Conservation Element and Solution Element Method for Solving the Two- and Three-Dimensional Unsteady Euler Equations Using Quadrilateral and Hexahedral Meshes

    Science.gov (United States)

    Zhang, Zeng-Chan; Yu, S. T. John; Chang, Sin-Chung; Jorgenson, Philip (Technical Monitor)

    2001-01-01

    In this paper, we report a version of the Space-Time Conservation Element and Solution Element (CE/SE) Method in which the 2D and 3D unsteady Euler equations are simulated using structured or unstructured quadrilateral and hexahedral meshes, respectively. In the present method, mesh values of flow variables and their spatial derivatives are treated as independent unknowns to be solved for. At each mesh point, the value of a flow variable is obtained by imposing a flux conservation condition. On the other hand, the spatial derivatives are evaluated using a finite-difference/weighted-average procedure. Note that the present extension retains many key advantages of the original CE/SE method which uses triangular and tetrahedral meshes, respectively, for its 2D and 3D applications. These advantages include efficient parallel computing ease of implementing non-reflecting boundary conditions, high-fidelity resolution of shocks and waves, and a genuinely multidimensional formulation without using a dimensional-splitting approach. In particular, because Riemann solvers, the cornerstones of the Godunov-type upwind schemes, are not needed to capture shocks, the computational logic of the present method is considerably simpler. To demonstrate the capability of the present method, numerical results are presented for several benchmark problems including oblique shock reflection, supersonic flow over a wedge, and a 3D detonation flow.

  7. Regularity criteria for weak solutions to the Navier-Stokes equations based on spectral projections of vorticity

    Czech Academy of Sciences Publication Activity Database

    Neustupa, Jiří; Penel, P.

    2012-01-01

    Roč. 350, 11-12 (2012), s. 597-602 ISSN 1631-073X R&D Projects: GA ČR GA201/08/0012 Institutional support: RVO:67985840 Keywords : Navier-Stokes equations * weak solution * regularity Subject RIV: BA - General Mathematics Impact factor: 0.477, year: 2012 http://www.sciencedirect.com/science/article/pii/S1631073X12001926#

  8. Spectral analysis and quantum chemical studies of chair and twist-boat conformers of cycloheximide in gas and solution phases

    Science.gov (United States)

    Tokatli, A.; Ucun, F.; Sütçü, K.; Osmanoğlu, Y. E.; Osmanoğlu, Ş.

    2018-02-01

    In this study the conformational behavior of cycloheximide in the gas and solution (CHCl3) phases has theoretically been investigated by spectroscopic and quantum chemical properties using density functional theory (wB97X-D) method with 6-31++G(d,p) basis set, for the first time. The calculated IR results reveal that in the ground state the molecule exits as a mixture of the chair and twist-boat conformers in the gas phase, while the calculated NMR results reveal that it only exits as the chair conformer in the solution phase. In order to obtain the contributions coming from intramolecular interactions to the stability of the conformers in the gas and solution phases, the quantum theory of atoms in molecules (QTAIM), noncovalent interactions (NCI) method, and natural bond orbital analysis (NBO) have been employed. The QTAIM and NCI methods indicated that by intramolecular interactions with bond critical point (BCP) the twist-boat conformer is more stabilized than the chair conformer, while by steric interactions it is more destabilized. Considering that these interactions balance each other, the stabilities of the conformers are understood to be dictated by the van der Waals interactions. The NBO analyses show that the hyperconjugative and steric effects play an important role in the stabilization in the gas and solution phases. Furthermore, to get a better understanding of the chemical behavior of this important antibiotic drug we have evaluated and, commented the global and local reactivity descriptors of the both conformers. Finally, the EPR analysis of γ-irradiated cycloheximide has been done. The comparison of the experimental and calculated data have showed the inducement of a radical structure of (CH2)2ĊCH2 in the molecule. The experimental EPR spectrum has also confirmed that the molecule simultaneously exists in the chair and twist-boat conformers in the solid phase.

  9. Computer programme for the derivation of transfer functions for multivariable systems (solutions of determinants with polynomial elements)

    International Nuclear Information System (INIS)

    Guppy, C.B.

    1962-03-01

    In the methods adopted in this report transfer functions in the form of the ratio of two polynomials of the complex variable s are derived from sets of laplace transformed simultaneous differential equations. The set of algebraic simultaneous equations are solved using Cramer's Rule and this gives rise to determinants having polynomial elements. It is shown how the determinants are formed when transfer functions are specified. The procedure for finding the polynomial coefficients from a given determinant is fully described. The first method adopted is a direct one and reduces a determinant with first degree polynomial elements to secular form and follows this by an application of the similarity transformation to reduce the determinant to a form from which the polynomial coefficients can be read out directly. The programme is able to solve a single determinant with polynomial elements and this can be used to reduce an eigenvalue problem in the form of a secular determinant to polynomial form if the need arises. A description is given of the way in which the data is to be set out for solution by the programme. A description is also given of a method used in an earlier programme for solving polynomial determinants by curve fitting techniques using Chebyshev Polynomials. In this method determinants with polynomial elements of any degree can be solved. (author)

  10. Fundamental-Solution-Based Hybrid Element Model for Nonlinear Heat Conduction Problems with Temperature-Dependent Material Properties

    Directory of Open Access Journals (Sweden)

    Hui Wang

    2013-01-01

    Full Text Available The boundary-type hybrid finite element formulation coupling the Kirchhoff transformation is proposed for the two-dimensional nonlinear heat conduction problems in solids with or without circular holes, and the thermal conductivity of material is assumed to be in terms of temperature change. The Kirchhoff transformation is firstly used to convert the nonlinear partial differential governing equation into a linear one by introducing the Kirchhoff variable, and then the new linear system is solved by the present hybrid finite element model, in which the proper fundamental solutions associated with some field points are used to approximate the element interior fields and the conventional shape functions are employed to approximate the element frame fields. The weak integral functional is developed to link these two fields and establish the stiffness equation with sparse and symmetric coefficient matrix. Finally, the algorithm is verified on several examples involving various expressions of thermal conductivity and existence of circular hole, and numerical results show good accuracy and stability.

  11. Solution of the Lambda modes problem of a nuclear power reactor using an h–p finite element method

    International Nuclear Information System (INIS)

    Vidal-Ferrandiz, A.; Fayez, R.; Ginestar, D.; Verdú, G.

    2014-01-01

    Highlights: • An hp finite element method is proposed for the Lambda modes problem of a nuclear reactor. • Different strategies can be implemented for increasing the accuracy of the solutions. • 2D and 3D benchmarks have been studied obtaining accurate results. - Abstract: Lambda modes of a nuclear power reactor have interest in reactor physics since they have been used to develop modal methods and to study BWR reactor instabilities. An h–p-Adaptation finite element method has been implemented to compute the dominant modes the fundamental mode and the next subcritical modes of a nuclear reactor. The performance of this method has been studied in three benchmark problems, a homogeneous 2D reactor, the 2D BIBLIS reactor and the 3D IAEA reactor

  12. Solution of the Hartree-Fock equations for atoms and diatomic molecules with the finite element method

    International Nuclear Information System (INIS)

    Heinemann, D.; Rosen, A.; Fricke, B.

    1990-01-01

    The finite element method (FEM) is now developed to solve two-dimensional Hartree-Fock (HF) equations for atoms and diatomic molecules. The method and its implementation is described and results are presented for the atoms Be, Ne and Ar as well as the diatomic molecules LiH, BH, N 2 and CO as examples. Total energies and eigenvalues calculated with the FEM on the HF-level are compared with results obtained with the numerical standard methods used for the solution of the opne dimensional HF equations for atoms and for diatomic molecules with the traditional LCAO quantum chemical methods and the newly developed finite difference method on the HF-level. In general the accuracy increases from the LCAO - to the finite difference - to the finite element method. (orig.)

  13. Formation of ammonia complexes of alkaline earth elements in aqueous solutions

    International Nuclear Information System (INIS)

    Padar, T.G.; Stupko, T.V.; Isaev, I.D.; Pashkov, G.L.; Mironov, V.E.

    1990-01-01

    Coefficients of ammonia distribution between aqueous solutions of calcium, strontium, barium and ammonium perchlorate mixtures at ionic strength - 0.50; 1.0 and 1.5 at 298.2 K and ammonia concentrations 0.2-10 mol/dm 3 are measured. Formation of ammonia complexes of M(NH 3 ) n 2+ composition is shown. Logarithms of stepped stability constants for solutions with zero ionic strength for Ca 2+ are: -0.13; -0.25; -0.52 and -0.77, where n=1-4; for Sr 2+ : -0.04; -0.42 and -0.70, where n=1-3 and for Ba 2+ : -0.11; -0.50 and 0.76, where n=1-3

  14. Organic radionuclide compounds in soil solutions and their role in elements absorption in plants

    International Nuclear Information System (INIS)

    Agapkin, G.I.; Tikhomirov, F.A.

    1991-01-01

    The results of reference experiments with introduction of radioactive labels ( 35 S, 45 Ca, 59 Fe, 85 , 125 I) into 5 types of climatophytic soils by the method of radiogel-chromatography allow to ascertain that in soil solutions 59 Fe and 125 I incorporate completely and 35 S, 45 Ca and 85 Sr incorporate by 60-90 % into the composition of one of three fractions of organic compounds with molecular masses of 4x10 2 -6x10 4 . It is shown that significant variations between soils in the absorption of such radionuclides as 4 5 Ca, 58 Fe, 85 Sr and 125 I are celated to a different degree of their transport into soil solutions as well as to differencies in their distribution by molecular-mass fractions of water-soluble organic compounds

  15. A Galerkin Solution for Burgers' Equation Using Cubic B-Spline Finite Elements

    OpenAIRE

    Soliman, A. A.

    2012-01-01

    Numerical solutions for Burgers’ equation based on the Galerkins’ method using cubic B-splines as both weight and interpolation functions are set up. It is shown that this method is capable of solving Burgers’ equation accurately for values of viscosity ranging from very small to large. Three standard problems are used to validate the proposed algorithm. A linear stability analysis shows that a numerical scheme based on a Cranck-Nicolson approximation in time is unconditionally stable.

  16. A Galerkin Solution for Burgers' Equation Using Cubic B-Spline Finite Elements

    Directory of Open Access Journals (Sweden)

    A. A. Soliman

    2012-01-01

    Full Text Available Numerical solutions for Burgers’ equation based on the Galerkins’ method using cubic B-splines as both weight and interpolation functions are set up. It is shown that this method is capable of solving Burgers’ equation accurately for values of viscosity ranging from very small to large. Three standard problems are used to validate the proposed algorithm. A linear stability analysis shows that a numerical scheme based on a Cranck-Nicolson approximation in time is unconditionally stable.

  17. DESIGN AND TECHNOLOGICAL SOLUTIONS FOR THE RESTORATION OF SEWERS USING ELEMENTS OF RECYCLED POLYMER COMPOSITE MATERIALS

    Directory of Open Access Journals (Sweden)

    GONCHARENKO D. F.

    2017-01-01

    Full Text Available Problem statement. Currently sanitary drainage systems of large cities in Ukraine are significantly worn down with prolonged use and due to inefficient solutions for protection of the structures from aggressive effects of the environment, poor quality of materials and construction and installation works during building. Restoration of performance characteristics, reliability and durability of sewer tunnels is the costly and technically complex task, which is urgently needed to be fulfilled to prevent accidents including those with serious environmental impact. Modern work technique and the materials used for restoration allow us to solve these problems with different levels of efficiency, while reducing the cost of restoration due to use of recycled polymeric raw material, as well as to improvement of technological solutions is a currently important direction of research. Purpose of the article. To develop solutions for restoring serviceability, reliability and durability of sewer tunnels taking into account the accumulated experience in renovation of water disposal networks. Conclusion. Use of components made of recycled polymer composite materials during restoring sewer tunnels has significant economic and environmental effects and allows to undertake repair work in hard-to-reach areas.

  18. RADARS, a bioinformatics solution that automates proteome mass spectral analysis, optimises protein identification, and archives data in a relational database.

    Science.gov (United States)

    Field, Helen I; Fenyö, David; Beavis, Ronald C

    2002-01-01

    RADARS, a rapid, automated, data archiving and retrieval software system for high-throughput proteomic mass spectral data processing and storage, is described. The majority of mass spectrometer data files are compatible with RADARS, for consistent processing. The system automatically takes unprocessed data files, identifies proteins via in silico database searching, then stores the processed data and search results in a relational database suitable for customized reporting. The system is robust, used in 24/7 operation, accessible to multiple users of an intranet through a web browser, may be monitored by Virtual Private Network, and is secure. RADARS is scalable for use on one or many computers, and is suited to multiple processor systems. It can incorporate any local database in FASTA format, and can search protein and DNA databases online. A key feature is a suite of visualisation tools (many available gratis), allowing facile manipulation of spectra, by hand annotation, reanalysis, and access to all procedures. We also described the use of Sonar MS/MS, a novel, rapid search engine requiring 40 MB RAM per process for searches against a genomic or EST database translated in all six reading frames. RADARS reduces the cost of analysis by its efficient algorithms: Sonar MS/MS can identifiy proteins without accurate knowledge of the parent ion mass and without protein tags. Statistical scoring methods provide close-to-expert accuracy and brings robust data analysis to the non-expert user.

  19. A finite-element model in vorticity and current function for the numerical solution of the Navier-Stokes equations

    International Nuclear Information System (INIS)

    Cunha Furtado, F. da; Galeao, A.C.N.R.

    1984-01-01

    A numerical procedure for the integration of the incompressible Navier-Stokes equations, when expressed in terms of a stream function equation and a vorticity transport equation, is presented. This procedure comprises: the variational formulation of the equations, the construction of the approximation spaces by the finite element method and the discretization via the Galerkin method. For the stationary problems, the system of non-linear algebraic equations resulting from the discretization is solved by the Newton-Raphson algorithm. Finally, for the transient problems, the solution of the non-linear ordinary differential equations resulting from the spatial discretization is accomplished through a Crank-Nicolson scheme. (Author) [pt

  20. Superconducting axisymmetric finite elements based on a gauged potential variational principle. Part 2: Solutions and numerical results

    Science.gov (United States)

    Schuler, James J.; Felippa, Carlos A.

    1994-01-01

    This paper discusses an incremental-iterative nonlinear solution technique for solving the nonlinear finite element equations of the superconducting state of a superconductor. The untreated equations are highly ill-conditioned and are impossible to solve within the typical 16-place double precision supplied by most computers. A combination of matrix scaling and mesh grading techniques is used to reduce the condition number of the tangent stiffness matrix and increase the accuracy of the current carrying boundary layer representation. Numerical results for a one-dimensional model of a time-independent superconductor treated by the Ginzburg-Landau model are presented and discussed. The computed solutions clearly display the Meissner effect of magnetic field expulsion from the central region of the superconductor. These results are compared to the physics of a low-viscosity fluid problem. From this analogy, a physical argument is advanced about the macroscopic behavior of superconductors.

  1. A solution of the dispersion-convection equation of radial tracer transportation by the finite element variational method

    International Nuclear Information System (INIS)

    Hubert, J.

    1979-01-01

    The variational finite element method (of the Rayleigh-Ritz type) has been applied to solve the standard diffusion-convection equation of radial flow in a dispersive medium. It was shown that the imposing of the boundary condition ΔC/Δx = 0 (=null concentration gradient) introduced great errors in computation results. To remedy it this condition was imposed at the free end of the artifical domain. Its other end joined to the downstream boundary of the investigated domain. The results of calculations compared with the known analytical solutions of the parallel flow show their good accuracy. The method was used to discuss the applicability of the approximate analytical solutions of the radial flow. (author)

  2. Overview of CEA’s R&D on GFR fuel element design: From challenges to solutions

    International Nuclear Information System (INIS)

    Zabiégo, M.; Ingremeau, J.J.; Ravenet, A.; Guédeney, P.; Sauder, C.; Guéneau, C.; Lorrette, C.; Chaffron, L.; Séran, J.L.; Le Flem, M.; David, P.; Briottet, L.

    2013-01-01

    Conclusions and perspectives: Designing GFR fuel elements represents a considerable challenge. There does seem to be little (if any) alternative to relying on SiC/SiC-based solutions. This resulted in CEA’s R&D program facing several technological bottlenecks. Innovative solutions were proposed and patented in the recent years: • Mixed ceramic/metal SA-duct; • “Buffer” bond; • Blind-end SiC/SiC cladding; • “Sandwich” cladding. Much progress has been accomplished and many perspectives have been open… …but proof is yet to be established that the proposed concepts are truly viable. Despite the present slowing down of GFR-dedicated R&D, limited studies are still conducted by CEA within the frame of LWR/SFR-dedicated programs

  3. An efficient discontinuous Galerkin finite element method for highly accurate solution of maxwell equations

    KAUST Repository

    Liu, Meilin

    2012-08-01

    A discontinuous Galerkin finite element method (DG-FEM) with a highly accurate time integration scheme for solving Maxwell equations is presented. The new time integration scheme is in the form of traditional predictor-corrector algorithms, PE CE m, but it uses coefficients that are obtained using a numerical scheme with fully controllable accuracy. Numerical results demonstrate that the proposed DG-FEM uses larger time steps than DG-FEM with classical PE CE) m schemes when high accuracy, which could be obtained using high-order spatial discretization, is required. © 1963-2012 IEEE.

  4. Yield and Mineral Element Concentration of Beetroot in Response to Nutrient Source in Hydroponic Solution

    OpenAIRE

    Egilla, Jonathan N.

    2009-01-01

    The yield and mineral element concentration of beetroot (Beta vulgaris ‘Bulls Blood’) was determined in a closed nutrient-recirculating ‘Nutrient Film Technique’ (NFT) hydroponic experiment. Seedlings were grown and harvested 42 days after transfer into NFT system (DAT), either with a commercial hydroponic fertilizer or a non-hydroponic soluble fertilizer containing in mg liter-1: 108 nitrogen (N) and 12 calcium (Ca) (N1Ca1), or 200 N and 66.7 Ca (N2Ca2), respectively. Nutrient source had no ...

  5. Sorption of elements on phosphonic acid cation exchanger from nitric acid solutions

    International Nuclear Information System (INIS)

    Razbash, A.A.; Sevast'yanov, Yu.G.; Bykhovskii, D.N.

    1988-01-01

    The coefficients of distribution of 25 elements between KRF-20t-60 macroporous phosphonic acid cation exchanger and 0.1-2.0 M nitric acid have been determined by a static method. The above cation exchanger has a high affinity for some multivalent metal ions like Fe (III) , In (III) , Ce (IV) , Ti (IV) , etc. A mechanism has been proposed which explains the increase in cerium(IV) sorption with the rise of acid concentration above 2 M. An example of separation of an artificial mixture of lead and bismuth has been given

  6. The inverse spectral transform for the Dunajski hierarchy and some of its reductions: I. Cauchy problem and longtime behavior of solutions

    International Nuclear Information System (INIS)

    Yi, G; Santini, P M

    2015-01-01

    In this paper we apply the formal inverse spectral transform for integrable dispersionless partial differential equations (PDEs) arising from the commutation condition of pairs of one-parameter families of vector fields, recently developed by S V Manakov and one of the authors, to one distinguished class of equations, the so-called Dunajski hierarchy. We concentrate, for concreteness, (i) on the system of PDEs characterizing a general anti-self-dual conformal structure in neutral signature, (ii) on its first commuting flow, and (iii) on some of their basic and novel reductions. We formally solve their Cauchy problem and we use it to construct the longtime behavior of solutions, showing, in particular, that unlike the case of soliton PDEs, different dispersionless PDEs belonging to the same hierarchy of commuting flows evolve in time in very different ways, exhibiting either a smooth dynamics or a gradient catastrophe at finite time. (paper)

  7. Solution chemistry of element 105. Pt. III. Hydrolysis and complex formation of Nb, Ta, Db and Pa in HF and HBr solutions

    International Nuclear Information System (INIS)

    Pershina, V.; Bastug, T.

    1999-01-01

    Calculations of the electronic structure of MF 6 - and MBr 6 - complexes of Nb, Ta, Pa and element 105, Db, formed in HF and HBr solutions have been performed using the Dirac-Slater Discrete Variational method. On the basis of results of these calculations, relative values of the free energy change of reactions of complex formation have been determined. The order of the complex formation for both acids is shown to be Pa >> Nb > Db > Ta. Such a sequence is defined by a predominant electrostatic energy of the metal-ligand interaction. The hydrolysis of compounds, as a reverse process, proved to change as Ta > Db > Nb >> Pa. Using the theory of metal extraction by anion exchange, the following trend in the extraction of the anionic species from both the HF and HBr aqueous solutions has been predicted: Pa >> Nb ≥ Db > Ta. The strength of the ML 6 - complexes is shown to decrease from MF 6 , to MCl 6 and further to MBr 6 - which is reflected by shifting the complex formation process to the area of higher acid concentrations. (orig.)

  8. Comparison between results of solution of Burgers' equation and Laplace's equation by Galerkin and least-square finite element methods

    Science.gov (United States)

    Adib, Arash; Poorveis, Davood; Mehraban, Farid

    2018-03-01

    In this research, two equations are considered as examples of hyperbolic and elliptic equations. In addition, two finite element methods are applied for solving of these equations. The purpose of this research is the selection of suitable method for solving each of two equations. Burgers' equation is a hyperbolic equation. This equation is a pure advection (without diffusion) equation. This equation is one-dimensional and unsteady. A sudden shock wave is introduced to the model. This wave moves without deformation. In addition, Laplace's equation is an elliptical equation. This equation is steady and two-dimensional. The solution of Laplace's equation in an earth dam is considered. By solution of Laplace's equation, head pressure and the value of seepage in the directions X and Y are calculated in different points of earth dam. At the end, water table is shown in the earth dam. For Burgers' equation, least-square method can show movement of wave with oscillation but Galerkin method can not show it correctly (the best method for solving of the Burgers' equation is discrete space by least-square finite element method and discrete time by forward difference.). For Laplace's equation, Galerkin and least square methods can show water table correctly in earth dam.

  9. Distributions of 14 elements on 60 selected absorbers from two simulant solutions (acid-dissolved sludge and alkaline supernate) for Hanford HLW Tank 102-SY

    International Nuclear Information System (INIS)

    Marsh, S.F.; Svitra, Z.V.; Bowen, S.M.

    1993-10-01

    Sixty commercially available or experimental absorber materials were evaluated for partitioning high-level radioactive waste. These absorbers included cation and anion exchange resins, inorganic exchangers, composite absorbers, and a series of liquid extractants sorbed on porous support-beads. The distributions of 14 elements onto each absorber were measured from simulated solutions that represent acid-dissolved sludge and alkaline supernate solutions from Hanford high-level waste (HLW) Tank 102-SY. The selected elements, which represent fission products (Ce, Cs, Sr, Tc, and Y); actinides (U, Pu, and Am); and matrix elements (Cr, Co, Fe, Mn, Zn, and Zr), were traced by radionuclides and assayed by gamma spectrometry. Distribution coefficients for each of the 1680 element/absorber/solution combinations were measured for dynamic contact periods of 30 min, 2 h, and 6 h to provide sorption kinetics information for the specified elements from these complex media. More than 5000 measured distribution coefficients are tabulated

  10. Distributions of 14 elements on 60 selected absorbers from two simulant solutions (acid-dissolved sludge and alkaline supernate) for Hanford HLW Tank 102-SY

    Energy Technology Data Exchange (ETDEWEB)

    Marsh, S.F.; Svitra, Z.V.; Bowen, S.M.

    1993-10-01

    Sixty commercially available or experimental absorber materials were evaluated for partitioning high-level radioactive waste. These absorbers included cation and anion exchange resins, inorganic exchangers, composite absorbers, and a series of liquid extractants sorbed on porous support-beads. The distributions of 14 elements onto each absorber were measured from simulated solutions that represent acid-dissolved sludge and alkaline supernate solutions from Hanford high-level waste (HLW) Tank 102-SY. The selected elements, which represent fission products (Ce, Cs, Sr, Tc, and Y); actinides (U, Pu, and Am); and matrix elements (Cr, Co, Fe, Mn, Zn, and Zr), were traced by radionuclides and assayed by gamma spectrometry. Distribution coefficients for each of the 1680 element/absorber/solution combinations were measured for dynamic contact periods of 30 min, 2 h, and 6 h to provide sorption kinetics information for the specified elements from these complex media. More than 5000 measured distribution coefficients are tabulated.

  11. A Boundary Element Solution to the Problem of Interacting AC Fields in Parallel Conductors

    Directory of Open Access Journals (Sweden)

    Einar M. Rønquist

    1984-04-01

    Full Text Available The ac fields in electrically insulated conductors will interact through the surrounding electromagnetic fields. The pertinent field equations reduce to the Helmholtz equation inside each conductor (interior problem, and to the Laplace equation outside the conductors (exterior problem. These equations are transformed to integral equations, with the magnetic vector potential and its normal derivative on the boundaries as unknowns. The integral equations are then approximated by sets of algebraic equations. The interior problem involves only unknowns on the boundary of each conductor, while the exterior problem couples unknowns from several conductors. The interior and the exterior problem are coupled through the field continuity conditions. The full set of equations is solved by standard Gaussian elimination. We also show how the total current and the dissipated power within each conductor can be expressed as boundary integrals. Finally, computational results for a sample problem are compared with a finite difference solution.

  12. Extraction of some elements as oxygen-containing anions from alkaline solutions

    International Nuclear Information System (INIS)

    Dakar, G.M.; Iofa, B.Z.; Nesmeyanov, A.N.

    1976-01-01

    The extraction of rhenium (VII) from solutions of LiOH, NaOH, and KOH with ethyl, propyl, butyl, and amyl alcohols and methyl ethyl ketone, as well as the extraction of the alkalies themselves by the indicated organic solvents, were studied with the aid of radioactive tracers. With increasing alkali concentration in the aqueous phase, its distribution coefficient at first decreases, but then begins to rise. The alcohols, in contrast to the ketones, extract alkali hydroxides comparatively well (D approximately 0.1-0.5). Rhenium (VII) is well extracted by alcohols (D approximately 0.1-3) and by the ketone (D approximately 10-100). Perrhenic acid and its corresponding salt pass into the organic phase. The ratio of these compounds basically determines the form of the dependence of the distribution coefficients of rhenium(VII) on the alkali concentration in the aqueous phase. A measurement of the absorption spectra of the initial solutions, extracts, and refinates permitted us to conclude that in extraction the ketone passes into the inner coordination sphere of the perrhenate ion. In the extraction of rhenium(VII) by alcohols, there is a hydration and solvation both of the cationic and of the anionic portions of the associate. In the ketone HReO 4 dissociates appreciably, and therefore a decrease in the distribution coefficients of rhenium(VII) is observed as its concentration in the aqueous phase increases. In the case of alcohols, there is no such dependence, because the readily extractable alkalies suppress the dissociation of NaReO 4 in the organic phase

  13. Tracking discontinuities in hyperbolic conservation laws with spectral accuracy

    Science.gov (United States)

    Touil, H.; Hussaini, M. Y.; Sussman, M.

    2007-08-01

    It is well known that the spectral solutions of conservation laws have the attractive distinguishing property of infinite-order convergence (also called spectral accuracy) when they are smooth (e.g., [C. Canuto, M.Y. Hussaini, A. Quarteroni, T.A. Zang, Spectral Methods for Fluid Dynamics, Springer-Verlag, Heidelberg, 1988; J.P. Boyd, Chebyshev and Fourier Spectral Methods, second ed., Dover, New York, 2001; C. Canuto, M.Y. Hussaini, A. Quarteroni, T.A. Zang, Spectral Methods: Fundamentals in Single Domains, Springer-Verlag, Berlin Heidelberg, 2006]). If a discontinuity or a shock is present in the solution, this advantage is lost. There have been attempts to recover exponential convergence in such cases with rather limited success. The aim of this paper is to propose a discontinuous spectral element method coupled with a level set procedure, which tracks discontinuities in the solution of nonlinear hyperbolic conservation laws with spectral convergence in space. Spectral convergence is demonstrated in the case of the inviscid Burgers equation and the one-dimensional Euler equations.

  14. Theoretical predictions of complex formation of group-4 elements Zr, Hf, and Rf in H2SO4 solutions

    International Nuclear Information System (INIS)

    Pershina, V.; Polakova, D.; Omtvedt, J.P.

    2006-01-01

    A process of step-wise complexation of group-4 elements Zr, Hf, and Rf in H 2 SO 4 solutions has been considered theoretically. Relative values of the free energy change of the M(SO 4 ) 2 (H 2 O) 4 , M(SO 4 ) 3 (H 2 O) 2 2- and M(SO 4 ) 4 4- (M = Zr, Hf, and Rf) formation reactions from hydrated and partially hydrolyzed cations have been calculated using the fully relativistic density functional theory method. They proved to be very similar for reactions of Zr and Hf. At low H 2 SO 4 concentrations, Hf should, however, have a slight preference for the complex formation, especially, when hydrolysis takes place, while with increasing H 2 SO 4 concentration and decreasing hydrolysis, the trend should be Zr > Hf. According to the results, Rf should exhibit a weaker tendency to complex formation than Zr and Hf at the entire range of acid concentrations, i.e., for all types of complexes. Thus, the predicted trend is Zr > Hf >> Rf. The same trend is also found for the formation of R 4 M(SO 4 ) 4 , where R is a monovalent cation. Accordingly, the trend in the K d (distribution coefficient) values in anion-exchange separations of group-4 elements should be: Zr > Hf >> Rf. The obtained trend for Zr and Hf is in agreement with literature data on extraction of these elements in macro-concentrations from sulphuric acid solutions and with recent experiments on extraction of single species by TOA in toluene using the SISAK technique. (orig.)

  15. High frequency dynamics of an isotropic Timoshenko periodic beam by the use of the Time-domain Spectral Finite Element Method

    Science.gov (United States)

    Żak, A.; Krawczuk, M.; Palacz, M.; Doliński, Ł.; Waszkowiak, W.

    2017-11-01

    In this work results of numerical simulations and experimental measurements related to the high frequency dynamics of an aluminium Timoshenko periodic beam are presented. It was assumed by the authors that the source of beam structural periodicity comes from periodical alterations to its geometry due to the presence of appropriately arranged drill-holes. As a consequence of these alterations dynamic characteristics of the beam are changed revealing a set of frequency band gaps. The presence of the frequency band gaps can help in the design process of effective sound filters or sound barriers that can selectively attenuate propagating wave signals of certain frequency contents. In order to achieve this a combination of three numerical techniques were employed by the authors. They comprise the application of the Time-domain Spectral Finite Element Method in the case of analysis of finite and semi-infinite computational domains, damage modelling in the case of analysis of drill-hole influence, as well as the Bloch reduction in the case of analysis of periodic computational domains. As an experimental technique the Scanning Laser Doppler Vibrometry was chosen. A combined application of all these numerical and experimental techniques appears as new for this purpose and not reported in the literature available.

  16. Application of the finite-element method and the eigenmode expansion method to investigate the periodic and spectral characteristic of discrete phase-shift fiber Bragg grating

    Science.gov (United States)

    He, Yue-Jing; Hung, Wei-Chih; Syu, Cheng-Jyun

    2017-12-01

    The finite-element method (FEM) and eigenmode expansion method (EEM) were adopted to analyze the guided modes and spectrum of phase-shift fiber Bragg grating at five phase-shift degrees (including zero, 1/4π, 1/2π, 3/4π, and π). In previous studies on optical fiber grating, conventional coupled-mode theory was crucial. This theory contains abstruse knowledge about physics and complex computational processes, and thus is challenging for users. Therefore, a numerical simulation method was coupled with a simple and rigorous design procedure to help beginners and users to overcome difficulty in entering the field; in addition, graphical simulation results were presented. To reduce the difference between the simulated context and the actual context, a perfectly matched layer and perfectly reflecting boundary were added to the FEM and the EEM. When the FEM was used for grid cutting, the object meshing method and the boundary meshing method proposed in this study were used to effectively enhance computational accuracy and substantially reduce the time required for simulation. In summary, users can use the simulation results in this study to easily and rapidly design an optical fiber communication system and optical sensors with spectral characteristics.

  17. Insight on the anisotropic nature of the D'' layer through the analysis of SKS-SKKS splitting obtained via 3D spectral element modeling

    Science.gov (United States)

    Tesoniero, A.; Leng, K.; Long, M. D.; Nissen-Meyer, T.

    2017-12-01

    Constraining the nature of the anisotropy in the core-mantle boundary region is a key factor for properly predicting the flow of the lowermost mantle. The lack of seismic waves sampling this region and their uneven azimuthal distribution hamper a correct representation of mantle dynamics. We present preliminary results for a series of SKS-SKKS splitting analysis based on numerical forward synthetic tests in a realistic 3-D Earth model using the software AXISEM3D, a newly developed efficient hybrid spectral element method solver for 3-D structures. The anisotropic property of the computational domain in the bottom 300km of the Earth's mantle is fully described with a fourth-order elastic tensor with 21 independent coefficients. We tested a single crystal mineralogy of postperovskite with different orientations that are consistent with realistic mantle flow models and accounted for a wide coverage of azimuthal seismic raypaths. We take advantage of the computational efficiency of the method to achieve resolutions for seismic periods as low as 8s. Our preliminary results, based on forward full waveform modeling, represent a step forward for validating hypotheses for the anisotropy in the D'' layer derived by direct splitting measurements and ray-theoretical mineral physics based modeling tests. Our study also highlights the capability of AXISEM3D to handle high degrees of model complexity in full anisotropy and its potentials for future endeavours.

  18. Inverse Electrocardiographic Source Localization of Ischemia: An Optimization Framework and Finite Element Solution

    Science.gov (United States)

    Wang, Dafang; Kirby, Robert M.; MacLeod, Rob S.; Johnson, Chris R.

    2013-01-01

    With the goal of non-invasively localizing cardiac ischemic disease using body-surface potential recordings, we attempted to reconstruct the transmembrane potential (TMP) throughout the myocardium with the bidomain heart model. The task is an inverse source problem governed by partial differential equations (PDE). Our main contribution is solving the inverse problem within a PDE-constrained optimization framework that enables various physically-based constraints in both equality and inequality forms. We formulated the optimality conditions rigorously in the continuum before deriving finite element discretization, thereby making the optimization independent of discretization choice. Such a formulation was derived for the L2-norm Tikhonov regularization and the total variation minimization. The subsequent numerical optimization was fulfilled by a primal-dual interior-point method tailored to our problem’s specific structure. Our simulations used realistic, fiber-included heart models consisting of up to 18,000 nodes, much finer than any inverse models previously reported. With synthetic ischemia data we localized ischemic regions with roughly a 10% false-negative rate or a 20% false-positive rate under conditions up to 5% input noise. With ischemia data measured from animal experiments, we reconstructed TMPs with roughly 0.9 correlation with the ground truth. While precisely estimating the TMP in general cases remains an open problem, our study shows the feasibility of reconstructing TMP during the ST interval as a means of ischemia localization. PMID:23913980

  19. Rare earth elements in sedimentary phosphate deposits: Solution to the global REE crisis?

    Science.gov (United States)

    Emsbo, Poul; McLaughlin, Patrick I.; Breit, George N.; du Bray, Edward A.; Koenig, Alan E.

    2015-01-01

    The critical role of rare earth elements (REEs), particularly heavy REEs (HREEs), in high-tech industries has created a surge in demand that is quickly outstripping known global supply and has triggered a worldwide scramble to discover new sources. The chemical analysis of 23 sedimentary phosphate deposits (phosphorites) in the United States demonstrates that they are significantly enriched in REEs. Leaching experiments using dilute H2SO4 and HCl, extracted nearly 100% of their total REE content and show that the extraction of REEs from phosphorites is not subject to the many technological and environmental challenges that vex the exploitation of many identified REE deposits. Our data suggest that phosphate rock currently mined in the United States has the potential to produce a significant proportion of the world's REE demand as a byproduct. Importantly, the size and concentration of HREEs in some unmined phosphorites dwarf the world's richest REE deposits. Secular variation in phosphate REE contents identifies geologic time periods favorable for the formation of currently unrecognized high-REE phosphates. The extraordinary endowment, combined with the ease of REE extraction, indicates that such phosphorites might be considered as a primary source of REEs with the potential to resolve the global REE (particularly for HREE) supply shortage.

  20. Stress Analysis of a TRISO Coated Particle Fuel by Using ABAQUS Finite Element Visco-Elastoplastic Solutions

    International Nuclear Information System (INIS)

    Cho, Moon Sung; Kim, Y. M.; Lee, Y. W.

    2006-01-01

    The fundamental design for a gas-cooled reactor relies on an understanding of the behavior of a coated particle fuel. KAERI, which has been carrying out the Korean VHTR (Very High Temperature modular gas cooled Reactor) Project since 2004, is developing a fuel performance analysis code for a VHTR named COPA (COated Particle fuel Analysis). A validation of COPA was attempted by comparing its benchmark results with the visco-elastic solutions obtained from the ABAQUS code calculations for the IAEA-CRP-6 TRISO coated particle benchmark problems involving a creep, swelling, and pressure. However, the ABAQUS finite element model used for the above-mentioned analysis did not consider the material nonlinearity of the SiC coating layer that showed stress levels higher than the assumed yield point of the material. In this study, a consideration of the material nonlinearity is included in the ABAQUS model to obtain the visco-elastoplastic solutions and the results are compared with the visco-elastic solutions obtained from the previous ABAQUS model

  1. Combination of thin-layer chromatography (TLC) and proton induced X-ray emission (PIXE) for elemental analysis of solutions

    International Nuclear Information System (INIS)

    Garten, R.P.H.; Frankfurt Univ.; Schneeweis, G.; Steinbrech, B.; Koenig, K.H.; Groeneveld, K.O.

    1982-01-01

    Proton Induced X-ray Emission (PIXE) analysis is realtively widely used in the analysis of water and metal ion preconcentration preparations from water samples. In this field the efficiency of PIXE is strongly enhanced by taking advantage of the Thin-layer Chromatography (TLC) as a separation step prior the PIXE. Spectral interferences from multielement samples are overcome by the TLC group-separation following chemical aspects. The potentials of the locally resolved and scanned PIXE analysis are employed gaining specific advantages in multielement analysis. The benefits of the combined TLC-PIXE technique are exemplified on some metal chelates of the 8th auxiliary group. A quantitative determination procedure is established for the simultaneous analysis of auxiliary group elements of absolute amounts within the nanogramme-range by calibration using series of graduated dilution and by correction for the dependence of the PIXE-signal intensity on the chromatographic migration length. The additional effort concerning the preseparation by TLC prior to PIXE is negligible. (orig.)

  2. Sustainable Soil Washing: Shredded Card Filtration of Potentially Toxic Elements after Leaching from Soil Using Organic Acid Solutions

    Science.gov (United States)

    Ash, Christopher; Drábek, Ondřej; Tejnecký, Václav; Jehlička, Jan; Michon, Ninon; Borůvka, Luboš

    2016-01-01

    Shredded card (SC) was assessed for use as a sorbent of potentially toxic elements (PTE) carried from contaminated soil in various leachates (oxalic acid, formic acid, CaCl2, water). We further assessed SC for retention of PTE, using acidified water (pH 3.4). Vertical columns and a peristaltic pump were used to leach PTE from soils (O and A/B horizons) before passing through SC. Sorption onto SC was studied by comparing leachates, and by monitoring total PTE contents on SC before and after leaching. SC buffers against acidic soil conditions that promote metals solubility; considerable increases in solution pH (+4.49) were observed. Greatest differences in solution PTE content after leaching with/without SC occurred for Pb. In oxalic acid, As, Cd, Pb showed a high level of sorption (25, 15, and 58x more of the respective PTE in leachates without SC). In formic acid, Pb sorption was highly efficient (219x more Pb in leachate without SC). In water, only Pb showed high sorption (191x more Pb in leachate without SC). In desorption experiments, release of PTE from SC varied according to the source of PTE (organic/mineral soil), and type of solvent used. Arsenic was the PTE most readily leached in desorption experiments. Low As sorption from water was followed by fast release (70% As released from SC). A high rate of Cd sorption from organic acid solutions was followed by strong retention (~12% Cd desorption). SC also retained Pb after sorption from water, with subsequent losses of ≤8.5% of total bound Pb. The proposed use of this material is for the filtration of PTE from extract solution following soil washing. Low-molecular-mass organic acids offer a less destructive, biodegradable alternative to strong inorganic acids for soil washing. PMID:26900684

  3. Sustainable Soil Washing: Shredded Card Filtration of Potentially Toxic Elements after Leaching from Soil Using Organic Acid Solutions.

    Directory of Open Access Journals (Sweden)

    Christopher Ash

    Full Text Available Shredded card (SC was assessed for use as a sorbent of potentially toxic elements (PTE carried from contaminated soil in various leachates (oxalic acid, formic acid, CaCl2, water. We further assessed SC for retention of PTE, using acidified water (pH 3.4. Vertical columns and a peristaltic pump were used to leach PTE from soils (O and A/B horizons before passing through SC. Sorption onto SC was studied by comparing leachates, and by monitoring total PTE contents on SC before and after leaching. SC buffers against acidic soil conditions that promote metals solubility; considerable increases in solution pH (+4.49 were observed. Greatest differences in solution PTE content after leaching with/without SC occurred for Pb. In oxalic acid, As, Cd, Pb showed a high level of sorption (25, 15, and 58x more of the respective PTE in leachates without SC. In formic acid, Pb sorption was highly efficient (219x more Pb in leachate without SC. In water, only Pb showed high sorption (191x more Pb in leachate without SC. In desorption experiments, release of PTE from SC varied according to the source of PTE (organic/mineral soil, and type of solvent used. Arsenic was the PTE most readily leached in desorption experiments. Low As sorption from water was followed by fast release (70% As released from SC. A high rate of Cd sorption from organic acid solutions was followed by strong retention (~12% Cd desorption. SC also retained Pb after sorption from water, with subsequent losses of ≤8.5% of total bound Pb. The proposed use of this material is for the filtration of PTE from extract solution following soil washing. Low-molecular-mass organic acids offer a less destructive, biodegradable alternative to strong inorganic acids for soil washing.

  4. Asymptotics with respect to the spectral parameter and Neumann series of Bessel functions for solutions of the one-dimensional Schrödinger equation

    Science.gov (United States)

    Kravchenko, Vladislav V.; Torba, Sergii M.

    2017-12-01

    A representation for a solution u(ω, x) of the equation -u″ + q(x)u = ω2u, satisfying the initial conditions u(ω, 0) = 1, u'(ω, 0) = iω, is derived in the form u (ω ,x ) = ei ω x(1 +u/1(x ) ω +u/2(x ) ω2 )+e/-iω xu3(x ) ω2 -1/ω2 ∑n=0 ∞inαn(x ) jn(ω x ) , where um(x), m = 1, 2, 3, are given in a closed form, jn stands for a spherical Bessel function of order n, and the coefficients αn are calculated by a recurrent integration procedure. The following estimate is proved |u (ω ,x ) -uN(ω ,x ) |≤1/|ω|2 ɛ N(x ) √{sinh(2/Imω x ) Imω } for any ω ∈C {0 } , where uN(ω, x) is an approximate solution given by truncating the series in the proposed representation for u(ω, x) and ɛN(x) is a non-negative function tending to zero for all x belonging to a finite interval of interest. In particular, for ω ∈R {0 } , the estimate has the form |u (ω ,x ) -uN(ω ,x ) |≤1/|ω|2 ɛ N(x ) . A numerical illustration of application of the new representation for computing the solution u(ω, x) on large sets of values of the spectral parameter ω with an accuracy nondeteriorating (and even improving) when ω → ±∞ is given.

  5. Universal spectral parameter-dependent Lax operators for the Drinfeld double of the dihedral group D{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Dancer, K A; Links, J [Centre for Mathematical Physics, School of Physical Sciences, University of Queensland, Brisbane 4072 (Australia)], E-mail: dancer@maths.uq.edu.au, E-mail: jrl@maths.uq.edu.au

    2009-01-30

    Two universal spectral parameter-dependent Lax operators are presented in terms of the elements of the Drinfeld double D(D{sub 3}) of the dihedral group D{sub 3}. Applying representations of D(D{sub 3}) to these yields matrix solutions of the Yang-Baxter equation with a spectral parameter. (fast track communication)

  6. Substitution of chlorinated and fluorinated solvents by biodegradable detergent solution in components cleaning of nuclear fuel elements

    International Nuclear Information System (INIS)

    Vieira, Andre Luiz Pinto da Silva

    2000-01-01

    As the auxiliary oils used in machining evolved from integral into aqueous emulsion, and later on into aqueous-solution synthetic oils, the components cleaning process with organic solvents, originally adopted at the Fuel Element Factory (FEC), Industrias Nucleares do Brasil S.A. (INB) began to present problems in removing oil residues from machined components, due to the incompatibility between aqueous and organic media. In order to eliminate such incompatibility and adapt the process to the environmental laws restricting production and use of chlorinated or fluorinated solvents as a measure for preserving the atmosphere's ozone layer, in 1995 INB initiated the development of a components cleaning process using biodegradable aqueous detergent. The effort was completed in 2000 with the construction of a machine in keeping with the specific geometry of the fuel-assembly components and the operating conditions required for working with the new process. (author)

  7. A stabilized finite element formulation for the solution of the Navier-Stokes equations in axisymmetric geometry

    International Nuclear Information System (INIS)

    Souza, Altivo Monteiro de

    2008-12-01

    The world energy consumption has been increasing strongly in recent years. Nuclear energy has been regarded as a suitable option to supply this growing energy demand in industrial scale. In view of the need of improving the understanding and capacity of analysis of nuclear power plants, modern simulation techniques for flow and heat transfer problems are gaining greater importance. A large number of problems found in nuclear reactor engineering can be dealt assuming axial symmetry. Thus, in this work a stabilized finite element formulation for the solution of the Navier-Stokes and energy equations for axisymmetric problems have been developed and tested. The formulation has been implemented in the NS S OLVER M PI 2 D A program developed at the Parallel Computation Laboratory of the Instituto de Engenharia Nuclear (LCP/IEN) and is now available either for safety analysis or design of nuclear systems. (author)

  8. Application of 1 D Finite Element Method in Combination with Laminar Solution Method for Pipe Network Analysis

    Science.gov (United States)

    Dudar, O. I.; Dudar, E. S.

    2017-11-01

    The features of application of the 1D dimensional finite element method (FEM) in combination with the laminar solutions method (LSM) for the calculation of underground ventilating networks are considered. In this case the processes of heat and mass transfer change the properties of a fluid (binary vapour-air mix). Under the action of gravitational forces it leads to such phenomena as natural draft, local circulation, etc. The FEM relations considering the action of gravity, the mass conservation law, the dependence of vapour-air mix properties on the thermodynamic parameters are derived so that it allows one to model the mentioned phenomena. The analogy of the elastic and plastic rod deformation processes to the processes of laminar and turbulent flow in a pipe is described. Owing to this analogy, the guaranteed convergence of the elastic solutions method for the materials of plastic type means the guaranteed convergence of the LSM for any regime of a turbulent flow in a rough pipe. By means of numerical experiments the convergence rate of the FEM - LSM is investigated. This convergence rate appeared much higher than the convergence rate of the Cross - Andriyashev method. Data of other authors on the convergence rate comparison for the finite element method, the Newton method and the method of gradient are provided. These data allow one to conclude that the FEM in combination with the LSM is one of the most effective methods of calculation of hydraulic and ventilating networks. The FEM - LSM has been used for creation of the research application programme package “MineClimate” allowing to calculate the microclimate parameters in the underground ventilating networks.

  9. Numerical and Experimental Study on Integration of Control Actions into the Finite Element Solutions in Smart Structures

    Directory of Open Access Journals (Sweden)

    L. Malgaca

    2009-01-01

    Full Text Available Piezoelectric smart structures can be modeled using commercial finite element packages. Integration of control actions into the finite element model solutions (ICFES can be done in ANSYS by using parametric design language. Simulation results can be obtained easily in smart structures by this method. In this work, cantilever smart structures consisting of aluminum beams and lead-zirconate-titanate (PZT patches are considered. Two cases are studied numerically and experimentally in parallel. In the first case, a smart structure with a single PZT patch is used for the free vibration control under an initial tip displacement. In the second case, a smart structure with two PZT patches is used for the forced vibration control under harmonic excitation, where one of the PZT patches is used as vibration generating shaker while the other is used as vibration controlling actuator. For the two cases, modal analyses are done using chirp signals; Control OFF and Control ON responses in the time domain are obtained for various controller gains. A non-contact laser displacement sensor and strain gauges are utilized for the feedback signals. It is observed that all the simulation results agree with the experimental results.

  10. Wave propagation simulation in the upper core of sodium-cooled fast reactors using a spectral-element method for heterogeneous media

    Science.gov (United States)

    Nagaso, Masaru; Komatitsch, Dimitri; Moysan, Joseph; Lhuillier, Christian

    2018-01-01

    ASTRID project, French sodium cooled nuclear reactor of 4th generation, is under development at the moment by Alternative Energies and Atomic Energy Commission (CEA). In this project, development of monitoring techniques for a nuclear reactor during operation are identified as a measure issue for enlarging the plant safety. Use of ultrasonic measurement techniques (e.g. thermometry, visualization of internal objects) are regarded as powerful inspection tools of sodium cooled fast reactors (SFR) including ASTRID due to opacity of liquid sodium. In side of a sodium cooling circuit, heterogeneity of medium occurs because of complex flow state especially in its operation and then the effects of this heterogeneity on an acoustic propagation is not negligible. Thus, it is necessary to carry out verification experiments for developments of component technologies, while such kind of experiments using liquid sodium may be relatively large-scale experiments. This is why numerical simulation methods are essential for preceding real experiments or filling up the limited number of experimental results. Though various numerical methods have been applied for a wave propagation in liquid sodium, we still do not have a method for verifying on three-dimensional heterogeneity. Moreover, in side of a reactor core being a complex acousto-elastic coupled region, it has also been difficult to simulate such problems with conventional methods. The objective of this study is to solve these 2 points by applying three-dimensional spectral element method. In this paper, our initial results on three-dimensional simulation study on heterogeneous medium (the first point) are shown. For heterogeneity of liquid sodium to be considered, four-dimensional temperature field (three spatial and one temporal dimension) calculated by computational fluid dynamics (CFD) with Large-Eddy Simulation was applied instead of using conventional method (i.e. Gaussian Random field). This three-dimensional numerical

  11. Trace elements and nutrients adsorption onto nano-maghemite in a contaminated-soil solution: A geochemical/statistical approach.

    Science.gov (United States)

    Martínez-Fernández, Domingo; Bingöl, Deniz; Komárek, Michael

    2014-07-15

    Two experiments were carried out to study the competition for adsorption between trace elements (TEs) and nutrients following the application of nano-maghemite (NM) (iron nano-oxide; Fe2O3) to a soil solution (the 0.01molL(-1) CaCl2 extract of a TEs-contaminated soil). In the first, the nutrients K, N, and P were added to create a set of combinations: potential availability of TEs during their interaction with NM and nutrients were studied. In the second, response surface methodology was used to develop predictive models by central composite design (CCD) for competition between TEs and the nutrients K and N for adsorption onto NM. The addition of NM to the soil solution reduced specifically the concentrations of available As and Cd, but the TE-adsorption capacity of NM decreased as the P concentration increased. The CCD provided more concise and valuable information, appropriate to estimate the behavior of NM sequestering TEs: according to the suggested models, K(+) and NH4(+) were important factors for Ca, Fe, Mg, Mn, Na, and Zn adsorption (Radj(2)=95%, except for Zn with Radj(2)=87%). The obtained information and models can be used to predict the effectiveness of NM for the stabilization of TEs, crucial during the phytoremediation of contaminated soils. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Evaluation Of Method Of Line (MOL For Solution Of Soil Water Flow Equations And Comparison With Finite Element Method (FEM

    Directory of Open Access Journals (Sweden)

    ISAM M. Mahammed

    2012-03-01

    Full Text Available The objective of this research is to evaluate Method of Line (MOL used for solution of  water flow equations through porous media using MATLAB package functions for solution of ordinary differential equations ODE,s  , instead of writing long programs codes.  sink & source term to MOL model were included. Then Comparing MOL model with another model that uses finite element method in solving water flow equations (FEM in one dimensional flow using computer program code in FORTRAN.  Two cases were examined for evaluation and comparison of these two models. Firstly, infiltration phenomena using sandy soil was studied with the same parameter for both models.  Results show that there is a divergence between the two models along time of 60 minutes of infiltration. Changes of moisture content with soil depth were sharp with FEM model. Second case, data of  the volume  of water content for wheat field where used taking irrigation and evaporation into account, along the growth period of wheat crop and different depths up to  100 cm. Results show that output of  FEM model has  high degree of agreement with  the measured data for all depths and along all period of growth. Data given by MOL model were less in values than measured data for all depths and along all period of wheat growth time.

  13. Enhanced desorption of PCB and trace metal elements (Pb and Cu) from contaminated soils by saponin and EDDS mixed solution

    International Nuclear Information System (INIS)

    Cao, Menghua; Hu, Yuan; Sun, Qian; Wang, Linling; Chen, Jing; Lu, Xiaohua

    2013-01-01

    This study investigated the simultaneous desorption of trace metal elements and polychlorinated biphenyl (PCB) from mixed contaminated soil with a novel combination of biosurfactant saponin and biodegradable chelant S,S-ethylenediaminedisuccinic acid (EDDS). Results showed significant promotion and synergy on Pb, Cu and PCB desorption with the mixed solution of saponin and EDDS. The maximal desorption of Pb, Cu and PCB were achieved 99.8%, 85.7% and 45.7%, respectively, by addition of 10 mM EDDS and 3000 mg L −1 saponin. The marked interaction between EDDS and saponin contributed to the synergy performance. The sorption of EDDS and saponin on soil was inhibited by each other. EDDS could enhance the complexation of metals with the saponin micelles and the solubilization capabilities of saponin micelles for PCB. Our study suggests the combination of saponin and EDDS would be a promising alternative for remediation of co-contaminated soils caused by hydrophobic organic compounds (HOCs) and metals. -- Highlights: ► A novel combination of biosurfactant saponin and EDDS was used to simultaneously remove mixed contaminations from soil. ► Significant synergy on Pb, Cu and PCB desorption were achieved with EDDS/saponin. ► The marked interaction between EDDS and saponin contributed to the synergy performance. -- Significant synergistic effect on Pb, Cu and PCB desorption were achieved with the mixed solution of saponin and EDDS

  14. A new Eulerian-Lagrangian finite element simulator for solute transport in discrete fracture-matrix systems

    Energy Technology Data Exchange (ETDEWEB)

    Birkholzer, J.; Karasaki, K. [Lawrence Berkeley National Lab., CA (United States). Earth Sciences Div.

    1996-07-01

    Fracture network simulators have extensively been used in the past for obtaining a better understanding of flow and transport processes in fractured rock. However, most of these models do not account for fluid or solute exchange between the fractures and the porous matrix, although diffusion into the matrix pores can have a major impact on the spreading of contaminants. In the present paper a new finite element code TRIPOLY is introduced which combines a powerful fracture network simulator with an efficient method to account for the diffusive interaction between the fractures and the adjacent matrix blocks. The fracture network simulator used in TRIPOLY features a mixed Lagrangian-Eulerian solution scheme for the transport in fractures, combined with an adaptive gridding technique to account for sharp concentration fronts. The fracture-matrix interaction is calculated with an efficient method which has been successfully used in the past for dual-porosity models. Discrete fractures and matrix blocks are treated as two different systems, and the interaction is modeled by introducing sink/source terms in both systems. It is assumed that diffusive transport in the matrix can be approximated as a one-dimensional process, perpendicular to the adjacent fracture surfaces. A direct solution scheme is employed to solve the coupled fracture and matrix equations. The newly developed combination of the fracture network simulator and the fracture-matrix interaction module allows for detailed studies of spreading processes in fractured porous rock. The authors present a sample application which demonstrate the codes ability of handling large-scale fracture-matrix systems comprising individual fractures and matrix blocks of arbitrary size and shape.

  15. Evaluation of the Ross fast solution of Richards' equation in unfavourable conditions for standard finite element methods

    International Nuclear Information System (INIS)

    Crevoisier, D.; Voltz, M.; Chanzy, A.

    2009-01-01

    Ross [Ross PJ. Modeling soil water and solute transport - fast, simplified numerical solutions. Agron J 2003;95:1352-61] developed a fast, simplified method for solving Richards' equation. This non-iterative 1D approach, using Brooks and Corey [Brooks RH, Corey AT. Hydraulic properties of porous media. Hydrol. papers, Colorado St. Univ., Fort Collins: 1964] hydraulic functions, allows a significant reduction in computing time while maintaining the accuracy of the results. The first aim of this work is to confirm these results in a more extensive set of problems, including those that would lead to serious numerical difficulties for the standard numerical method. The second aim is to validate a generalisation of the Ross method to other mathematical representations of hydraulic functions. The Ross method is compared with the standard finite element model, Hydrus-1D [Simunek J, Sejna M, Van Genuchten MTh. The HYDRUS-1D and HYDRUS-2D codes for estimating unsaturated soil hydraulic and solutes transport parameters. Agron Abstr 357; 1999]. Computing time, accuracy of results and robustness of numerical schemes are monitored in 1D simulations involving different types of homogeneous soils, grids and hydrological conditions. The Ross method associated with modified Van Genuchten hydraulic functions [Vogel T, Cislerova M. On the reliability of unsaturated hydraulic conductivity calculated from the moisture retention curve. Transport Porous Media 1988:3:1-15] proves in every tested scenario to be more robust numerically, and the compromise of computing time/accuracy is seen to be particularly improved on coarse grids. Ross method run from 1.25 to 14 times faster than Hydrus-1D. (authors)

  16. The spectral cell method in nonlinear earthquake modeling

    Science.gov (United States)

    Giraldo, Daniel; Restrepo, Doriam

    2017-12-01

    This study examines the applicability of the spectral cell method (SCM) to compute the nonlinear earthquake response of complex basins. SCM combines fictitious-domain concepts with the spectral-version of the finite element method to solve the wave equations in heterogeneous geophysical domains. Nonlinear behavior is considered by implementing the Mohr-Coulomb and Drucker-Prager yielding criteria. We illustrate the performance of SCM with numerical examples of nonlinear basins exhibiting physically and computationally challenging conditions. The numerical experiments are benchmarked with results from overkill solutions, and using MIDAS GTS NX, a finite element software for geotechnical applications. Our findings show good agreement between the two sets of results. Traditional spectral elements implementations allow points per wavelength as low as PPW = 4.5 for high-order polynomials. Our findings show that in the presence of nonlinearity, high-order polynomials (p ≥ 3) require mesh resolutions above of PPW ≥ 10 to ensure displacement errors below 10%.

  17. chemical studies on the reactivity of some organic extractants for extraction and separation of certain elements from aqueous solutions

    International Nuclear Information System (INIS)

    Aly, M.M.I.

    2010-01-01

    Lanthanide elements such as lanthanum and neodymium are important elements in photo-electronic and metallurgical industries as well as in nuclear technology. The main constituents of the spent nuclear fuel are actinides like uranium, thorium and various fission products including lanthanides. The co-ordination compounds of the trivalent lanthanum and neodymium continues to be an active research area, which includes the specific spectroscopic and magnetic properties of rare earth ions and their applications as super molecular device, contrast-enhancing agents in magnetic resonance imaging, optical signal amplifiers and electroluminescent (EL) devices. Hence, the separation and purification of these elements is of great concern. Solvent extraction technique is employed to separate and purify rare earth elements in an industrial scale, but the separation of lanthanum and neodymium is a difficult task, as lanthanide ions exhibit similar chemical and physical properties. They have generally common and stable +3 oxidation state that requires synthesis of certain extractants which are able to extract them from different aqueous solutions. During the last twenty years, different publications have pointed out the remarkable properties of alkyl amide in the field of separation chemistry. These extractants are able to form stable co-ordination compounds with different metallic ions. In this concern, this thesis deals with the synthesis of different amide extractants namely N, N diethylacetoamide (DEAA), N, N Teteraphenyl malonamide (TPMA), N, N diphenylbenzamide (DPBA), N, N' diphenylacetoamide (DPAA), and N, N' Teteraethyl malonamide (TEMA), which were synthesized, characterized and compared with Aliquat-336 in kerosene for extraction and separation of La (III) and Nd (III). The effect of the different parameters affecting the extraction of these metals from aqueous nitric acid medium in the different systems has been studied in terms of shaking time, nitric acid, hydrogen

  18. Mechanical spectral shift reactor

    International Nuclear Information System (INIS)

    Wilson, J.F.; Sherwood, D.G.

    1982-01-01

    A mechanical spectral shift reactor comprises a reactive core having fuel assemblies accommodating both water displacer elements and neutron absorbing control rods for selectively changing the volume of water-moderator in the core. The fuel assemblies with displacer and control rods are arranged in alternating fashion so that one displacer element drive mechanism may move displacer elements in more than one fuel assembly without interfering with the movement of control rods of a corresponding control rod drive mechanisms. (author)

  19. The analytical solution to the problem on the temperature field in a structural element of rectangular profile for third kind boundary conditions

    International Nuclear Information System (INIS)

    Kulich, N.V.; Nemtsev, V.A.

    1986-01-01

    The analytical solution to the problem on the stationary temperature field in an infinite structural element of rectangular profile characteristic of the conjugation points of a vessel and a tube sheet of a heat exchanger (or of a finned surface) at the third-kind boundary conditions has been obtained by the methods of the complex variable function theory. With the help of the obtained analytical dependences the calculations of the given element of the design and the comparison with the known data have been conducted. The proposed analytical solution can be effectively used in calculations of temperature fields in finned surfaces and structural elements of the power equipment of the considered profile and the method is applied for solution of the like problems

  20. SOLUTIONING

    Directory of Open Access Journals (Sweden)

    Maria de Hoyos Guajardo, Ph.D. Candidate, M.Sc., B.Eng.

    2004-11-01

    Full Text Available The theory that is presented below aims to conceptualise how a group of undergraduate students tackle non-routine mathematical problems during a problem-solving course. The aim of the course is to allow students to experience mathematics as a creative process and to reflect on their own experience. During the course, students are required to produce a written ‘rubric’ of their work, i.e., to document their thoughts as they occur as well as their emotionsduring the process. These ‘rubrics’ were used as the main source of data.Students’ problem-solving processes can be explained as a three-stage process that has been called ‘solutioning’. This process is presented in the six sections below. The first three refer to a common area of concern that can be called‘generating knowledge’. In this way, generating knowledge also includes issues related to ‘key ideas’ and ‘gaining understanding’. The third and the fourth sections refer to ‘generating’ and ‘validating a solution’, respectively. Finally, once solutions are generated and validated, students usually try to improve them further before presenting them as final results. Thus, the last section deals with‘improving a solution’. Although not all students go through all of the stages, it may be said that ‘solutioning’ considers students’ main concerns as they tackle non-routine mathematical problems.

  1. About solution of multipoint boundary problem of static analysis of deep beam with the use of combined application of finite element method and discrete-continual finite element method. part 1: formulation of the problem and general principles of approximation

    Directory of Open Access Journals (Sweden)

    Lyakhovich Leonid

    2017-01-01

    Full Text Available This paper is devoted to formulation and general principles of approximation of multipoint boundary problem of static analysis of deep beam with the use of combined application of finite element method (FEM discrete-continual finite element method (DCFEM. The field of application of DCFEM comprises structures with regular physical and geometrical parameters in some dimension (“basic” dimension. DCFEM presupposes finite element approximation for non-basic dimension while in the basic dimension problem remains continual. DCFEM is based on analytical solutions of resulting multipoint boundary problems for systems of ordinary differential equations with piecewise-constant coefficients.

  2. Solution of the two-dimensional transient heat conduction equation using the finite element method and the Saul'ev ADE method for time derivation

    International Nuclear Information System (INIS)

    Haner, A.; Fremd, R.; Schmidt, F.

    1979-12-01

    The finite element method (FEM) is used for the solution of the twodimensional transient heat conduction equation. The time derivation is approximated by use of Saul'ev ADE method, which is modified for the FEM. This method will be improved in such way that the use of any triangular element is possible. The realisation of the method is based on a modified version of the program DIFGEN which solves the neutron diffusion equation. (orig.) 891 RW/orig. 892 MKO [de

  3. Static Aeroelastic and Longitudinal Trim Model of Flexible Wing Aircraft Using Finite-Element Vortex-Lattice Coupled Solution

    Science.gov (United States)

    Ting, Eric; Nguyen, Nhan; Trinh, Khanh

    2014-01-01

    This paper presents a static aeroelastic model and longitudinal trim model for the analysis of a flexible wing transport aircraft. The static aeroelastic model is built using a structural model based on finite-element modeling and coupled to an aerodynamic model that uses vortex-lattice solution. An automatic geometry generation tool is used to close the loop between the structural and aerodynamic models. The aeroelastic model is extended for the development of a three degree-of-freedom longitudinal trim model for an aircraft with flexible wings. The resulting flexible aircraft longitudinal trim model is used to simultaneously compute the static aeroelastic shape for the aircraft model and the longitudinal state inputs to maintain an aircraft trim state. The framework is applied to an aircraft model based on the NASA Generic Transport Model (GTM) with wing structures allowed to flexibly deformed referred to as the Elastically Shaped Aircraft Concept (ESAC). The ESAC wing mass and stiffness properties are based on a baseline "stiff" values representative of current generation transport aircraft.

  4. Numerical solutions of magnetohydrodynamic stability of axisymmetric toroidal plasmas using cubic B-spline finite element method

    International Nuclear Information System (INIS)

    Cheng, C.Z.

    1988-12-01

    A nonvariational ideal MHD stability code (NOVA) has been developed. In a general flux coordinate (/psi/, θ, /zeta/) system with an arbitrary Jacobian, the NOVA code employs Fourier expansions in the generalized poloidal angle θ and generalized toroidal angle /zeta/ directions, and cubic-B spline finite elements in the radial /psi/ direction. Extensive comparisons with these variational ideal MHD codes show that the NOVA code converges faster and gives more accurate results. An extended version of NOVA is developed to integrate non-Hermitian eigenmode equations due to energetic particles. The set of non-Hermitian integro-differential eigenmode equations is numerically solved by the NOVA-K code. We have studied the problems of the stabilization of ideal MHD internal kink modes by hot particle pressure and the excitation of ''fishbone'' internal kink modes by resonating with the energetic particle magnetic drift frequency. Comparisons with analytical solutions show that the values of the critical β/sub h/ from the analytical theory can be an order of magnitude different from those computed by the NOVA-K code. 24 refs., 11 figs., 1 tab

  5. Estabilización de disoluciones acuosas de riboflavina por solapamiento espectral Stabilization of aqueous solution of Riboflavin by spectral overlapping

    Directory of Open Access Journals (Sweden)

    Cecilia Gallardo Cabrera

    2011-12-01

    Full Text Available Se evaluó la fotoestabilización de la riboflavina en disolución acuosa a través de solapamiento espectral. En estudios previos se determinó que la longitud de onda a 445 nm promueve la degradación de la riboflavina, por eso se escogieron los colorantes que mejor eficiencia de absorción presentaran a esta longitud de onda. El estudio de fotoprotección consistió en determinar y comparar las constantes de velocidad (k0 de las reacciones de fotodegradación de la riboflavina en disoluciones (80 µM en presencia y ausencia de colorantes a diferentes concentraciones: tartrazina (40, 58, 71 y 187 µM, amarillo ocaso (80, 160, 442 y 1 600 µM y amarillo de quinoleína (80,133, 160 y 1 600 µM. Las cinéticas se realizaron irradiando las muestras en una cámara de simulación solar a 250 W.m-2, a diferentes tiempos y cuantificando la riboflavina residual, mediante cromatografía líquida de alta resolución. Las constantes de velocidad (k0 se determinaron mediante el método integral. En ausencia de colorantes la fotodegradación de la riboflavina obedece a una cinética de orden cero (k0= 0,0012 mg.mL-1×min-1 con un 79,9 % de degradación tras 20 min de exposición a la luz. En presencia de colorantes la estabilidad de la riboflavina mejora significativamente con el aumento de la concentración del colorante empleado; sin embargo, se encontró que el amarillo de quinoleína a bajas concentraciones (The photostabilization of Riboflavin (RF in aqueous solution was evaluated through spectral overlap. Previous studies established that wavelength at 445nm promoted RF degradation; hence dyes that exhibited high absorption performance at 445 nm were selected. The photoprotection study consisted in determining and comparing the rate constants (k0 of the RF photodegradation reactions in solutions (80 µM, both in presence and absence of dyes at different concentrations: tartrazine (40, 58, 71 y 187 µM, sunset yellow (80, 160, 442 y 1 600 µM and

  6. Effects of intercropping of oat (Avena sativa L.) with white lupin (Lupinus albus L.) on the mobility of target elements for phytoremediation and phytomining in soil solution.

    Science.gov (United States)

    Wiche, Oliver; Székely, Balazs; Kummer, Nicolai-Alexeji; Moschner, Christin; Heilmeier, Hermann

    2016-09-01

    This study aims to investigate how intercropping of oat (Avena sativa L.) with white lupin (Lupinus albus L.) affects the mobile fractions of trace metals (Fe, Mn, Pb, Cd, Th, U, Sc, La, Nd, Ge) in soil solution. Oat and white lupin were cultivated in monocultures and mixed cultures with differing oat/white lupin ratios (11% and 33% lupin, respectively). Temporal variation of soil solution chemistry was compared with the mobilization of elements in the rhizosphere of white lupin and concentrations in plant tissues. Relative to the monocrops, intercropping of oat with 11% white lupin significantly increased the concentrations of Fe, Pb, Th, La and Nd in soil solution as well as the concentrations of Fe, Pb, Th, Sc, La and Nd in tissues of oat. Enhanced mobility of the mentioned elements corresponded to a depletion of elements in the rhizosphere soil of white lupin. In mixed cultures with 33% lupin, concentrations in soil solution only slightly increased. We conclude that intercropping with 11% white lupin might be a promising tool for phytoremediation and phytomining research enhancing mobility of essential trace metals as well as elements with relevance for phytoremediation (Pb, Th) and phytomining (La, Nd, Sc) in soil.

  7. Analyse spectrale à haute résolution de signaux irrégulièrement échantillonnés : application à l'Astrophysique.

    OpenAIRE

    Bourguignon , Sébastien

    2006-01-01

    The study of many astrophysical phenomena is based on the search for periodicities from time series, as light or radial velocity curves.Because of observation constraints, astrophysical data generally suffer missing data and irregular sampling. Thus, Fourier-based spectral analysis may not be satisfactory, and widespread heuristic CLEAN deconvolution methods may lack accuracy. This thesis addresses spectral analysis as an inverse problem, where the spectrum is discretized on an arbitrarily th...

  8. Modal correlation of test and finite element results using cross orthogonality with a reduced mass matrix obtained by modal reduction and NASTRAN's Generalized Dynamic Reduction solution

    Science.gov (United States)

    Krebs, Derek; Budynas, Richard G.

    A common procedure for performing a cross orthogonality check for the purpose of modal correlation between the test and the finite element analysis results incorporates the Guyan reduction method to obtain a reduced mass matrix. This paper describes a procedure which uses NASTRAN's Generalized Dynamic Reduction solution routine which is much more accurate than the standard Guyan reduction solution and which offers the advantage of not requiring the selection of mdof. Using NASTRAN's DMAP programming methods, a modal reduction of the full analytical mass matrix is performed based on the accelerometer locations and the analytical modal matrix results. The accuracy of the procedure is illustrated in two case studies.

  9. PWR thermal-hydraulic analysis for subchannels using Petrov-Galerkin formulations of finite elements and a frontal method for the solution of linear systems

    International Nuclear Information System (INIS)

    Pereira, L.C.M.

    1991-05-01

    A methodology for thermo-hydraulic analysis of pressurized water reactor cores using a discontinuous Petrov-Galerkin formulation and a frontal method for solution of linear systems with hard disk storage is presented. this procedure aims at achieving significant economy of computer memory. the complete development of the subchannel equations is presented, beginning in the conservation equations. The cast in variational and finite element formulations is also presented. (author). 30 refs, 14 tabs

  10. Recursive Block-by-Block Integral Equation Solution for Transient Dynamic Analysis With Memory-Type Elements

    National Research Council Canada - National Science Library

    Jarque, Al

    2001-01-01

    .... Using a recursive block-by-block convolution (RBBIEF) solution to the governing nonlinear Volterra integral equation, structural base motion acting through an arbitrary number of nonlinear base isolators can be computed quickly and accurately...

  11. Solid solution or amorphous phase formation in TiZr-based ternary to quinternary multi-principal-element films

    Directory of Open Access Journals (Sweden)

    Mariana Braic

    2014-08-01

    The deposited films exhibited only solid solution (fcc, bcc or hcp or amorphous phases, no intermetallic components being detected. It was found that the hcp structure was stabilized by the presence of Hf or Y, bcc by Nb or Al and fcc by Cu. For the investigated films, the atomic size difference, mixing enthalpy, mixing entropy, Gibbs free energy of mixing and the electronegativity difference for solid solution and amorphous phases were calculated based on Miedema׳s approach of the regular solution model. It was shown that the atomic size difference and the ratio between the Gibbs free energies of mixing of the solid solution and amorphous phases were the most significant parameters controlling the film crystallinity.

  12. Chromatography of actinides on anion-exchange paper, behaviour of the elements U, Np Pu Am in acid, aqueous and alcohol-water solutions

    International Nuclear Information System (INIS)

    Collin, Michel

    1969-01-01

    A preliminary study of actinide migration on ion exchange paper has been carried out on trace amounts with a view to subsequent application in micro-analysis. The first tests have made it possible to define the factors having an effect on the migrational velocities of aqueous and alcohol-water solutions of HCl and HNO 3 . The behaviour, of actinides has then been studied in non-saline acid solutions. The results obtained for each element separately are interesting from the point of view of their mutual separation. This analytical technique has finally been applied successfully to the migration of 300 μg of uranium deposited from a 1 ml volume of solution. (author) [fr

  13. Ultraviolet A: Visible spectral absorbance of the human cornea after transepithelial soaking with dextran-enriched and dextran-free riboflavin 0.1% ophthalmic solutions.

    Science.gov (United States)

    Lombardo, Marco; Micali, Norberto; Villari, Valentina; Serrao, Sebastiano; Pucci, Giuseppe; Barberi, Riccardo; Lombardo, Giuseppe

    2015-10-01

    To evaluate the stromal concentration of 2 commercially available transepithelial riboflavin 0.1% solutions in human donor corneas with the use of spectrophotometry. University of Calabria, Rende, Italy. Experimental study. The absorbance spectra of 12 corneal tissues were measured in the 330 to 700 nm wavelength range using a purpose-designed spectrophotometry setup before and after transepithelial corneal soaking with a 15% dextran-enriched riboflavin 0.1% solution (n = 6) or a hypotonic dextran-free riboflavin 0.1% solution (n = 6). Both ophthalmic solutions contained ethylenediaminetetraacetic acid and trometamol as enhancers. In addition, 4 deepithelialized corneal tissues underwent stromal soaking with a 20% dextran-enriched riboflavin 0.1% solution and were used as controls. All the riboflavin solutions were applied topically for 30 minutes. The stromal concentration of riboflavin was quantified by analysis of absorbance spectra of the cornea collected before and after application of each solution. The mean stromal riboflavin concentration was 0.012% ± 0.003% (SD), 0.0005% ± 0.0003% (P riboflavin concentration between the 2 transepithelial solutions was statistically significant (P riboflavin. Nevertheless, riboflavin in hypotonic dextran-free solution with enhancers permeates across stroma through an intact epithelium. No author has a financial or proprietary interest in any material or method mentioned. Copyright © 2015 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

  14. Study on the influence of finite element formulation and equation of motion solution scheme on FEM analysis results based on the asymmetrically loaded plate problem

    Directory of Open Access Journals (Sweden)

    Marcin Krzeszowiec

    2015-03-01

    Full Text Available Computer simulations of physical phenomena are at the moment common both in science and industry. The possibility of finding approximate solutions for complicated systems of differential equations, mathematically describing issues in the fields of mechanics, physics or chemistry, allows for shorten design and research time, often significantly reducing the need for expensive experimental studies or costly production of prototypes. However, the mentioned prevalence of these methods, particularly the Finite Element Method, resulted in analysis outcomes to be often in advance regarded as accurate ones. The purpose of the article is to showcase, on a simple stress analysis problem, how parameters such as the density of the finite element mesh, finite element formulation or integration scheme significantly influence on the simulation results and how easy it is to end up with the results that do not hold any physical sense, despite the fact that all the basic assumptions of correct analysis (suitable boundary conditions, total system energy stored etc. have been met. The results of this study can serve as a warning against premature conclusion drawing from calculations carried out by means of FEM simulation.[b]Keywords[/b]: computational mechanics, finite element method, shell elements, numerical integration

  15. The method of space-time conservation element and solution element-applications to one-dimensional and two-dimensional time-marching flow problems

    Science.gov (United States)

    Chang, Sin-Chung; Wang, Xiao-Yen; Chow, Chuen-Yen

    1995-01-01

    A nontraditional numerical method for solving conservation laws is being developed. The new method is designed from a physicist's perspective, i.e., its development is based more on physics than numerics. Even though it uses only the simplest approximation techniques, a 2D time-marching Euler solver developed recently using the new method is capable of generating nearly perfect solutions for a 2D shock reflection problem used by Helen Yee and others. Moreover, a recent application of this solver to computational aeroacoustics (CAA) problems reveals that: (1) accuracy of its results is comparable to that of a 6th order compact difference scheme even though nominally the current solver is only of 2nd-order accuracy; (2) generally, the non-reflecting boundary condition can be implemented in a simple way without involving characteristic variables; and (3) most importantly, the current solver is capable of handling both continuous and discontinuous flows very well and thus provides a unique numerical tool for solving those flow problems where the interactions between sound waves and shocks are important, such as the noise field around a supersonic over- or under-expansion jet.

  16. Investigation on the co-precipitation of transuranium elements from alkaline solutions by the method of appearing reagents

    International Nuclear Information System (INIS)

    Krot, N.; Shilov, V.; Bessonov, A.; Budantseva, N.; Charushnikova, I.; Perminov, V.; Astafurova, L.

    1996-06-01

    Highly alkaline radioactive waste solutions originating from production of plutonium for military purposes are stored in underground tanks at the U.S. Department of Energy Hanford Site. The purification of alkaline solutions from neptunium and plutonium is important in the treatment and disposal of these wastes. This report describes scoping tests with sodium hydroxide solutions, where precipitation techniques were investigated to perform the separation. Hydroxides of iron (III), manganese (II), cobalt (II, III), and chromium (III); manganese (IV) oxide, and sodium uranate were investigated as carriers. The report describes the optimum conditions that were identified to precipitate these carriers homogeneously throughout the solution by reductive, hydrolytic, or catalytic decomposition of alkali-soluble precursor compounds by a technique called the Method of Appearing Reagents. The coprecipitation of pentavalent and hexavalent neptunium and plutonium was investigated for the candidate agents under optimum conditions and is described in this report along with the following results. Plutonium coprecipitated well with all tested materials except manganese (IV) oxide. Neptunium only coprecipitated well with uranate. The report presents a hypothesis to explain these behaviors. Further tests with more complex solution matrices must be performed

  17. Investigation on the co-precipitation of transuranium elements from alkaline solutions by the method of appearing reagents

    Energy Technology Data Exchange (ETDEWEB)

    Krot, N.; Shilov, V.; Bessonov, A.; Budantseva, N.; Charushnikova, I.; Perminov, V.; Astafurova, L. [Russian Academy of Science (Russian Federation). Inst. of Physical Chemistry

    1996-06-06

    Highly alkaline radioactive waste solutions originating from production of plutonium for military purposes are stored in underground tanks at the U.S. Department of Energy Hanford Site. The purification of alkaline solutions from neptunium and plutonium is important in the treatment and disposal of these wastes. This report describes scoping tests with sodium hydroxide solutions, where precipitation techniques were investigated to perform the separation. Hydroxides of iron (III), manganese (II), cobalt (II, III), and chromium (III); manganese (IV) oxide, and sodium uranate were investigated as carriers. The report describes the optimum conditions that were identified to precipitate these carriers homogeneously throughout the solution by reductive, hydrolytic, or catalytic decomposition of alkali-soluble precursor compounds by a technique called the Method of Appearing Reagents. The coprecipitation of pentavalent and hexavalent neptunium and plutonium was investigated for the candidate agents under optimum conditions and is described in this report along with the following results. Plutonium coprecipitated well with all tested materials except manganese (IV) oxide. Neptunium only coprecipitated well with uranate. The report presents a hypothesis to explain these behaviors. Further tests with more complex solution matrices must be performed.

  18. A matrix free, partitioned solution of fluid-structure interaction problems using finite volume and finite element methods

    CSIR Research Space (South Africa)

    Suliman, Ridhwaan

    2015-01-01

    Full Text Available A fully-coupled partitioned finite volume–finite volume and hybrid finite volume–finite element fluid-structure interaction scheme is presented. The fluid domain is modelled as a viscous incompressible isothermal region governed by the Navier...

  19. Influence of 'third' elements and structure on the results of spectral analysis of high alloyed steels and cast iron with glow discharge

    International Nuclear Information System (INIS)

    Buravlev, Yu.M.; Zamarajev, V.P.; Chernyavskaya, N.V.

    1989-01-01

    The experimental technique consists in estimation of mutual arrangement of the calibration curves obtained using standard reference materials of low-alloyed and high-alloyed (high-chrome, stainless, high-speed) steels as well as of the curves for carbon steels and cast iron differing in their structure. ARL-31000 and Polyvac E-1000 quantometers with U=1300 V, I=0.12 A and argon pressure ∼1 kPa are used. The influence of third elements is shown in shift and slope changes of the curves for abovementioned high-alloyed steels in comparison to ones for low-alloyed steels accepted as basic. The influence magnitude runs up to 10-30 relative percents and more in the case of analysis of carbon, phosphorus, sulfur, silicon and other elements and depends on the type of the element and on the alloy composition. It is shown that the contribution of structure factor caused by different alloy thermal treatment makes up 10 to 20 relative percents. The experiments showed that the increase of influence of these factors caused by their imposing as well as the weakening of this influence caused by their counteraction is possible. When analyzed alloys differ in their composition and manufacturing technology it is necessary to take into consideration the influence of these effects. (author)

  20. ABOUT SOLUTION OF MULTIPOINT BOUNDARY PROBLEMS OF TWO-DIMENSIONAL STRUCTURAL ANALYSIS WITH THE USE OF COMBINED APPLICATION OF FINITE ELEMENT METHOD AND DISCRETE-CONTINUAL FINITE ELEMENT METHOD PART 2: SPECIAL ASPECTS OF FINITE ELEMENT APPROXIMATION

    Directory of Open Access Journals (Sweden)

    Pavel A. Akimov

    2017-12-01

    Full Text Available As is well known, the formulation of a multipoint boundary problem involves three main components: a description of the domain occupied by the structure and the corresponding subdomains; description of the conditions inside the domain and inside the corresponding subdomains, the description of the conditions on the boundary of the domain, conditions on the boundaries between subdomains. This paper is a continuation of another work published earlier, in which the formulation and general principles of the approximation of the multipoint boundary problem of a static analysis of deep beam on the basis of the joint application of the finite element method and the discrete-continual finite element method were considered. It should be noted that the approximation within the fragments of a domain that have regular physical-geometric parameters along one of the directions is expedient to be carried out on the basis of the discrete-continual finite element method (DCFEM, and for the approximation of all other fragments it is necessary to use the standard finite element method (FEM. In the present publication, the formulas for the computing of displacements partial derivatives of displacements, strains and stresses within the finite element model (both within the finite element and the corresponding nodal values (with the use of averaging are presented. Boundary conditions between subdomains (respectively, discrete models and discrete-continual models and typical conditions such as “hinged support”, “free edge”, “perfect contact” (twelve basic (basic variants are available are under consideration as well. Governing formulas for computing of elements of the corresponding matrices of coefficients and vectors of the right-hand sides are given for each variant. All formulas are fully adapted for algorithmic implementation.

  1. [Corrosion of Ag-Pd-Cu alloys in saline solution. Amount of released elements and electrochemical corrosion].

    Science.gov (United States)

    Kitaoka, M

    1989-03-01

    The effect of the Pd content on corrosion and tarnish resistance in twelve experimental alloys was investigated. The alloys were prepared with a composition of Pd content from 20.1 to 30.1 at %. The composition of the alloys Ag-20% Pd, Ag-25% Pd and Ag-30% Pd was varied by adding Cu 5 wt%, 10 wt% and 15 wt% to each of them. The corrosion resistance was estimated by the amount of the released Ag, Cu and by electrochemical corrosion behavior in 0.86% NaCl solution at 37 degrees C. The tarnish resistance was assessed using a spectrophotometer. The test solutions included 0.86% NaCl solution, 0.1% Na2S solution and a mixture of 1.0% lactic acid and 0.1% Na2S, all at 37 degrees C, in sealed containers. The results are summarized as follows. The larger the amount of Pd in Ag-Pd binary alloys and Ag-Pd-Cu ternary alloys, the more stable was the release and the release rate of Ag, Cu and corrosion resistance increased in 0.86% NaCl solution. The addition of Cu to Ag-Pd binary alloys increased the release and release rate of Ag, but there was a shift of the rest potential in the noble direction. A relationship was found between the amount of Ag and Cu released from Ag-Pd-Cu ternary alloys. In this study, an increase in corrosion resistance was observed when the content of Pd in Ag-Pd binary alloys was 25 wt%. Furthermore, it was also observed that Ag-Pd-Cu ternary alloys need an additional 30 wt% Pd for corrosion resistance. Moreover, the addition of Cu must be kept lower than 10 wt%. The tarnish resistance of the twelve experimental alloys was good in 0.86% NaCl solution but was barely improved with increased in the Pd content in sulfide solution. The correlation between electrochemical corrosion behavior and tarnish resistance was not significant, but the correlation between the amount of Ag, Cu release from Ag-Pd-Cu ternary alloys and tarnish resistance was remarkable.

  2. A spectral nodal method for the solution of the Sn equations in x,y geometry for highly absorbing deep penetration problems

    International Nuclear Information System (INIS)

    Barros, R.C. de.

    1991-09-01

    Presented here is an attempt to improve the accuracy of transport nodal methods applied to deep penetration transport problems in x, y-geometry. The resulting nodal method uses the Spectral Green's Function (SGF) scheme for solving the one-dimensional transverse-integrated S N exponential nodal equations with no spatial truncation error. Based on the physics of deep penetration problems, we approximate the transverse leakage terms by approximate exponential shape functions. We show in numerical calculation that the SGF-Exponential Nodal (SGF-Exp N) method is much more accurate than other transport nodal methods for coarse-mesh deep penetration problems, specially in highly absorbing media. (author)

  3. On spectral pollution

    International Nuclear Information System (INIS)

    Llobet, X.; Appert, K.; Bondeson, A.; Vaclavik, J.

    1990-01-01

    Finite difference and finite element approximations of eigenvalue problems, under certain circumstances exhibit spectral pollution, i.e. the appearance of eigenvalues that do not converge to the correct value when the mesh density is increased. In the present paper this phenomenon is investigated in a homogeneous case by means of discrete dispersion relations: the polluting modes belong to a branch of the dispersion relation that is strongly distorted by the discretization method employed, or to a new, spurious branch. The analysis is applied to finite difference methods and to finite element methods, and some indications about how to avoiding polluting schemes are given. (author) 5 figs., 10 refs

  4. 3DMADMAC|SPECTRAL: Hardware and Software Solution for Integrated Digitization of 3D Shape, Multispectral Color and BRDF for Cultural Heritage Documentation

    Directory of Open Access Journals (Sweden)

    Robert Sitnik

    2011-12-01

    Full Text Available In this article a new 3D measurement system along with the study on 3D printing technology is presented from the perspective of quality of reproduction. In the first part of the paper the 3DMADMAC|SPECTRAL system which integrates 3D shape with additional color and angular reflectance measurement capabilities is presented (see Figure 1. The shape measurement system is based on structured light projection with the use of a DLP projector. The 3D shape measurement method is based on sinusoidal fringes and Gray codes projection. Color is being measured using multispectral images with a set of interference filters to separate spectral channels. Additionally the set up includes an array of compact light sources for measuring angular reflectance based on image analysis and 3D data processing. All three components of the integrated system use the same greyscale camera as a detector. The purpose of the system is to obtain complete information about shape, color and reflectance characteristic of mea sured surface, especially for cultural heritage objects - in order to create high quality 3D documentation. In the second part of the paper the 3D printing technology will be tested on real measured cultural heritage objects. Tests allow to assess measurement and color accuracy of reproduction by selected 3D printing technology and shed some light on how current 3D printing technology can be applied into cultural heritage.

  5. Possibilities of chemical isolation of element 106 from aqueous solutions according to the model experiments with short lived tungsten isotopes

    International Nuclear Information System (INIS)

    Szeglowski, Z.; Bruchertseifer, H.; Brudanin, V.B.

    1993-01-01

    A rapid method for continuous separation of short-lived tungsten isotopes from the lanthanides has been developed. It consists in transforming nuclear reaction products from the target by an aerosol jet to an absorber where the KCl particulates are dissolved in 0.2 M HF and percolating the product solution through three successively linked columns filled with ion exchange resins Dowex 50X8 (cationite), Dowex 1X8 (anionite) and again Dowex 50X8. 3 refs

  6. A least-squares/finite element method for the numerical solution of the Navier–Stokes-Cahn–Hilliard system modeling the motion of the contact line

    KAUST Repository

    He, Qiaolin

    2011-06-01

    In this article we discuss the numerical solution of the Navier-Stokes-Cahn-Hilliard system modeling the motion of the contact line separating two immiscible incompressible viscous fluids near a solid wall. The method we employ combines a finite element space approximation with a time discretization by operator-splitting. To solve the Cahn-Hilliard part of the problem, we use a least-squares/conjugate gradient method. We also show that the scheme has the total energy decaying in time property under certain conditions. Our numerical experiments indicate that the method discussed here is accurate, stable and efficient. © 2011 Elsevier Inc.

  7. Efficient solution of the non-linear Reynolds equation for compressible fluid using the finite element method

    DEFF Research Database (Denmark)

    Larsen, Jon Steffen; Santos, Ilmar

    2015-01-01

    An efficient finite element scheme for solving the non-linear Reynolds equation for compressible fluid coupled to compliant structures is presented. The method is general and fast and can be used in the analysis of airfoil bearings with simplified or complex foil structure models. To illustrate...... the computational performance, it is applied to the analysis of a compliant foil bearing modelled using the simple elastic foundation model. The model is derived and perturbed using complex notation. Top foil sagging effect is added to the bump foil compliance in terms of a close-form periodic function. For a foil...

  8. Influence of temperature, chloride ions and chromium element on the electronic property of passive film formed on carbon steel in bicarbonate/carbonate buffer solution

    Energy Technology Data Exchange (ETDEWEB)

    Li, D.G. [School of Materials Science and Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); Tubular Goods Research Center of CNPC, Xi' an 710065 (China)], E-mail: dangguoli78@yahoo.com.cn; Feng, Y.R.; Bai, Z.Q. [Tubular Goods Research Center of CNPC, Xi' an 710065 (China); Zhu, J.W.; Zheng, M.S. [School of Materials Science and Engineering, Xi' an Jiaotong University, Xi' an 710049 (China)

    2007-11-01

    The influences of temperature, chloride ions and chromium element on the electronic property of passive film formed on carbon steel in NaHCO{sub 3}/Na{sub 2}CO{sub 3} buffer solution are investigated by capacitance measurement and electrochemical impedance spectroscopy (EIS). The results show that the passive film appears n-type semiconductive character; with increasing the solution temperature, the addition of chromium into carbon steel and increasing the concentration of chloride ions, the slopes of Mott-Schottky plots decrease, which indicates the increment of the defect density in the passive film. EIS results show that the transfer impedance R{sub 1} and the diffusion impedance W decrease with increasing the solution temperature, with the addition of chromium into carbon steel and with increasing the chloride ions concentration. It can be concluded that the corrosion protection effect of passive film on the substrate decreases with increasing the solution temperature, adding chromium into carbon steel and increasing chloride ions concentration.

  9. The use of the spectral method within the fast adaptive composite grid method

    Energy Technology Data Exchange (ETDEWEB)

    McKay, S.M.

    1994-12-31

    The use of efficient algorithms for the solution of partial differential equations has been sought for many years. The fast adaptive composite grid (FAC) method combines an efficient algorithm with high accuracy to obtain low cost solutions to partial differential equations. The FAC method achieves fast solution by combining solutions on different grids with varying discretizations and using multigrid like techniques to find fast solution. Recently, the continuous FAC (CFAC) method has been developed which utilizes an analytic solution within a subdomain to iterate to a solution of the problem. This has been shown to achieve excellent results when the analytic solution can be found. The CFAC method will be extended to allow solvers which construct a function for the solution, e.g., spectral and finite element methods. In this discussion, the spectral methods will be used to provide a fast, accurate solution to the partial differential equation. As spectral methods are more accurate than finite difference methods, the ensuing accuracy from this hybrid method outside of the subdomain will be investigated.

  10. Light clay straw bale solutions in the contemporary housing as an element of sustainable development. Selected issues

    Directory of Open Access Journals (Sweden)

    Drozd Wojciech

    2016-01-01

    Full Text Available The article presents issues related to the solutions with light clay and straw bale in the contemporary housing. Building using straw bale and light clay is simple, eco-friendly and accessible to all. It fits in with the idea of sustainable development, supporting local businesses and giving people the opportunity to integrate in the design and construction of the house. The article presents the thermal analysis for both walls made of straw bale and of light clay. The analysis showed a very good performance. All positive aspects allow treating straw and light clay as a viable alternative to the commonly used technologies for erecting buildings.

  11. Effect of recasting on element release from base metal dental casting alloys in artificial saliva and saline solution

    Science.gov (United States)

    Jayaprakash, K.; Kumar Shetty, K. Harish; Shetty, A. Nityananda; Nandish, Bantarahalli Thopegowda

    2017-01-01

    Aim: The aim of this study was to quantitatively estimate the concentration of ion release from recasted base metal alloys in various pH conditions using atomic absorption spectroscopy (AAS). Materials and Methods: Specimens of commercially available dental casting alloys (cobalt [Co]-chromium [Cr] and nickel [Ni]- chromium [Cr]) were prepared using lost-wax casting techniques and were stored in the test solution for 1 week and 4 weeks, and ions released during chemical corrosion were detected using AAS. Results: An increase in the quantity of ion release was observed with recasting. These changes were higher after twice recasting in Ni-Cr alloy. PMID:29279626

  12. Chemical analysis of rare earth elements

    International Nuclear Information System (INIS)

    Tsukahara, Ryoichi; Sakoh, Takefumi; Nagai, Iwao

    1994-01-01

    Recently attention has been paid to ICP-AES or ICP-MS, and the reports on the analysis of rare earth elements by utilizing these methods continue to increase. These reports have become to take about 30% of the reports on rare earth analysis, and this is because these methods are highly sensitive to rare earth elements, and also these methods have spread widely. In ICP-AES and ICP-MS, mostly solution samples are measured, therefore, solids must be made into solution. At the time of quantitatively determining the rare earth elements of low concentration, separation and concentration are necessary. Referring to the literatures reported partially in 1990 and from 1991 to 1993, the progress of ICP-AES and ICP-MS is reported. Rare earth oxides and the alloys containing rare earth elements are easily decomposed with acids, but the decomposition of rocks is difficult, and its method is discussed. The separation of the rare earth elements from others in geochemical samples, cation exchange process is frequently utilized. Also solvent extraction process has been studied. For the separation of rare earth elements mutually, chromatography is used. The spectral interference in spectral analysis was studied. The comparison of these methods with other methods is reported. (K.I)

  13. Chemical and spectral behavior of nitric acid in aqueous sulfuric acid solutions: Absorption spectrum and molar absorption coefficient of nitronium ion

    Science.gov (United States)

    Ershov, Boris G.; Panich, Nadezhda M.

    2018-01-01

    The chemical species formed from nitric acid in aqueous solutions of sulfuric acid (up to 18.0 mol L- 1) were studied by optical spectroscopy method. The concentration region of nitronium ion formation was identified and NO2+ ion absorption spectrum was measured (λmax ≤ 190 nm and ε190 = 1040 ± 50 mol- 1 L cm- 1).

  14. Application of Mass Lumped Higher Order Finite Elements

    International Nuclear Information System (INIS)

    J. Chen, H.R. Strauss, S.C. Jardin, W. Park, L.E. Sugiyama, G. Fu, J. Breslau

    2005-01-01

    There are many interesting phenomena in extended-MHD such as anisotropic transport, mhd, 2-fluid effects stellarator and hot particles. Any one of them challenges numerical analysts, and researchers are seeking for higher order methods, such as higher order finite difference, higher order finite elements and hp/spectral elements. It is true that these methods give more accurate solution than their linear counterparts. However, numerically they are prohibitively expensive. Here we give a successful solution of this conflict by applying mass lumped higher order finite elements. This type of elements not only keep second/third order accuracy but also scale closely to linear elements by doing mass lumping. This is especially true for second order lump elements. Full M3D and anisotropic transport models are studied

  15. Finite-element solution to multidimensional multisource electromagnetic problems in the frequency domain using non-conforming meshes

    Science.gov (United States)

    Soloveichik, Yury G.; Persova, Marina G.; Domnikov, Petr A.; Koshkina, Yulia I.; Vagin, Denis V.

    2018-03-01

    We propose an approach to solving multisource induction logging problems in multidimensional media. According to the type of induction logging tools, the measurements are performed in the frequency range of 10 kHz to 14 MHz, transmitter-receiver offsets vary in the range of 0.5-8 m or more, and the trajectory length is up to 1 km. For calculating the total field, the primary-secondary field approach is used. The secondary field is calculated with the use of the finite-element method (FEM), irregular non-conforming meshes with local refinements and a direct solver. The approach to constructing basis functions with the continuous tangential components (from Hcurl(Ω)) on the non-conforming meshes from the standard shape vector functions is developed. On the basis of this method, the algorithm of generating global matrices and a vector of the finite-element equation system is proposed. We also propose the method of grouping the logging tool positions, which makes it possible to significantly increase the computational effectiveness. This is achieved due to the compromise between the possibility of using the 1-D background medium, which is very similar to the investigated multidimensional medium for a small group, and the decrease in the number of the finite-element matrix factorizations with the increasing number of tool positions in one group. For calculating the primary field, we propose the method based on the use of FEM. This method is highly effective when the 1-D field is required to be calculated at a great number of points. The use of this method significantly increases the effectiveness of the primary-secondary field approach. The proposed approach makes it possible to perform modelling both in the 2.5-D case (i.e. without taking into account a borehole and/or invasion zone effect) and the 3-D case (i.e. for models with a borehole and invasion zone). The accuracy of numerical results obtained with the use of the proposed approach is compared with the one

  16. Implicit Solution of the Four-field Extended-magnetohydroynamic Equations using High-order High-continuity Finite Elements

    Energy Technology Data Exchange (ETDEWEB)

    S.C. Jardin; J.A. Breslau

    2004-12-17

    Here we describe a technique for solving the four-field extended-magnetohydrodynamic (MHD) equations in two dimensions. The introduction of triangular high-order finite elements with continuous first derivatives (C{sup 1} continuity) leads to a compact representation compatible with direct inversion of the associated sparse matrices. The split semi-implicit method is introduced and used to integrate the equations in time, yielding unconditional stability for arbitrary time step. The method is applied to the cylindrical tilt mode problem with the result that a non-zero value of the collisionless ion skin depth will increase the growth rate of that mode. The effect of this parameter on the reconnection rate and geometry of a Harris equilibrium and on the Taylor reconnection problem is also demonstrated. This method forms the basis for a generalization to a full extended-MHD description of the plasma with six, eight, or more scalar fields.

  17. Factors controlling the chemical composition of colloidal and dissolved fractions in soil solutions and the mobility of trace elements in soils

    Science.gov (United States)

    Gangloff, Sophie; Stille, Peter; Schmitt, Anne-Désirée; Chabaux, François

    2016-09-01

    The objectives of this study were to determine the processes and physico-chemical conditions that affect the composition of the soil solutions of a forest soil and to elucidate their impact on the transport of major and trace elements through the colloidal (0.2 μm to 5 kDa) and dissolved (soil. All experiments were performed with soil solutions obtained using lysimeter plates situated on an experimental spruce parcel of the Strengbach catchment (Northeastern France). The surface samples filtered at 0.2 μm facilitated the examination of the influence of litter decomposition on the chemical composition of the upper soil solutions. The impact of the soils biogeochemical conditions (pH, moisture, temperature, oxic or anoxic conditions) on litter decomposition was also examined. More particularly, the increase in NH4+ and NO2- compounds in some of the soil solutions points to denitrification processes in an anoxic environment. Thus, under anoxic conditions, the soil solution is enriched in Ca, P, Mn and Zn, whereas under oxic conditions it is enriched in Al and Fe. The physico-chemical conditions are more seasonally dependent in the upper soil horizons than in the deeper ones and have an impact on the variability of the chemical composition of the soil solutions. The colloidal and dissolved fractions of the soil solutions were obtained by tangential flow ultra-filtration. The experimental results reveal that nutrients, such as NO3- and P, are primarily in the dissolved fraction and consequently bioavailable; secondary minerals may be dissolved and/or precipitate in the colloidal fraction, such as pyromorphite (Pb5(PO4)3(OH, Cl, F)). The results further indicate that microbial activity influences the composition of the colloidal and dissolved fractions, and possibly enriches the colloidal fraction in Ca, Mn and P, diminishes the concentrations of Pb, V, Cr and Fe in the dissolved fraction, and changes the structure of organic carbon (OC). These results are important

  18. Contribution to the study of uranium migration and some trace elements in solution from Pocos de Caldas uranium mining

    International Nuclear Information System (INIS)

    Zenaro, R.

    1989-01-01

    It was studied the chemical composition of ground water from four boreholes as a contribution to the hydrogeochemical studies in the Pocos de Caldas uranium mining. Methods for water analyses were selected and optimized in order to determine the main anions, specially the ones which form stable complexes with uranium ions. Fluoride and chloride were determined by potentiometry; phosphate, nitrate and silicate by spectrophotometry. Cations were determined by atomic absorption spectrophotometry flame emission and argon plasma emission excited by continuous current arch (DCP). Uranium was determined by fluorimetry with a concentration range from 3 to 7 ppb and its distribution calculated among the different species into solution through the measures of pH, Eh, anion amounts and stability of their respective complexes. (author) [pt

  19. Radiographic element

    International Nuclear Information System (INIS)

    Abbott, T.I.; Jones, C.G.

    1983-01-01

    Radiographic elements are disclosed having first and second silver halide emulsion layers comprised of a dispersing medium and radiation-sensitive silver halide grains, and a support interposed between said silver halide emulsion layers capable of transmitting radiation to which said second silver halide emulsion layer is responsive. These elements are characterized in that at least said first silver halide emulsion layer contains tabular silver halide grains and spectral sensitizing dye adsorbed to the surface of the grains. Crossover can be improved in relation to the imaging characteristics. (author)

  20. DISTRIBUTION OF LANTHANIDE AND ACTINIDE ELEMENTS BETWEEN BIS-(2-ETHYLHEXYL)PHOSPHORIC ACID AND BUFFERED LACTATE SOLUTIONS CONTAINING SELECTED COMPLEXANTS

    Energy Technology Data Exchange (ETDEWEB)

    Rudisill, Tracy S.; Diprete, David P.; Thompson, Major C.

    2013-04-15

    With the renewed interest in the closure of the nuclear fuel cycle, the TALSPEAK process is being considered for the separation of Am and Cm from the lanthanide fission products in a next generation reprocessing plant. However, an efficient separation requires tight control of the pH which likely will be difficult to achieve on a large scale. To address this issue, we measured the distribution of lanthanide and actinide elements between aqueous and organic phases in the presence of complexants which were potentially less sensitive to pH control than the diethylenetriaminepentaacetic (DTPA) used in the process. To perform the extractions, a rapid and accurate method was developed for measuring distribution coefficients based on the preparation of lanthanide tracers in the Savannah River National Laboratory neutron activation analysis facility. The complexants tested included aceto-, benzo-, and salicylhydroxamic acids, N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine (TPEN), and ammonium thiocyanate (NH{sub 4}SCN). The hydroxamic acids were the least effective of the complexants tested. The separation factors for TPEN and NH{sub 4}SCN were higher, especially for the heaviest lanthanides in the series; however, no conditions were identified which resulted in separations factors which consistently approached those measured for the use of DTPA.

  1. Spectral Pollution

    OpenAIRE

    Davies, E B; Plum, M

    2003-01-01

    We discuss the problems arising when computing eigenvalues of self-adjoint operators which lie in a gap between two parts of the essential spectrum. Spectral pollution, i.e. the apparent existence of eigenvalues in numerical computations, when no such eigenvalues actually exist, is commonplace in problems arising in applied mathematics. We describe a geometrically inspired method which avoids this difficulty, and show that it yields the same results as an algorithm of Zimmermann and Mertins.

  2. The Radiation Problem from a Vertical Hertzian Dipole Antenna above Flat and Lossy Ground: Novel Formulation in the Spectral Domain with Closed-Form Analytical Solution in the High Frequency Regime

    Directory of Open Access Journals (Sweden)

    K. Ioannidi

    2014-01-01

    Full Text Available We consider the problem of radiation from a vertical short (Hertzian dipole above flat lossy ground, which represents the well-known “Sommerfeld radiation problem” in the literature. The problem is formulated in a novel spectral domain approach, and by inverse three-dimensional Fourier transformation the expressions for the received electric and magnetic (EM field in the physical space are derived as one-dimensional integrals over the radial component of wavevector, in cylindrical coordinates. This formulation appears to have inherent advantages over the classical formulation by Sommerfeld, performed in the spatial domain, since it avoids the use of the so-called Hertz potential and its subsequent differentiation for the calculation of the received EM field. Subsequent use of the stationary phase method in the high frequency regime yields closed-form analytical solutions for the received EM field vectors, which coincide with the corresponding reflected EM field originating from the image point. In this way, we conclude that the so-called “space wave” in the literature represents the total solution of the Sommerfeld problem in the high frequency regime, in which case the surface wave can be ignored. Finally, numerical results are presented, in comparison with corresponding numerical results based on Norton’s solution of the problem.

  3. Spectral characteristics change of ethanol, ethanol-water solutions of coumarins in the presence of some metal ions under gamma-irradiation

    International Nuclear Information System (INIS)

    Antropova, I.G.; Zimina, G.M.

    2012-01-01

    To reveal the medium effect on radiation-chemical transformations of coumarins as well as on their antioxidant activity the absorption spectroscopy has been used to study the behaviour of coumarins and their Cu 2+ , Fe 2+ , Co 2+ , Zn 2+ complexes in ethanol and ethanol-water solutions. The samples have been gamma-irradiated within 0,2-50 kGy dose range. Coumarins and their complexes are differ greatly in radiation stability: at radiation doses up to ∼ 1 kGy complexes content decreases by 60% and coumarins one only by 10%. It is shown, that at the expense of complex formation accepting ability of coumarins increases what testifies to higher radiosensitivity of metal complexes to ionizing radiations [ru

  4. Asymptotics with respect to the spectral parameter and Neumann series of Bessel functions for solutions of the one-dimensional Schr\\"odinger equation

    OpenAIRE

    Kravchenko, Vladislav V.; Torba, Sergii M.

    2017-01-01

    A representation for a solution $u(\\omega,x)$ of the equation $-u"+q(x)u=\\omega^2 u$, satisfying the initial conditions $u(\\omega,0)=1$, $u'(\\omega,0)=i\\omega$ is derived in the form \\[ u(\\omega,x)=e^{i\\omega x}\\left( 1+\\frac{u_1(x)}{\\omega}+ \\frac{u_2(x)}{\\omega^2}\\right) +\\frac{e^{-i\\omega x}u_3(x)}{\\omega^2}-\\frac{1}{\\omega^2}\\sum_{n=0}^{\\infty} i^{n}\\alpha_n(x)j_n(\\omega x), \\] where $u_m(x)$, $m=1,2,3$ are given in a closed form, $j_n$ stands for a spherical Bessel function of order $n$ ...

  5. A finite element solution for the anisotropic biphasic theory of tissue-equivalent mechanics: the effect of contact guidance on isometric cell traction measurement.

    Science.gov (United States)

    Barocas, V H; Tranquillo, R T

    1997-08-01

    We present a method for solving the governing equations from our anisotropic biphasic theory of tissue-equivalent mechanics (Barocas and Tranquillo, 1997) for axisymmetric problems. A mixed finite element method is used for discretization of the spatial derivatives, and the DASPK subroutine (Brown et al., 1994) is used to solve the resulting differential-algebraic equation system. The preconditioned GMRES algorithm, using a preconditioner based on an extension of Dembo's (1994) adaptation of the Uzawa algorithm for viscous flows, provides an efficient and scaleable solution method, with the finite element method discretization being first-order accurate in space. In the cylindrical isometric cell traction assay, the chosen test problem, a cylindrical tissue equivalent is adherent at either end to fixed circular platens. As the cells exert traction on the collagen fibrils, the force required to maintain constant sample length, or load, is measured. However, radial compaction occurs during the course of the assay, so that the cell and network concentrations increase and collagen fibrils become aligned along the axis of the cylinder, leading to cell alignment along the axis. Our simulations predict that cell contact guidance leads to an increase in the load measured in the assay, but this effect is diminished by the tendency of contact guidance to inhibit radial compaction of the sample, which in turn reduces concentrations and hence the measured load.

  6. High-speed parallel solution of the neutron diffusion equation with the hierarchical domain decomposition boundary element method incorporating parallel communications

    International Nuclear Information System (INIS)

    Tsuji, Masashi; Chiba, Gou

    2000-01-01

    A hierarchical domain decomposition boundary element method (HDD-BEM) for solving the multiregion neutron diffusion equation (NDE) has been fully parallelized, both for numerical computations and for data communications, to accomplish a high parallel efficiency on distributed memory message passing parallel computers. Data exchanges between node processors that are repeated during iteration processes of HDD-BEM are implemented, without any intervention of the host processor that was used to supervise parallel processing in the conventional parallelized HDD-BEM (P-HDD-BEM). Thus, the parallel processing can be executed with only cooperative operations of node processors. The communication overhead was even the dominant time consuming part in the conventional P-HDD-BEM, and the parallelization efficiency decreased steeply with the increase of the number of processors. With the parallel data communication, the efficiency is affected only by the number of boundary elements assigned to decomposed subregions, and the communication overhead can be drastically reduced. This feature can be particularly advantageous in the analysis of three-dimensional problems where a large number of processors are required. The proposed P-HDD-BEM offers a promising solution to the deterioration problem of parallel efficiency and opens a new path to parallel computations of NDEs on distributed memory message passing parallel computers. (author)

  7. Reactions of nitrogen oxides with heme models. Spectral and kinetic study of nitric oxide reactions with solid and solute Fe(III)(TPP)(NO3).

    Science.gov (United States)

    Kurtikyan, Tigran S; Gulyan, Gurgen M; Martirosyan, Garik G; Lim, Mark D; Ford, Peter C

    2005-05-04

    The reaction(s) of nitric oxide (nitrogen monoxide) gas with sublimed layers containing the nitrato iron(III) complex Fe(III)(TPP)(eta(2)-O(2)NO) (1, TPP = meso-tetraphenyl porphyrinate(2)(-)) leads to formation of several iron porphyrin species that are ligated by various nitrogen oxides. The eventual products of these low-temperature solid-state reactions are the nitrosyl complex Fe(TPP)(NO), the nitro-nitrosyl complex Fe(TPP)(NO(2))(NO), and 1 itself, and the relative final quantities of these were functions of the NO partial pressure. It is particularly notable that isotope labeling experiments show that the nitrato product is not simply unreacted 1 but is the result of a series of transformations taking place in the layered material. Thus, the nitrato complex formed from solid Fe(TPP)(eta(2)-O(2)NO) maintained under a (15)NO atmosphere was found to be the labeled analogue Fe(TPP)(eta(2)-O(2)(15)NO). The reactivities of the layered solids are compared to the behaviors of the same species in ambient temperature solutions. To interpret the reactions of the labeled nitrogen oxides, the potential exchange reactions between N(2)O(3) and (15)NO were examined, and complete isotope scrambling was observed between these species under the reaction conditions (T = 140 K). Overall it was concluded from isotope labeling experiments that the sequence of reactions is initiated by reaction of 1 with NO to give the nitrato nitrosyl complex Fe(TPP)(eta(1)-ONO(2))(NO) (2) as an intermediate. This is followed by a reaction in the presence of excess NO that is equivalent to the loss of the nitrate radical NO(3)(*)( )()to give Fe(TPP)(NO) as another transient species. A plausible pathway involving NO attack on the coordinated nitrate of 2 resulting in the release of N(2)O(4) concerted with electron transfer to the metal center is proposed.

  8. The distribution of soluble radionuclide-relevant trace elements between salt minerals and saline solutions; Die Verteilung loeslicher Radionuklid-relevanter Spurenelemente zwischen Salzmineralen und salinaren Loesungen

    Energy Technology Data Exchange (ETDEWEB)

    Voss, Ina

    2015-07-16

    The research platform ENTRIA (Disposal options for radioactive residues Interdisciplinary analyses and development of evaluation principles) includes the sub-project ''Final disposal in deep geological formations without any arrangements for retrieval''. This approach considers rock salt (beside clay and granite) as host rock formation for disposal of heat-producing long-live waste. Most rock salt formations contain Mg-rich brines derived from highly evolved sea water evaporation processes now included in the rock salt mass. If such brines get access to metal-canister corrosion will allow release of soluble nuclides to the brine. In this scenario, it cannot be excluded that contaminated brines leave the deep seated disposal area and move along geological or technical migration pathways towards the rock salt/cap rock contact. The temperature of the brine will drop from near 80 C to 25 or 30 C. The deceasing temperature of the brine causes precipitation of magnesian chloride and sulfate phase in equilibrium with the brine. In order to understand the salt precipitation and the retention mechanism of dissolved trace elements experiments have been set up which allow formation of sylvite, carnallite, kainite, and hydrous Mg-sulphates under controlled conditions. The retention capacity of crystallizing salt minerals based occurring in magnesian brine solutions at decreasing temperature within a salt dome is best measured as the distribution coefficient D. This concept assumes incorporation of trace elements into the lattice of salt minerals. The distribution coefficients of the trace elements, Rb, Cs, Co, Ni, Zn, Li and B between sylvite, carnallite, kainite, and MgSO{sub 4} phases have been determined at experimental temperatures of 25, 35, 55 and 83 C. The results clearly indicate the following range of distribution coefficients (D): Sylvite D > 1 Rb and Br, D < 1 Co, Ni, Zn, Li and B, Carnallite D > 1 Rb and Cs, D < 1 Co, Ni, Zn, Li and B, Kainite D

  9. Spectral filtering for plant production

    Energy Technology Data Exchange (ETDEWEB)

    Young, R.E.; McMahon, M.J.; Rajapakse, N.C.; Becoteau, D.R.

    1994-12-31

    Research to date suggests that spectral filtering can be an effective alternative to chemical growth regulators for altering plant development. If properly implemented, it can be nonchemical and environmentally friendly. The aqueous CuSO{sub 4}, and CuCl{sub 2} solutions in channelled plastic panels have been shown to be effective filters, but they can be highly toxic if the solutions contact plants. Some studies suggest that spectral filtration limited to short EOD intervals can also alter plant development. Future research should be directed toward confirmation of the influence of spectral filters and exposure times on a broader range of plant species and cultivars. Efforts should also be made to identify non-noxious alternatives to aqueous copper solutions and/or to incorporate these chemicals permanently into plastic films and panels that can be used in greenhouse construction. It would also be informative to study the impacts of spectral filters on insect and microbal populations in plant growth facilities. The economic impacts of spectral filtering techniques should be assessed for each delivery methodology.

  10. Discontinuous finite element and characteristics methods for neutrons transport equation solution in heterogeneous grids; Resolution de l'equation du transport des neutrons par les methodes des elements finis discontinus et des caracteristiques structurees appliquees a des maillages heterogenes

    Energy Technology Data Exchange (ETDEWEB)

    Masiello, E

    2006-07-01

    The principal goal of this manuscript is devoted to the investigation of a new type of heterogeneous mesh adapted to the shape of the fuel pins (fuel-clad-moderator). The new heterogeneous mesh guarantees the spatial modelling of the pin-cell with a minimum of regions. Two methods are investigated for the spatial discretization of the transport equation: the discontinuous finite element method and the method of characteristics for structured cells. These methods together with the new representation of the pin-cell result in an appreciable reduction of calculation points. They allow an exact modelling of the fuel pin-cell without spatial homogenization. A new synthetic acceleration technique based on an angular multigrid is also presented for the speed up of the inner iterations. These methods are good candidates for transport calculations for a nuclear reactor core. A second objective of this work is the application of method of characteristics for non-structured geometries to the study of double heterogeneity problem. The letters is characterized by fuel material with a stochastic dispersion of heterogeneous grains, and until now was solved with a model based on collision probabilities. We propose a new statistical model based on renewal-Markovian theory, which makes possible to take into account the stochastic nature of the problem and to avoid the approximations of the collision probability model. The numerical solution of this model is guaranteed by the method of characteristics. (author)

  11. Partitioning of platinum-group elements (PGE) and chalcogens (Se, Te, As, Sb, Bi) between monosulfide-solid solution (MSS), intermediate solid solution (ISS) and sulfide liquid at controlled fO2-fS2 conditions

    Science.gov (United States)

    Liu, Yanan; Brenan, James

    2015-06-01

    In order to better understand the behavior of highly siderophile elements (HSEs: Os, Ir, Ru, Rh, Pt, Pd, Au, Re), Ag, Pb and chalcogens (As, Se, Sb, Te and Bi) during the solidification of sulfide magmas, we have conducted a series of experiments to measure partition coefficients (D values) between monosulfide solid solution (MSS) and sulfide melt, as well as MSS and intermediate solid solution (ISS), at 0.1 MPa and 860-926 °C, log fS2 -3.0 to -2.2 (similar to the Pt-PtS buffer), with fO2 controlled at the fayalite-magnetite-quartz (FMQ) buffer. The IPGEs (Os, Ir, Ru), Rh and Re are found to be compatible in MSS relative to sulfide melt with D values ranging from ∼20 to ∼5, and DRe/DOs of ∼0.5. Pd, Pt, Au, Ag, Pb, as well as the chalcogens, are incompatible in MSS, with D values ranging from ∼0.1 to ∼1 × 10-3. For the same metal/sulfur ratio, D values for the IPGEs, Rh and Re are systematically larger than most past studies, correlating with higher oxygen content in the sulfide liquid, reflecting the significant effect of oxygen on increasing the activity coefficients for these elements in the melt phase. MSS/ISS partitioning experiments reveal that Ru, Os, Ir, Rh and Re are partitioned into MSS by a factor of >50, whereas Pd, Pt, Ag, Au and the chalcogens partition from weakly (Se, As) to strongly (Ag, Au) into ISS. Uniformly low MSS- and ISS- melt partition coefficients for the chalcogens, Pt, Pd, Ag and Au will lead to enrichment in the residual sulfide liquid, but D values are generally too large to reach early saturation in Pt-Pd-chalcogen-rich accessory minerals, based on current solubility estimates. Instead, these phases likely precipitate at the last dregs of crystallization. Modeled evolution curves for the PGEs and chalcogens are in reasonably good agreement with whole-rock sulfide compositions for the McCreedy East deposit (Sudbury, Ontario), consistent with an origin by crystallization of MSS, then MSS + ISS from sulfide magma.

  12. Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.

    Science.gov (United States)

    Lin, Clement; Mathad, Raveendra I; Zhang, Zhenjiang; Sidell, Neil; Yang, Danzhou

    2014-05-01

    XR5944, a deoxyribonucleic acid (DNA) bis-intercalator with potent anticancer activity, can bind the estrogen response element (ERE) sequence to inhibit estrogen receptor-α activities. This novel mechanism of action may be useful for overcoming drug resistance to currently available antiestrogen treatments, all of which target the hormone-receptor complex. Here we report the nuclear magnetic resonance solution structure of the 2:1 complex of XR5944 with the naturally occurring TFF1-ERE, which exhibits important and unexpected features. In both drug-DNA complexes, XR5944 binds strongly at one intercalation site but weakly at the second site. The sites of intercalation within a native promoter sequence appear to be context and sequence dependent. The binding of one drug molecule influences the binding site of the second. Our structures underscore the fact that the DNA binding of a bis-intercalator is directional and different from the simple addition of two single intercalation sites. Our study suggests that improved XR5944 bis-intercalators targeting ERE may be designed through optimization of aminoalkyl linker and intercalation moieties at the weak binding sites. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

  13. Spectral Decomposition Algorithm (SDA)

    Data.gov (United States)

    National Aeronautics and Space Administration — Spectral Decomposition Algorithm (SDA) is an unsupervised feature extraction technique similar to PCA that was developed to better distinguish spectral features in...

  14. Solution NMR Structure of Hypothetical Protein CV_2116 Encoded by a Viral Prophage Element in Chromobacterium violaceum

    Directory of Open Access Journals (Sweden)

    Yunhuang Yang

    2012-06-01

    Full Text Available CV_2116 is a small hypothetical protein of 82 amino acids from the Gram-negative coccobacillus Chromobacterium violaceum. A PSI-BLAST search using the CV_2116 sequence as a query identified only one hit (E = 2e−07 corresponding to a hypothetical protein OR16_04617 from Cupriavidus basilensis OR16, which failed to provide insight into the function of CV_2116. The CV_2116 gene was cloned into the p15TvLic expression plasmid, transformed into E. coli, and 13C- and 15N-labeled NMR samples of CV_2116 were overexpressed in E. coli and purified for structure determination using NMR spectroscopy. The resulting high-quality solution NMR structure of CV_2116 revealed a novel α + β fold containing two anti-parallel β -sheets in the N-terminal two-thirds of the protein and one α-helix in the C-terminal third of the protein. CV_2116 does not belong to any known protein sequence family and a Dali search indicated that no similar structures exist in the protein data bank. Although no function of CV_2116 could be derived from either sequence or structural similarity searches, the neighboring genes of CV_2116 encode various proteins annotated as similar to bacteriophage tail assembly proteins. Interestingly, C. violaceum exhibits an extensive network of bacteriophage tail-like structures that likely result from lateral gene transfer by incorporation of viral DNA into its genome (prophages due to bacteriophage infection. Indeed, C. violaceum has been shown to contain four prophage elements and CV_2116 resides in the fourth of these elements. Analysis of the putative operon in which CV_2116 resides indicates that CV_2116 might be a component of the bacteriophage tail-like assembly that occurs in C. violaceum.

  15. Spectral difference methods for solving the differential equations of chemical physics

    Science.gov (United States)

    Mazziotti, David A.

    2002-08-01

    Spectral differences [D. A. Mazziotti, Chem. Phys. Lett. 299, 473 (1999)] is a family of techniques for solving differential equations in which the summation in the numerical derivative is accelerated to produce a matrix representation that is not only exponentially convergent like the discrete variable representation (DVR) and other spectral methods but also sparse like traditional finite differences and finite elements. Building upon important work by Boyd [Comput. Methods Appl. Mech. Eng. 116, 1 (1994)] and Gray and Goldfield [J. Chem. Phys. 115, 8331 (2001)], we explore a new class of spectral difference methods which yields solutions that are more accurate than high-order finite differences by several orders of magnitude. With the generating weight for Gegenbauer polynomials we design a new spectral difference method where the limits of an adjustable parameter alpha generate both finite differences (alpha=infinity), emphasizing the low Fourier frequencies, and a truncated sinc-DVR (alpha=0), emphasizing all Fourier frequencies below the aliasing limit of the grid. A range of choices for alpha[set membership]0,infinity produces solutions which are significantly better than the equivalent order of finite differences. We compare the Gegenbauer-weighted spectral differences with methods by Boyd as well as Gray and Goldfield which employ a hyperbolic secant and a step function as frequency weights, respectively. The solutions from the Gegenbauer- and the sech-weighted differences are shown to be less sensitive to parameter selection than the step-weighted differences. We illustrate all of the spectral difference methods through vibrational and quantum control calculations with diatomic iodine and the van der Waals cluster NeCO. Spectral differences also have important applications in molecular dynamics and electronic structure as well as other areas of science and engineering.

  16. Spectral Imaging by Upconversion

    DEFF Research Database (Denmark)

    Dam, Jeppe Seidelin; Pedersen, Christian; Tidemand-Lichtenberg, Peter

    2011-01-01

    We present a method to obtain spectrally resolved images using upconversion. By this method an image is spectrally shifted from one spectral region to another wavelength. Since the process is spectrally sensitive it allows for a tailored spectral response. We believe this will allow standard sili...... silicon based cameras designed for visible/near infrared radiation to be used for spectral images in the mid infrared. This can lead to much lower costs for such imaging devices, and a better performance.......We present a method to obtain spectrally resolved images using upconversion. By this method an image is spectrally shifted from one spectral region to another wavelength. Since the process is spectrally sensitive it allows for a tailored spectral response. We believe this will allow standard...

  17. Rectangular spectral collocation

    KAUST Repository

    Driscoll, Tobin A.

    2015-02-06

    Boundary conditions in spectral collocation methods are typically imposed by removing some rows of the discretized differential operator and replacing them with others that enforce the required conditions at the boundary. A new approach based upon resampling differentiated polynomials into a lower-degree subspace makes differentiation matrices, and operators built from them, rectangular without any row deletions. Then, boundary and interface conditions can be adjoined to yield a square system. The resulting method is both flexible and robust, and avoids ambiguities that arise when applying the classical row deletion method outside of two-point scalar boundary-value problems. The new method is the basis for ordinary differential equation solutions in Chebfun software, and is demonstrated for a variety of boundary-value, eigenvalue and time-dependent problems.

  18. Forward problem solution as the operator of filtered and back projection matrix to reconstruct the various method of data collection and the object element model in electrical impedance tomography

    Energy Technology Data Exchange (ETDEWEB)

    Ain, Khusnul [Engineering Physics Program, ITB, Bandung - Indonesia (Indonesia); Physics Department - Airlangga University, Surabaya – Indonesia, khusnulainunair@yahoo.com (Indonesia); Kurniadi, Deddy; Suprijanto [Engineering Physics Program, ITB, Bandung - Indonesia (Indonesia); Santoso, Oerip [Informatics Program, ITB, Bandung - Indonesia (Indonesia); Wibowo, Arif [Physics Department - Airlangga University, Surabaya – Indonesia, khusnulainunair@yahoo.com (Indonesia)

    2015-04-16

    Back projection reconstruction has been implemented to get the dynamical image in electrical impedance tomography. However the implementation is still limited in method of adjacent data collection and circular object element model. The study aims to develop the methods of back projection as reconstruction method that has the high speed, accuracy, and flexibility, which can be used for various methods of data collection and model of the object element. The proposed method uses the forward problem solution as the operator of filtered and back projection matrix. This is done through a simulation study on several methods of data collection and various models of the object element. The results indicate that the developed method is capable of producing images, fastly and accurately for reconstruction of the various methods of data collection and models of the object element.

  19. Differentiating the Bishop ash bed and related tephra layers by elemental-based similarity coefficients of volcanic glass shards using solution inductively coupled plasma-mass spectrometry (S-ICP-MS)

    Science.gov (United States)

    Knott, J.R.; Sarna-Wojcicki, A. M.; Montanez, I.P.; Wan, E.

    2007-01-01

    Volcanic glass samples from the same volcanic center (intra-source) often have a similar major-element composition. Thus, it can be difficult to distinguish between individual tephra layers, particularly when using similarity coefficients calculated from electron microprobe major-element measurements. Minor/trace element concentrations in glass can be determined by solution inductively coupled plasma mass spectrometry (S-ICP-MS), but have not been shown as suitable for use in large tephrochronologic databases. Here, we present minor/trace-element concentrations measured by S-ICP-MS and compare these data by similarity coefficients, the method commonly used in large databases. Trial samples from the Bishop Tuff, the upper and lower tuffs of Glass Mountain and the tuffs of Mesquite Spring suites from eastern California, USA, which have an indistinguishable major-element composition, were analyzed using S-ICP-MS. The resulting minor/trace element similarity coefficients clearly separated the suites of tephra layers and, in most cases, individual tephra layers within each suite. Comparisons with previous instrumental neutron activation analysis (INAA) elemental measurements were marginally successful. This is important step toward quantitative correlation in large tephrochronologic databases to achieve definitive identification of volcanic glass samples and for high-resolution age determinations. ?? 2007 Elsevier Ltd and INQUA.

  20. Spectral methods in numerical plasma simulation

    International Nuclear Information System (INIS)

    Coutsias, E.A.; Hansen, F.R.; Huld, T.; Knorr, G.; Lynov, J.P.

    1989-01-01

    An introduction is given to the use of spectral methods in numerical plasma simulation. As examples of the use of spectral methods, solutions to the two-dimensional Euler equations in both a simple, doubly periodic region, and on an annulus will be shown. In the first case, the solution is expanded in a two-dimensional Fourier series, while a Chebyshev-Fourier expansion is employed in the second case. A new, efficient algorithm for the solution of Poisson's equation on an annulus is introduced. Problems connected to aliasing and to short wavelength noise generated by gradient steepening are discussed. (orig.)

  1. Spectral Methods in Numerical Plasma Simulation

    DEFF Research Database (Denmark)

    Coutsias, E.A.; Hansen, F.R.; Huld, T.

    1989-01-01

    in a two-dimensional Fourier series, while a Chebyshev-Fourier expansion is employed in the second case. A new, efficient algorithm for the solution of Poisson's equation on an annulus is introduced. Problems connected to aliasing and to short wavelength noise generated by gradient steepening are discussed.......An introduction is given to the use of spectral methods in numerical plasma simulation. As examples of the use of spectral methods, solutions to the two-dimensional Euler equations in both a simple, doubly periodic region, and on an annulus will be shown. In the first case, the solution is expanded...

  2. Stochastic dynamics of N bistable elements with global time-delayed interactions: towards an exact solution of the master equations for finite N.

    Science.gov (United States)

    Kimizuka, M; Munakata, T; Rosinberg, M L

    2010-10-01

    We consider a network of N noisy bistable elements with global time-delayed couplings. In a two-state description, where elements are represented by Ising spins, the collective dynamics is described by an infinite hierarchy of coupled master equations which was solved at the mean-field level in the thermodynamic limit. When the number of elements is finite, as is the case in actual laser networks, an analytical description was deemed so far intractable and numerical studies seemed to be necessary. In this paper we consider the case of two interacting elements and show that a partial analytical description of the stationary state is possible if the stochastic process is time symmetric. This requires some relationship between the transition rates to be satisfied.

  3. Adaptive solution of partial differential equations in multiwavelet bases

    International Nuclear Information System (INIS)

    Alpert, B.; Beylkin, G.; Gines, D.; Vozovoi, L.

    2002-01-01

    We construct multiresolution representations of derivative and exponential operators with linear boundary conditions in multiwavelet bases and use them to develop a simple, adaptive scheme for the solution of nonlinear, time-dependent partial differential equations. The emphasis on hierarchical representations of functions on intervals helps to address issues of both high-order approximation and efficient application of integral operators, and the lack of regularity of multiwavelets does not preclude their use in representing differential operators. Comparisons with finite difference, finite element, and spectral element methods are presented, as are numerical examples with the heat equation and Burgers' equation

  4. Distribution of 14 elements from two solutions simulating Hanford HLW Tank 102-SY (acid-dissolved sludge and acidified supernate) on four cation exchange resins and five anion exchange resins having different functional groups

    International Nuclear Information System (INIS)

    Marsh, S.F.; Svitra, Z.V.; Bowen, S.M.

    1995-01-01

    As part of the Tank Waste Remediation System program at Los Alamos, we evaluated a series of cation exchange and anion exchange resins for their ability to remove hazardous components from radioactive high-level waste (HLW). The anion exchangers were Reillex TM HPQ, a polyvinyl pyridine resin, and four strong-base polystyrene resins having trimethyl, tri ethyl, tri propyl, and tributyl amine as their respective functional groups. The cation exchange resins included Amberlyst TM 15 and Amberlyst tM XN-1010 with sulfonic acid functionality, Duolite TM C-467 with phosphonic acid functionality, and poly functional Diphonix TM with di phosphonic acid, sulfonic acid, and carboxylic acid functionalities. We measured the distributions of 14 elements on these resins from solutions simulating acid-dissolved sludge (pH 0.6) and acidified supernate (pH 3.5) from underground storage tank 102-SY at the Hanford Reservation near Richland, Washington, USA. To these simulants, we added the appropriate radionuclides and used gamma spectrometry to measure fission products (Ce, Cs, Sr, Tc, and Y), actinides (U, Pu, and Am), and matrix elements (Cr, Co, Fe, Mn, Zn, and Zr). For each of the 252 element/resin/solution combinations, distribution coefficients (Kds) were measured for dynamic contact periods of 30 minutes, 2 hours, and 6 hours to obtain information about sorption kinetics from these complex media. Because we measured the sorption of many different elements, the tabulated results indicate which unwanted elements are most likely to interfere with the sorption of elements of special interest. On the basis of these 756 measured Kd values, we conclude that some of the tested resins appear suitable for partitioning hazardous components from Hanford HLW. (author). 10 refs., 11 tabs

  5. A finite element method for the numerical solution of the coupled Cahn-Hilliard and Navier-Stokes system for moving contact line problems

    KAUST Repository

    Bao, Kai

    2012-10-01

    In this paper, a semi-implicit finite element method is presented for the coupled Cahn-Hilliard and Navier-Stokes equations with the generalized Navier boundary condition for the moving contact line problems. In our method, the system is solved in a decoupled way. For the Cahn-Hilliard equations, a convex splitting scheme is used along with a P1-P1 finite element discretization. The scheme is unconditionally stable. A linearized semi-implicit P2-P0 mixed finite element method is employed to solve the Navier-Stokes equations. With our method, the generalized Navier boundary condition is extended to handle the moving contact line problems with complex boundary in a very natural way. The efficiency and capacity of the present method are well demonstrated with several numerical examples. © 2012 Elsevier Inc..

  6. The solar element

    DEFF Research Database (Denmark)

    Kragh, Helge

    2009-01-01

    of the nineteenth century. In the modest form of a yellow spectral line known as D3, 'helium' was sometimes supposed to exist in the Sun's atmosphere, an idea which is traditionally ascribed to J. Norman Lockyer. Did Lockyer discover helium as a solar element? How was the suggestion received by chemists, physicists...... and astronomers in the period until the spring of 1895, when William Ramsay serendipitously found the gas in uranium minerals? The hypothetical element helium was fairly well known, yet Ramsay's discovery owed little or nothing to Lockyer's solar element. Indeed, for a brief while it was thought that the two...... elements might be different. The complex story of how helium became established as both a solar and terrestrial element involves precise observations as well as airy speculations. It is a story that is unique among the discovery histories of the chemical elements....

  7. Spectral zone selection methodology for pebble bed reactors

    International Nuclear Information System (INIS)

    Mphahlele, Ramatsemela; Ougouag, Abderrafi M.; Ivanov, Kostadin N.; Gougar, Hans D.

    2011-01-01

    A methodology is developed for determining boundaries of spectral zones for pebble bed reactors. A spectral zone is defined as a region made up of a number of nodes whose characteristics are collectively similar and that are assigned the same few-group diffusion constants. The spectral zones are selected in such a manner that the difference (error) between the reference transport solution and the diffusion code solution takes a minimum value. This is achieved by choosing spectral zones through optimally minimizing this error. The objective function for the optimization algorithm is the total reaction rate error, which is defined as the sum of the leakage, absorption and fission reaction rates errors in each zone. The selection of these spectral zones is such that the core calculation results based on diffusion theory are within an acceptable tolerance as compared to a proper transport reference solution. Through this work, a consistent approach for identifying spectral zones that yield more accurate diffusion results is introduced.

  8. A numerical spectral approach to solve the dislocation density transport equation

    International Nuclear Information System (INIS)

    Djaka, K S; Taupin, V; Berbenni, S; Fressengeas, C

    2015-01-01

    A numerical spectral approach is developed to solve in a fast, stable and accurate fashion, the quasi-linear hyperbolic transport equation governing the spatio-temporal evolution of the dislocation density tensor in the mechanics of dislocation fields. The approach relies on using the Fast Fourier Transform algorithm. Low-pass spectral filters are employed to control both the high frequency Gibbs oscillations inherent to the Fourier method and the fast-growing numerical instabilities resulting from the hyperbolic nature of the transport equation. The numerical scheme is validated by comparison with an exact solution in the 1D case corresponding to dislocation dipole annihilation. The expansion and annihilation of dislocation loops in 2D and 3D settings are also produced and compared with finite element approximations. The spectral solutions are shown to be stable, more accurate for low Courant numbers and much less computation time-consuming than the finite element technique based on an explicit Galerkin-least squares scheme. (paper)

  9. The Space-Time Conservation Element and Solution Element Method-A New High-Resolution and Genuinely Multidimensional Paradigm for Solving Conservation Laws. 2; Numerical Simulation of Shock Waves and Contact Discontinuities

    Science.gov (United States)

    Wang, Xiao-Yen; Chow, Chuen-Yen; Chang, Sin-Chung

    1998-01-01

    Without resorting to special treatment for each individual test case, the 1D and 2D CE/SE shock-capturing schemes described previously (in Part I) are used to simulate flows involving phenomena such as shock waves, contact discontinuities, expansion waves and their interactions. Five 1D and six 2D problems are considered to examine the capability and robustness of these schemes. Despite their simple logical structures and low computational cost (for the 2D CE/SE shock-capturing scheme, the CPU time is about 2 micro-secs per mesh point per marching step on a Cray C90 machine), the numerical results, when compared with experimental data, exact solutions or numerical solutions by other methods, indicate that these schemes can accurately resolve shock and contact discontinuities consistently.

  10. Chebyshev super spectral viscosity method for a fluidized bed model

    International Nuclear Information System (INIS)

    Sarra, Scott A.

    2003-01-01

    A Chebyshev super spectral viscosity method and operator splitting are used to solve a hyperbolic system of conservation laws with a source term modeling a fluidized bed. The fluidized bed displays a slugging behavior which corresponds to shocks in the solution. A modified Gegenbauer postprocessing procedure is used to obtain a solution which is free of oscillations caused by the Gibbs-Wilbraham phenomenon in the spectral viscosity solution. Conservation is maintained by working with unphysical negative particle concentrations

  11. Chebyshev super spectral viscosity method for a fluidized bed model

    CERN Document Server

    Sarra, S A

    2003-01-01

    A Chebyshev super spectral viscosity method and operator splitting are used to solve a hyperbolic system of conservation laws with a source term modeling a fluidized bed. The fluidized bed displays a slugging behavior which corresponds to shocks in the solution. A modified Gegenbauer postprocessing procedure is used to obtain a solution which is free of oscillations caused by the Gibbs-Wilbraham phenomenon in the spectral viscosity solution. Conservation is maintained by working with unphysical negative particle concentrations.

  12. Chebyshev super spectral viscosity method for water hammer analysis

    Directory of Open Access Journals (Sweden)

    Hongyu Chen

    2013-09-01

    Full Text Available In this paper, a new fast and efficient algorithm, Chebyshev super spectral viscosity (SSV method, is introduced to solve the water hammer equations. Compared with standard spectral method, the method's advantage essentially consists in adding a super spectral viscosity to the equations for the high wave numbers of the numerical solution. It can stabilize the numerical oscillation (Gibbs phenomenon and improve the computational efficiency while discontinuities appear in the solution. Results obtained from the Chebyshev super spectral viscosity method exhibit greater consistency with conventional water hammer calculations. It shows that this new numerical method offers an alternative way to investigate the behavior of the water hammer in propellant pipelines.

  13. Spectral interferences in atomic absorption spectrometry, (5)

    International Nuclear Information System (INIS)

    Daidoji, Hidehiro

    1979-01-01

    Spectral interferences were observed in trace element analysis of concentrated solutions by atomic absorption spectrometry. Molecular absorption and emission spectra for strontium chloride and nitrate, barium chloride and nitrate containing 12 mg/ml of metal ion in airacetylene flame were measured in the wavelength range from 200 to 700 nm. The absorption and emission spectra of SrO were centered near 364.6 nm. The absorption spectra of SrOH around 606.0, 671.0 and 682.0 nm were very strong. And, emission spectrum of BaOH in the wavelength range from 480 to 550 nm was stronger. But, the absorption of this band spectrum was very weak. In the wavelength range from 200 to 400 nm, some unknown bands of absorption were observed for strontium and barium. Absorption spectra of SrCl and BaCl were observed in the argon-hydrogen flame. Also, in the carbon tube atomizer, the absorption spectra of SrCl and BaCl were detected clearly in the wavelength range from 185 to 400 nm. (author)

  14. Enzyme activity measurement via spectral evolution profiling and PARAFAC

    DEFF Research Database (Denmark)

    Baum, Andreas; Meyer, Anne S.; Garcia, Javier Lopez

    2013-01-01

    The recent advances in multi-way analysis provide new solutions to traditional enzyme activity assessment. In the present study enzyme activity has been determined by monitoring spectral changes of substrates and products in real time. The method relies on measurement of distinct spectral...... fingerprints of the reaction mixture at specific time points during the course of the whole enzyme catalyzed reaction and employs multi-way analysis to detect the spectral changes. The methodology is demonstrated by spectral evolution profiling of Fourier Transform Infrared (FTIR) spectral fingerprints using...

  15. Groundwater prospecting for sandstone-type uranium deposits: the merits of mineral-solution equilibria versus single element tracer methods. Volume II

    Energy Technology Data Exchange (ETDEWEB)

    Wanty, R.B.; Langmuir, D.; Chatham, J.R.

    1981-08-01

    This report presents the results of further research on the groundwater geochemistry of 96 well waters in two uraniferous aquifers in Texas and Wyoming, and is a continuation of the work presented by Chatham et al. (1981). In this study variations in concentrations of U, As, Mo, Se and V were compared with the saturation state of the groundwater with respect to mineral phases of these elements known or expected to occur in each area. The non-radiogenic trace elements exhibited strong redox dependence consistent with thermodynamic predictions, but their variations did not pinpoint existing uranium ore bodies, because of a shift in groundwater flow patterns since the time of ore emplacement. Saturation levels of trace element minerals such as realgar, native Se, and molybdenite showed broad anomalies around the ore-bearing areas, similar to patterns found for U minerals by Langmuir and Chatham (1980), and Chatham et al. (1981). The radiogenic elements Ra and Rn showed significant anomalies directly within the ore zones. Helium anomalies were displaced in the direction of groundwater flow, but by their magnitude and areal extent provided strong evidence for the existence of nearby uranium accumulations. Uranium isotope ratios showed no systematic variations within the two aquifers studied. Saturation maps for kaolinite, illite, montmorillonite and the zeolites analcime and clinoptilolite provided 1 to 2 km anomalies around the ore at the Texas site. Saturation values for the gangue minerals pyrite and calcite defined the redox interface and often suggested the position of probable uranium mineralization. When properly used, the groundwater geochemical concepts for exploration can accurately pinpoint uranium mineralization at a fraction of the cost of conventional methods that involve test drilling and geophysical and core logging.

  16. Groundwater prospecting for sandstone-type uranium deposits: the merits of mineral-solution equilibria versus single element tracer methods. Volume II

    International Nuclear Information System (INIS)

    Wanty, R.B.; Langmuir, D.; Chatham, J.R.

    1981-08-01

    This report presents the results of further research on the groundwater geochemistry of 96 well waters in two uraniferous aquifers in Texas and Wyoming, and is a continuation of the work presented by Chatham et al. (1981). In this study variations in concentrations of U, As, Mo, Se and V were compared with the saturation state of the groundwater with respect to mineral phases of these elements known or expected to occur in each area. The non-radiogenic trace elements exhibited strong redox dependence consistent with thermodynamic predictions, but their variations did not pinpoint existing uranium ore bodies, because of a shift in groundwater flow patterns since the time of ore emplacement. Saturation levels of trace element minerals such as realgar, native Se, and molybdenite showed broad anomalies around the ore-bearing areas, similar to patterns found for U minerals by Langmuir and Chatham (1980), and Chatham et al. (1981). The radiogenic elements Ra and Rn showed significant anomalies directly within the ore zones. Helium anomalies were displaced in the direction of groundwater flow, but by their magnitude and areal extent provided strong evidence for the existence of nearby uranium accumulations. Uranium isotope ratios showed no systematic variations within the two aquifers studied. Saturation maps for kaolinite, illite, montmorillonite and the zeolites analcime and clinoptilolite provided 1 to 2 km anomalies around the ore at the Texas site. Saturation values for the gangue minerals pyrite and calcite defined the redox interface and often suggested the position of probable uranium mineralization. When properly used, the groundwater geochemical concepts for exploration can accurately pinpoint uranium mineralization at a fraction of the cost of conventional methods that involve test drilling and geophysical and core logging

  17. Adaptive Spectral Doppler Estimation

    DEFF Research Database (Denmark)

    Gran, Fredrik; Jakobsson, Andreas; Jensen, Jørgen Arendt

    2009-01-01

    . The methods can also provide better quality of the estimated power spectral density (PSD) of the blood signal. Adaptive spectral estimation techniques are known to pro- vide good spectral resolution and contrast even when the ob- servation window is very short. The 2 adaptive techniques are tested......In this paper, 2 adaptive spectral estimation techniques are analyzed for spectral Doppler ultrasound. The purpose is to minimize the observation window needed to estimate the spectrogram to provide a better temporal resolution and gain more flexibility when designing the data acquisition sequence...... and compared with the averaged periodogram (Welch’s method). The blood power spectral capon (BPC) method is based on a standard minimum variance technique adapted to account for both averaging over slow-time and depth. The blood amplitude and phase estimation technique (BAPES) is based on finding a set...

  18. Complexes in solution of o-phenanthroline with the ions of 4f and 5f elements at valencies II, III, V, VI

    International Nuclear Information System (INIS)

    Le Marois, Gilles.

    1980-06-01

    Slight differences between the complexation in aqueous solution of 4f and 5f series ions are revealed by the use of a soft, aromatic and chelating ligand of the o-phenanthroline type. Trivalent actinide ions are extrated selectively in the presence of a carboxylic acid. This extraction takes place at high pH and does not require large quantities of salts in aqueous solution, which increase the volume of radioactive wastes for storage. Only the first two o-phenanthroline complexes of these ions are obtained in aqueous solution. Determination of the constants of formation of such complexes shows the stronger affinity of the ligand for actinide ions. An inversion of the usual order of complexation of the different actinide valencies is also observed: pentavalent ions are most complexed than trivalent, o-phenanthroline stabilises actinide ions preferentially because they are more liable to form bonds with delocalised electrons. Finally a slight stabilisation of europium at valency II shows the participation of electrons by back bonding of the metal, due to the strong conjugation of the ligand π electrons [fr

  19. A spectral multiscale hybridizable discontinuous Galerkin method for second order elliptic problems

    KAUST Repository

    Efendiev, Yalchin R.

    2015-08-01

    We design a multiscale model reduction framework within the hybridizable discontinuous Galerkin finite element method. Our approach uses local snapshot spaces and local spectral decomposition following the concept of Generalized Multiscale Finite Element Methods. We propose several multiscale finite element spaces on the coarse edges that provide a reduced dimensional approximation for numerical traces within the HDG framework. We provide a general framework for systematic construction of multiscale trace spaces. Using local snapshots, we avoid high dimensional representation of trace spaces and use some local features of the solution space in constructing a low dimensional trace space. We investigate the solvability and numerically study the performance of the proposed method on a representative number of numerical examples.

  20. The Space-Time Conservation Element and Solution Element Method: A New High-Resolution and Genuinely Multidimensional Paradigm for Solving Conservation Laws. 1; The Two Dimensional Time Marching Schemes

    Science.gov (United States)

    Chang, Sin-Chung; Wang, Xiao-Yen; Chow, Chuen-Yen

    1998-01-01

    A new high resolution and genuinely multidimensional numerical method for solving conservation laws is being, developed. It was designed to avoid the limitations of the traditional methods. and was built from round zero with extensive physics considerations. Nevertheless, its foundation is mathmatically simple enough that one can build from it a coherent, robust. efficient and accurate numerical framework. Two basic beliefs that set the new method apart from the established methods are at the core of its development. The first belief is that, in order to capture physics more efficiently and realistically, the modeling, focus should be placed on the original integral form of the physical conservation laws, rather than the differential form. The latter form follows from the integral form under the additional assumption that the physical solution is smooth, an assumption that is difficult to realize numerically in a region of rapid chance. such as a boundary layer or a shock. The second belief is that, with proper modeling of the integral and differential forms themselves, the resulting, numerical solution should automatically be consistent with the properties derived front the integral and differential forms, e.g., the jump conditions across a shock and the properties of characteristics. Therefore a much simpler and more robust method can be developed by not using the above derived properties explicitly.

  1. Holonomy loops, spectral triples and quantum gravity

    DEFF Research Database (Denmark)

    Johannes, Aastrup; Grimstrup, Jesper Møller; Nest, Ryszard

    2009-01-01

    We review the motivation, construction and physical interpretation of a semi-finite spectral triple obtained through a rearrangement of central elements of loop quantum gravity. The triple is based on a countable set of oriented graphs and the algebra consists of generalized holonomy loops...

  2. Solvent Extraction of Rare Earth Elements from a Nitric Acid Leach Solution of Apatite by Mixtures of Tributyl Phosphate and Di-(2-ethylhexyl) Phosphoric Acid

    Science.gov (United States)

    Ferdowsi, Ali; Yoozbashizadeh, Hossein

    2017-12-01

    Solvent extraction of rare earths from nitrate leach liquor of apatite using mixtures of tributyl phosphate (TBP) and di-(2-ethylhexyl) phosphoric acid (D2EHPA) was studied. The effects of nitrate and hydrogen ion concentration of the aqueous phase as well as the composition and concentration of extractants in the organic phase on the extraction behavior of lanthanum, cerium, neodymium, and yttrium were investigated. The distribution ratio of REEs increases by increasing the nitrate concentration in aqueous phase and concentration of extractants in organic phase, but the hydrogen ion concentration in aqueous phase has a decreasing effect. Yttrium as a heavy rare earth is more sensitive to these parameters than light rare earth elements. Although the composition of organic phase has a minor effect on the extraction of light rare earths, the percent of extraction of yttrium decreases dramatically by increasing the TBP content of organic phase. Mixtures of TBP and D2EHPA can show either synergism or antagonism extraction depending on the concentration and composition of extractants in organic phase. The best condition for separating rare earth elements in groups of heavy and light REEs can be achieved at high nitrate concentration, low H+ concentration, and high concentration of D2EHPA in organic phase. Separation of Ce and La by TBP and D2EHPA is practically impossible in the studied conditions; however, low nitrate concentration and high hydrogen ion concentration in aqueous phase and low concentration of extractants in organic phase favor the separation of Nd from other light rare earth elements.

  3. Trace elements in landfill calcite: a comparison of solution & laser ablation ICP-MS and calibration to different standard material (SRM NIST glass and USGS MACS carbonate)

    Czech Academy of Sciences Publication Activity Database

    Strnad, L.; Ettler, V.; Mihaljevič, M.; Hladil, Jindřich

    2008-01-01

    Roč. 9, - (2008), s. 235-236 ISSN 1885-7264. [Reunión de la Sociedad Española de Mineralogía /28./ ; Reunión de la Sociedad Española de Arcillas /21./. Zaragoza, 16.09.2008-19.09.2008] R&D Projects: GA AV ČR IAA300130702 Institutional research plan: CEZ:AV0Z30130516 Keywords : trace elements * reference material * carbonate * ICP-MS * laser ablation Subject RIV: DB - Geology ; Mineralogy http://www.ehu.es/sem/macla_pdf/macla9/macla9_235.pdf

  4. Murt user's guide: A hybrid Lagrangian-Eulerian finite element model of multiple-pore-region solute transport through subsurface media

    International Nuclear Information System (INIS)

    Gwo, J.P.; Jardine, P.M.; Yeh, G.T.; Wilson, G.V.

    1995-04-01

    Matrix diffusion, a diffusive mass transfer process,in the structured soils and geologic units at ORNL, is believe to be an important subsurface mass transfer mechanism; it may affect off-site movement of radioactive wastes and remediation of waste disposal sites by locally exchanging wastes between soil/rock matrix and macropores/fractures. Advective mass transfer also contributes to waste movement but is largely neglected by researchers. This report presents the first documented 2-D multiregion solute transport code (MURT) that incorporates not only diffusive but also advective mass transfer and can be applied to heterogeneous porous media under transient flow conditions. In this report, theoretical background is reviewed and the derivation of multiregion solute transport equations is presented. Similar to MURF (Gwo et al. 1994), a multiregion subsurface flow code, multiplepore domains as suggested by previous investigators (eg, Wilson and Luxmoore 1988) can be implemented in MURT. Transient or steady-state flow fields of the pore domains can be either calculated by MURF or by modelers. The mass transfer process is briefly discussed through a three-pore-region multiregion solute transport mechanism. Mass transfer equations that describe mass flux across pore region interfaces are also presented and parameters needed to calculate mass transfer coefficients detailed. Three applications of MURT (tracer injection problem, sensitivity analysis of advective and diffusive mass transfer, hillslope ponding infiltration and secondary source problem) were simulated and results discussed. Program structure of MURT and functions of MURT subroutiness are discussed so that users can adapt the code; guides for input data preparation are provided in appendices

  5. Solid solution alloy nanoparticles of immiscible Pd and Ru elements neighboring on Rh: changeover of the thermodynamic behavior for hydrogen storage and enhanced CO-oxidizing ability.

    Science.gov (United States)

    Kusada, Kohei; Kobayashi, Hirokazu; Ikeda, Ryuichi; Kubota, Yoshiki; Takata, Masaki; Toh, Shoichi; Yamamoto, Tomokazu; Matsumura, Syo; Sumi, Naoya; Sato, Katsutoshi; Nagaoka, Katsutoshi; Kitagawa, Hiroshi

    2014-02-05

    Pd(x)Ru(1-x) solid solution alloy nanoparticles were successfully synthesized over the whole composition range through a chemical reduction method, although Ru and Pd are immiscible at the atomic level in the bulk state. From the XRD measurement, it was found that the dominant structure of Pd(x)Ru(1-x) changes from fcc to hcp with increasing Ru content. The structures of Pd(x)Ru(1-x) nanoparticles in the Pd composition range of 30-70% consisted of both solid solution fcc and hcp structures, and both phases coexist in a single particle. In addition, the reaction of hydrogen with the Pd(x)Ru(1-x) nanoparticles changed from exothermic to endothermic as the Ru content increased. Furthermore, the prepared Pd(x)Ru(1-x) nanoparticles demonstrated enhanced CO-oxidizing catalytic activity; Pd0.5Ru0.5 nanoparticles exhibit the highest catalytic activity. This activity is much higher than that of the practically used CO-oxidizing catalyst Ru and that of the neighboring Rh, between Ru and Pd.

  6. Spectral analysis for differential operators with singularities

    Directory of Open Access Journals (Sweden)

    Vjacheslav Anatoljevich Yurko

    2004-01-01

    Full Text Available Nonselfadjoint boundary value problems for second-order differential equations on a finite interval with nonintegrable singularities inside the interval are considered under additional sewing conditions for solutions at the singular point. We study properties of the spectrum, prove the completeness of eigen- and associated functions, and investigate the inverse problem of recovering the boundary value problem from its spectral characteristics.

  7. A spectral dynamic stiffness method for free vibration analysis of plane elastodynamic problems

    Science.gov (United States)

    Liu, X.; Banerjee, J. R.

    2017-03-01

    A highly efficient and accurate analytical spectral dynamic stiffness (SDS) method for modal analysis of plane elastodynamic problems based on both plane stress and plane strain assumptions is presented in this paper. First, the general solution satisfying the governing differential equation exactly is derived by applying two types of one-dimensional modified Fourier series. Then the SDS matrix for an element is formulated symbolically using the general solution. The SDS matrices are assembled directly in a similar way to that of the finite element method, demonstrating the method's capability to model complex structures. Any arbitrary boundary conditions are represented accurately in the form of the modified Fourier series. The Wittrick-Williams algorithm is then used as the solution technique where the mode count problem (J0) of a fully-clamped element is resolved. The proposed method gives highly accurate solutions with remarkable computational efficiency, covering low, medium and high frequency ranges. The method is applied to both plane stress and plane strain problems with simple as well as complex geometries. All results from the theory in this paper are accurate up to the last figures quoted to serve as benchmarks.

  8. Spectral analysis of linear relations and degenerate operator semigroups

    International Nuclear Information System (INIS)

    Baskakov, A G; Chernyshov, K I

    2002-01-01

    Several problems of the spectral theory of linear relations in Banach spaces are considered. Linear differential inclusions in a Banach space are studied. The construction of the phase space and solutions is carried out with the help of the spectral theory of linear relations, ergodic theorems, and degenerate operator semigroups

  9. Simulation of a welding process in polyduct pipelines resolved with a finite elements computational model. Comparison with analytical solutions and tests with thermocouples

    International Nuclear Information System (INIS)

    Sanzi, H; Elvira, G; Kloster, M; Asta, E; Zalazar, M

    2006-01-01

    All welding processes induce deformations and thermal tensions, which must be evaluated correctly since they can influence a component's structural integrity. This work determines the distribution of temperatures that develop during a manual welding process with shielded electrodes (SMAW), on the circumference seam of a pipe for use in polyducts. A simplified model of Finite Elements (FEA) using three dimensional solids is proposed for the study. The analysis considers that while the welding process is underway, no heat is lost into the environment, that is, adiabatic conditions are considered, and the transformations produced in the material due to phase changes do not produce modifications in the properties of the supporting or base materials. The results of the simulation are compared with those obtained by recent analytical studies developed by different investigators, such as Nguyen, Ohta, Matsuoka, Suzuki and Taeda, where a continuously moving three dimensional double ellipsoidal source was used. The results are then compared with the experimental results by measuring with thermocouples. This study reveals the sensitivity and the validity of the proposed computer model, and in a second stage optimizes the engineering times for the resolution of a problem like the one presented in order to design the corresponding welding procedure (CW)

  10. Quasistatic field simulations based on finite elements and spectral methods applied to superconducting magnets; Quasistatische Feldsimulationen auf der Basis von Finiten Elementen und Spektralmethoden in der Anwendung auf supraleitende Magnete

    Energy Technology Data Exchange (ETDEWEB)

    Koch, Stephan

    2009-03-30

    This thesis is concerned with the numerical simulation of electromagnetic fields in the quasi-static approximation which is applicable in many practical cases. Main emphasis is put on higher-order finite element methods. Quasi-static applications can be found, e.g., in accelerator physics in terms of the design of magnets required for beam guidance, in power engineering as well as in high-voltage engineering. Especially during the first design and optimization phase of respective devices, numerical models offer a cheap alternative to the often costly assembly of prototypes. However, large differences in the magnitude of the material parameters and the geometric dimensions as well as in the time-scales of the electromagnetic phenomena involved lead to an unacceptably long simulation time or to an inadequately large memory requirement. Under certain circumstances, the simulation itself and, in turn, the desired design improvement becomes even impossible. In the context of this thesis, two strategies aiming at the extension of the range of application for numerical simulations based on the finite element method are pursued. The first strategy consists in parallelizing existing methods such that the computation can be distributed over several computers or cores of a processor. As a consequence, it becomes feasible to simulate a larger range of devices featuring more degrees of freedom in the numerical model than before. This is illustrated for the calculation of the electromagnetic fields, in particular of the eddy-current losses, inside a superconducting dipole magnet developed at the GSI Helmholtzzentrum fuer Schwerionenforschung as a part of the FAIR project. As the second strategy to improve the efficiency of numerical simulations, a hybrid discretization scheme exploiting certain geometrical symmetries is established. Using this method, a significant reduction of the numerical effort in terms of required degrees of freedom for a given accuracy is achieved. The

  11. Spectral radius of graphs

    CERN Document Server

    Stevanovic, Dragan

    2015-01-01

    Spectral Radius of Graphs provides a thorough overview of important results on the spectral radius of adjacency matrix of graphs that have appeared in the literature in the preceding ten years, most of them with proofs, and including some previously unpublished results of the author. The primer begins with a brief classical review, in order to provide the reader with a foundation for the subsequent chapters. Topics covered include spectral decomposition, the Perron-Frobenius theorem, the Rayleigh quotient, the Weyl inequalities, and the Interlacing theorem. From this introduction, the

  12. Multiple flow solutions in buoyancy induced convection in a porous square box

    Science.gov (United States)

    Henry, D.; Touihri, R.; Bouhlila, R.; Ben Hadid, H.

    2012-10-01

    The convection induced by buoyancy effects in a porous square cavity has been investigated numerically using a spectral element code with bifurcation tools. The complex bifurcation diagram initiated from the first six primary bifurcation points corresponding to the onset of convection from the trivial no-flow solution has been calculated. Four branches of stable steady solutions have been found, corresponding to one-roll, two-roll, three-roll and four-roll flow structures. The domain of existence of these stable solutions, i.e., the Rayleigh number (Ra) range in which such solutions can potentially be observed, has been precisely determined. It is shown that there exist Ra ranges where different flow solutions can be stable together. The stable branches all terminate at Hopf bifurcation points beyond which oscillatory solutions have been computed.

  13. Evaluation of an approach for the characterization of reactive and available pools of 20 potentially toxic elements in soils: part II--solid-solution partition relationships and ion activity in soil solutions.

    Science.gov (United States)

    Rodrigues, S M; Henriques, B; Ferreira da Silva, E; Pereira, M E; Duarte, A C; Groenenberg, J E; Römkens, P F A M

    2010-12-01

    To assess environmental risks related to contaminants in soil it is essential to predict the available pool of inorganic contaminants at regional scales, accounting for differences between soils from variable geologic and climatic origins. An approach composed of a well-accepted soil extraction procedure (0.01 M CaCl(2)) and empirical Freundlich-type models in combination with mechanistically based models which to date have been used only in temperate regions was applied to 136 soils from a South European area and evaluated for its possible general use in risk assessment. Empirical models based on reactive element pools and soil properties (pH, organic carbon, clay, total Al, Fe and Mn) provided good estimations of available concentrations for a broad range of contaminants including As, Ba, Cd, Co, Cu, Hg, Mo, Ni, Pb, Sb, Se and Zn (r(2): 0.46-0.89). The variation of the pools of total Al in soils expressed the sorptive capacity of aluminosilicates and Al oxides at the surfaces and edges of clay minerals better than the actual variability of clay contents. The approach has led to recommendations for further research with particular emphasis on the impact of clay on the solubility of As and Sb, on the mechanisms controlling Cr and U availability and on differences in binding properties of soil organic matter from different climatic regions. This study showed that such approach may be included with a good degree of certainty for first step risk assessment procedures to identify potential risk areas for leaching and uptake of inorganic contaminants in different environmental settings. Copyright © 2010 Elsevier Ltd. All rights reserved.

  14. Pretreatment and integrated analysis of spectral data reveal seaweed similarities based on chemical diversity.

    Science.gov (United States)

    Wei, Feifei; Ito, Kengo; Sakata, Kenji; Date, Yasuhiro; Kikuchi, Jun

    2015-03-03

    Extracting useful information from high dimensionality and large data sets is a major challenge for data-driven approaches. The present study was aimed at developing novel integrated analytical strategies for comprehensively characterizing seaweed similarities based on chemical diversity. The chemical compositions of 107 seaweed and 2 seagrass samples were analyzed using multiple techniques, including Fourier transform infrared (FT-IR) and solid- and solution-state nuclear magnetic resonance (NMR) spectroscopy, thermogravimetry-differential thermal analysis (TG-DTA), inductively coupled plasma-optical emission spectrometry (ICP-OES), CHNS/O total elemental analysis, and isotope ratio mass spectrometry (IR-MS). The spectral data were preprocessed using non-negative matrix factorization (NMF) and NMF combined with multivariate curve resolution-alternating least-squares (MCR-ALS) methods in order to separate individual component information from the overlapping and/or broad spectral peaks. Integrated analysis of the preprocessed chemical data demonstrated distinct discrimination of differential seaweed species. Further network analysis revealed a close correlation between the heavy metal elements and characteristic components of brown algae, such as cellulose, alginic acid, and sulfated mucopolysaccharides, providing a componential basis for its metal-sorbing potential. These results suggest that this integrated analytical strategy is useful for extracting and identifying the chemical characteristics of diverse seaweeds based on large chemical data sets, particularly complicated overlapping spectral data.

  15. 3-dimensional magnetotelluric inversion including topography using deformed hexahedral edge finite elements and direct solvers parallelized on symmetric multiprocessor computers - Part II: direct data-space inverse solution

    Science.gov (United States)

    Kordy, M.; Wannamaker, P.; Maris, V.; Cherkaev, E.; Hill, G.

    2016-01-01

    Following the creation described in Part I of a deformable edge finite-element simulator for 3-D magnetotelluric (MT) responses using direct solvers, in Part II we develop an algorithm named HexMT for 3-D regularized inversion of MT data including topography. Direct solvers parallelized on large-RAM, symmetric multiprocessor (SMP) workstations are used also for the Gauss-Newton model update. By exploiting the data-space approach, the computational cost of the model update becomes much less in both time and computer memory than the cost of the forward simulation. In order to regularize using the second norm of the gradient, we factor the matrix related to the regularization term and apply its inverse to the Jacobian, which is done using the MKL PARDISO library. For dense matrix multiplication and factorization related to the model update, we use the PLASMA library which shows very good scalability across processor cores. A synthetic test inversion using a simple hill model shows that including topography can be important; in this case depression of the electric field by the hill can cause false conductors at depth or mask the presence of resistive structure. With a simple model of two buried bricks, a uniform spatial weighting for the norm of model smoothing recovered more accurate locations for the tomographic images compared to weightings which were a function of parameter Jacobians. We implement joint inversion for static distortion matrices tested using the Dublin secret model 2, for which we are able to reduce nRMS to ˜1.1 while avoiding oscillatory convergence. Finally we test the code on field data by inverting full impedance and tipper MT responses collected around Mount St Helens in the Cascade volcanic chain. Among several prominent structures, the north-south trending, eruption-controlling shear zone is clearly imaged in the inversion.

  16. Unmixing of spectrally similar minerals

    CSIR Research Space (South Africa)

    Debba, Pravesh

    2009-01-01

    Full Text Available techniques is complicated when considering very similar spectral signatures. Iron-bearing oxide/hydroxide/sulfate minerals have similar spectral signatures. The study focuses on how could estimates of abundances of spectrally similar iron-bearing oxide...

  17. Vowel Inherent Spectral Change

    CERN Document Server

    Assmann, Peter

    2013-01-01

    It has been traditional in phonetic research to characterize monophthongs using a set of static formant frequencies, i.e., formant frequencies taken from a single time-point in the vowel or averaged over the time-course of the vowel. However, over the last twenty years a growing body of research has demonstrated that, at least for a number of dialects of North American English, vowels which are traditionally described as monophthongs often have substantial spectral change. Vowel Inherent Spectral Change has been observed in speakers’ productions, and has also been found to have a substantial effect on listeners’ perception. In terms of acoustics, the traditional categorical distinction between monophthongs and diphthongs can be replaced by a gradient description of dynamic spectral patterns. This book includes chapters addressing various aspects of vowel inherent spectral change (VISC), including theoretical and experimental studies of the perceptually relevant aspects of VISC, the relationship between ar...

  18. Predicting the effective response of bulk polycrystalline ferroelectric ceramics via improved spectral phase field methods

    Science.gov (United States)

    Vidyasagar, A.; Tan, W. L.; Kochmann, D. M.

    2017-09-01

    Understanding the electromechanical response of bulk polycrystalline ferroelectric ceramics requires scale-bridging approaches. Recent advances in fast numerical methods to compute the homogenized mechanical response of materials with heterogeneous microstructure have enabled the solution of hitherto intractable systems. In particular, the use of a Fourier-based spectral method as opposed to the traditional finite element method has gained significant interest in the homogenization of periodic microstructures. Here, we solve the periodic, electro-mechanically-coupled boundary value problem at the mesoscale of polycrystalline ferroelectrics in order to extract the effective response of barium titanate (BaTiO3) and lead zirconate titanate (PZT) under applied electric fields. Results include the effective electric hysteresis and the associated butterfly curve of strain vs. electric field for mean stress-free electric loading. Computational predictions of the 3D polycrystalline response show convincing agreement with our experimental electric cycling and strain hysteresis data for PZT-5A. In addition to microstructure-dependent effective physics, we also show how finite-difference-based approximations in the spectral solution scheme significantly reduce instability and ringing phenomena associated with spectral techniques and lead to spatial convergence with h-refinement, which have been major challenges when modeling high-contrast systems such as polycrystals.

  19. High Resolution Spectral Analysis

    Science.gov (United States)

    2006-10-25

    liable methods for high resolution spectral analysis of multivariable processes, as well as to distance measures for quantitative assessment of...called "modern nonlinear spectral analysis methods " [27]. An alternative way to reconstruct /„(#), based on Tn, is the periodogram/correlogram f{6...eie). A homotopy method was proposed in [8, 9] leading to a differential equation for A(T) in a homotopy variable r. If the statistics are consistent

  20. Spectrally selective glazings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-08-01

    Spectrally selective glazing is window glass that permits some portions of the solar spectrum to enter a building while blocking others. This high-performance glazing admits as much daylight as possible while preventing transmission of as much solar heat as possible. By controlling solar heat gains in summer, preventing loss of interior heat in winter, and allowing occupants to reduce electric lighting use by making maximum use of daylight, spectrally selective glazing significantly reduces building energy consumption and peak demand. Because new spectrally selective glazings can have a virtually clear appearance, they admit more daylight and permit much brighter, more open views to the outside while still providing the solar control of the dark, reflective energy-efficient glass of the past. This Federal Technology Alert provides detailed information and procedures for Federal energy managers to consider spectrally selective glazings. The principle of spectrally selective glazings is explained. Benefits related to energy efficiency and other architectural criteria are delineated. Guidelines are provided for appropriate application of spectrally selective glazing, and step-by-step instructions are given for estimating energy savings. Case studies are also presented to illustrate actual costs and energy savings. Current manufacturers, technology users, and references for further reading are included for users who have questions not fully addressed here.

  1. A stabilized finite element formulation for the solution of the Navier-Stokes equations in axisymmetric geometry; Uma formulacao estabilizada de elementos finitos para solucao das equacoes de Navier-Stokes em geometria axissimetrica

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Altivo Monteiro de

    2008-12-15

    The world energy consumption has been increasing strongly in recent years. Nuclear energy has been regarded as a suitable option to supply this growing energy demand in industrial scale. In view of the need of improving the understanding and capacity of analysis of nuclear power plants, modern simulation techniques for flow and heat transfer problems are gaining greater importance. A large number of problems found in nuclear reactor engineering can be dealt assuming axial symmetry. Thus, in this work a stabilized finite element formulation for the solution of the Navier-Stokes and energy equations for axisymmetric problems have been developed and tested. The formulation has been implemented in the NS{sub S}OLVER{sub M}PI{sub 2}D{sub A} program developed at the Parallel Computation Laboratory of the Instituto de Engenharia Nuclear (LCP/IEN) and is now available either for safety analysis or design of nuclear systems. (author)

  2. Studies on the spectral interference of gadolinium on different analytes in inductively coupled plasma atomic emission spectroscopy

    International Nuclear Information System (INIS)

    Sengupta, Arijit; Thulasidas, S.K.; Natarajan, V.; Airan, Yougant

    2015-01-01

    Due to the multi-electronic nature, rare earth elements are prone to exhibit spectral interference in ICP-AES, which leads to erroneous determination of analytes in presence of such matrix. This interference is very significant, when the analytes are to be determined at trace level in presence of emission rich matrix elements. An attempt was made to understand the spectral interference of Gd on 29 common analytes like Ag, Al, B, Ba, Bi, Ca, Cd, Ce, Co, Cr, Cu, Dy, Fe, Ga, Gd, In, La, Li, Lu, Mg, Mn, Na, Nd, Ni, Pb, Pr, Sr, Tl and Zn using ICP-AES with capacitive Charged Coupled Device (CCD) as detector. The present study includes identification of suitable interference free analytical lines of these analytes, evaluation of correction factor for each analytical line and determination of tolerance levels of these analytical lines along with the ICP-AES based methodology for simultaneous determination of Gd. Based on the spectral interference study, an ICP-AES based method was developed for the determination of these analytes at trace level in presence of Gd matrix without chemical separation. Further the developed methodology was validated using synthetic samples prepared from commercially available reference material solution of individual element; the results were found to be satisfactory. The method was also compared with other existing techniques

  3. Analyseur de spectre RF présentant une bande passante de 10 GHz ainsi qu'une résolution sub-MHz basé sur le creusement spectral dans des cristaux Tm3+:YAG

    Science.gov (United States)

    Gorju, G.; Chauve, A.; Crozatier, V.; Lorgeré, I.; Le Gouët, J.-L.; Bretenaker, F.

    2006-10-01

    Nos travaux s'inscrivent dans le cadre des expériences de traitement optique des signaux hyperfréquence utilisant des ions de terres rares en matrice cristalline excités par des sources lasers agiles en fréquence. Nous présentons la réalisation d'un analyseur de spectre avec une bande passante de 10 GHz et une résolution ultime en dessous du MHz.

  4. Modeling photoacoustic spectral features of micron-sized particles.

    Science.gov (United States)

    Strohm, Eric M; Gorelikov, Ivan; Matsuura, Naomi; Kolios, Michael C

    2014-10-07

    The photoacoustic signal generated from particles when irradiated by light is determined by attributes of the particle such as the size, speed of sound, morphology and the optical absorption coefficient. Unique features such as periodically varying minima and maxima are observed throughout the photoacoustic signal power spectrum, where the periodicity depends on these physical attributes. The frequency content of the photoacoustic signals can be used to obtain the physical attributes of unknown particles by comparison to analytical solutions of homogeneous symmetric geometric structures, such as spheres. However, analytical solutions do not exist for irregularly shaped particles, inhomogeneous particles or particles near structures. A finite element model (FEM) was used to simulate photoacoustic wave propagation from four different particle configurations: a homogeneous particle suspended in water, a homogeneous particle on a reflecting boundary, an inhomogeneous particle with an absorbing shell and non-absorbing core, and an irregularly shaped particle such as a red blood cell. Biocompatible perfluorocarbon droplets, 3-5 μm in diameter containing optically absorbing nanoparticles were used as the representative ideal particles, as they are spherical, homogeneous, optically translucent, and have known physical properties. The photoacoustic spectrum of micron-sized single droplets in suspension and on a reflecting boundary were measured over the frequency range of 100-500 MHz and compared directly to analytical models and the FEM. Good agreement between the analytical model, FEM and measured values were observed for a droplet in suspension, where the spectral minima agreed to within a 3.3 MHz standard deviation. For a droplet on a reflecting boundary, spectral features were correctly reproduced using the FEM but not the analytical model. The photoacoustic spectra from other common particle configurations such as particle with an absorbing shell and a

  5. Further Studies, About New Elements Production, by Electrolysis of Cathodic Pd Thin–Long Wires, in Alcohol-Water Solutions (H, D) and Th-Hg Salts. New Procedures to Produce Pd Nano-Structures

    CERN Document Server

    Celani, F; Righi, E; Trenta, G; Catena, C; D’Agostaro, G; Quercia, P; Andreassi, V; Marini, P; Di Stefano, V; Nakamura, M; Mancini, A; Sona, P G; Fontana, F; Gamberale, L; Garbelli, D; Celia, E; Falcioni, F; Marchesini, M; Novaro, E; Mastromatteo, U

    2005-01-01

    Abstract They were continued, at National Institute of Nuclear Physics, Frascati National Laboratories-Italy, the systematic studies about detection of new elements, some even with isotopic composition different from natural one, after prolonged electrolysis of Pd wires. The electrolytic solution adopted is the, unusual, used from our experimental group since 1999. In short, it was a mixture of both heavy ethyl alcohol (C2H5OD at 90-95%) and water (D2O, at 10-5%), with Th salts at micromolar concentration and Hg at even lower concentration (both of spectroscopic purity). The liquid solutions, before use, were carefully vacuum distilled (and on line 100nm filtered) at low temperatures (30-40°C) and analysed by ICP-MS. The pH was kept quite mild (acidic at about 3-4). The cathode is Pd (99.9% purity) in the shape of long (60cm) and thin wires (diameter only 0.05mm). Before use, it is carefully cleaned and oxidised by Joule heating in air following a (complex) procedure from us continuously improved (since 1995...

  6. CRISS power spectral density

    International Nuclear Information System (INIS)

    Vaeth, W.

    1979-04-01

    The correlation of signal components at different frequencies like higher harmonics cannot be detected by a normal power spectral density measurement, since this technique correlates only components at the same frequency. This paper describes a special method for measuring the correlation of two signal components at different frequencies: the CRISS power spectral density. From this new function in frequency analysis, the correlation of two components can be determined quantitatively either they stem from one signal or from two diverse signals. The principle of the method, suitable for the higher harmonics of a signal as well as for any other frequency combinations is shown for the digital frequency analysis technique. Two examples of CRISS power spectral densities demonstrates the operation of the new method. (orig.) [de

  7. Parametric Explosion Spectral Model

    Energy Technology Data Exchange (ETDEWEB)

    Ford, S R; Walter, W R

    2012-01-19

    Small underground nuclear explosions need to be confidently detected, identified, and characterized in regions of the world where they have never before occurred. We develop a parametric model of the nuclear explosion seismic source spectrum derived from regional phases that is compatible with earthquake-based geometrical spreading and attenuation. Earthquake spectra are fit with a generalized version of the Brune spectrum, which is a three-parameter model that describes the long-period level, corner-frequency, and spectral slope at high-frequencies. Explosion spectra can be fit with similar spectral models whose parameters are then correlated with near-source geology and containment conditions. We observe a correlation of high gas-porosity (low-strength) with increased spectral slope. The relationship between the parametric equations and the geologic and containment conditions will assist in our physical understanding of the nuclear explosion source.

  8. Optimization of compressive 4D-spatio-spectral snapshot imaging

    Science.gov (United States)

    Zhao, Xia; Feng, Weiyi; Lin, Lihua; Su, Wu; Xu, Guoqing

    2017-10-01

    In this paper, a modified 3D computational reconstruction method in the compressive 4D-spectro-volumetric snapshot imaging system is proposed for better sensing spectral information of 3D objects. In the design of the imaging system, a microlens array (MLA) is used to obtain a set of multi-view elemental images (EIs) of the 3D scenes. Then, these elemental images with one dimensional spectral information and different perspectives are captured by the coded aperture snapshot spectral imager (CASSI) which can sense the spectral data cube onto a compressive 2D measurement image. Finally, the depth images of 3D objects at arbitrary depths, like a focal stack, are computed by inversely mapping the elemental images according to geometrical optics. With the spectral estimation algorithm, the spectral information of 3D objects is also reconstructed. Using a shifted translation matrix, the contrast of the reconstruction result is further enhanced. Numerical simulation results verify the performance of the proposed method. The system can obtain both 3D spatial information and spectral data on 3D objects using only one single snapshot, which is valuable in the agricultural harvesting robots and other 3D dynamic scenes.

  9. Spectral analysis by correlation

    International Nuclear Information System (INIS)

    Fauque, J.M.; Berthier, D.; Max, J.; Bonnet, G.

    1969-01-01

    The spectral density of a signal, which represents its power distribution along the frequency axis, is a function which is of great importance, finding many uses in all fields concerned with the processing of the signal (process identification, vibrational analysis, etc...). Amongst all the possible methods for calculating this function, the correlation method (correlation function calculation + Fourier transformation) is the most promising, mainly because of its simplicity and of the results it yields. The study carried out here will lead to the construction of an apparatus which, coupled with a correlator, will constitute a set of equipment for spectral analysis in real time covering the frequency range 0 to 5 MHz. (author) [fr

  10. Bounded elements in Locally C*-algebras

    International Nuclear Information System (INIS)

    El Harti, Rachid

    2001-09-01

    In order to get more useful information about Locally C*-algebras, we introduce in this paper the notion of bounded elements. First, we study the connection between bounded elements and spectrally bounded elements. Some structural results of Locally C*-algebras are established in Theorems 1 , 2 and 3. As an immediate consequence of Theorem 3, we give a characterization of the connected component of the identity in the group of unitary elements for a Locally C*-algebra. (author)

  11. Toxic Elements

    DEFF Research Database (Denmark)

    Hajeb, Parvaneh; Shakibazadeh, Shahram; Sloth, Jens Jørgen

    2016-01-01

    Food is considered the main source of toxic element (arsenic, cadmium, lead, and mercury) exposure to humans, and they can cause major public health effects. In this chapter, we discuss the most important sources for toxic element in food and the foodstuffs which are significant contributors...... to human exposure. The occurrence of each element in food classes from different regions is presented. Some of the current toxicological risk assessments on toxic elements, the human health effect of each toxic element, and their contents in the food legislations are presented. An overview of analytical...... techniques and challenges for determination of toxic elements in food is also given....

  12. Spectral Ensemble Kalman Filters

    Czech Academy of Sciences Publication Activity Database

    Mandel, Jan; Kasanický, Ivan; Vejmelka, Martin; Fuglík, Viktor; Turčičová, Marie; Eben, Kryštof; Resler, Jaroslav; Juruš, Pavel

    2014-01-01

    Roč. 11, - (2014), EMS2014-446 [EMS Annual Meeting /14./ & European Conference on Applied Climatology (ECAC) /10./. 06.10.2014-10.10.2014, Prague] R&D Projects: GA ČR GA13-34856S Grant - others:NSF DMS -1216481 Institutional support: RVO:67985807 Keywords : data assimilation * spectral filter Subject RIV: DG - Athmosphere Sciences, Meteorology

  13. A Simple Spectral Observer

    Directory of Open Access Journals (Sweden)

    Lizeth Torres

    2018-05-01

    Full Text Available The principal aim of a spectral observer is twofold: the reconstruction of a signal of time via state estimation and the decomposition of such a signal into the frequencies that make it up. A spectral observer can be catalogued as an online algorithm for time-frequency analysis because is a method that can compute on the fly the Fourier transform (FT of a signal, without having the entire signal available from the start. In this regard, this paper presents a novel spectral observer with an adjustable constant gain for reconstructing a given signal by means of the recursive identification of the coefficients of a Fourier series. The reconstruction or estimation of a signal in the context of this work means to find the coefficients of a linear combination of sines a cosines that fits a signal such that it can be reproduced. The design procedure of the spectral observer is presented along with the following applications: (1 the reconstruction of a simple periodical signal, (2 the approximation of both a square and a triangular signal, (3 the edge detection in signals by using the Fourier coefficients, (4 the fitting of the historical Bitcoin market data from 1 December 2014 to 8 January 2018 and (5 the estimation of a input force acting upon a Duffing oscillator. To round out this paper, we present a detailed discussion about the results of the applications as well as a comparative analysis of the proposed spectral observer vis-à-vis the Short Time Fourier Transform (STFT, which is a well-known method for time-frequency analysis.

  14. quadratic spline finite element method

    Directory of Open Access Journals (Sweden)

    A. R. Bahadir

    2002-01-01

    Full Text Available The problem of heat transfer in a Positive Temperature Coefficient (PTC thermistor, which may form one element of an electric circuit, is solved numerically by a finite element method. The approach used is based on Galerkin finite element using quadratic splines as shape functions. The resulting system of ordinary differential equations is solved by the finite difference method. Comparison is made with numerical and analytical solutions and the accuracy of the computed solutions indicates that the method is well suited for the solution of the PTC thermistor problem.

  15. Spectral partitioning in equitable graphs.

    Science.gov (United States)

    Barucca, Paolo

    2017-06-01

    Graph partitioning problems emerge in a wide variety of complex systems, ranging from biology to finance, but can be rigorously analyzed and solved only for a few graph ensembles. Here, an ensemble of equitable graphs, i.e., random graphs with a block-regular structure, is studied, for which analytical results can be obtained. In particular, the spectral density of this ensemble is computed exactly for a modular and bipartite structure. Kesten-McKay's law for random regular graphs is found analytically to apply also for modular and bipartite structures when blocks are homogeneous. An exact solution to graph partitioning for two equal-sized communities is proposed and verified numerically, and a conjecture on the absence of an efficient recovery detectability transition in equitable graphs is suggested. A final discussion summarizes results and outlines their relevance for the solution of graph partitioning problems in other graph ensembles, in particular for the study of detectability thresholds and resolution limits in stochastic block models.

  16. Wavelength conversion based spectral imaging

    DEFF Research Database (Denmark)

    Dam, Jeppe Seidelin

    There has been a strong, application driven development of Si-based cameras and spectrometers for imaging and spectral analysis of light in the visible and near infrared spectral range. This has resulted in very efficient devices, with high quantum efficiency, good signal to noise ratio and high...... resolution for this spectral region. Today, an increasing number of applications exists outside the spectral region covered by Si-based devices, e.g. within cleantech, medical or food imaging. We present a technology based on wavelength conversion which will extend the spectral coverage of state of the art...... visible or near infrared cameras and spectrometers to include other spectral regions of interest....

  17. SPECTRAL FILTRATION OF IMAGES BY MEANS OF DISPERSIVE SYSTEMS

    Directory of Open Access Journals (Sweden)

    I. M. Gulis

    2016-01-01

    Full Text Available Instruments for spectral filtration of images are an important element of the systems used in remote sensing, medical diagnostics, in-process measurements. The aim of this study is analysis of the functional features and characteristics of the proposed two image monochromator versions which are based on dispersive spectral filtering. The first is based on the use of a dispersive monochromator, where collimating and camera lenses form a telescopic system, the dispersive element of which is within the intermediate image plane. The second version is based on an imaging double monochromator with dispersion subtraction by back propagation. For the telescopic system version, the spectral and spatial resolutions are estimated, the latter being limited by aberrations and diffraction from the entrance slit. The device has been numerically simulated and prototyped. It is shown that for the spectral bandwidth 10 nm (visible spectral range, the aberration-limited spot size is from 10–20 μm at the image center to about 30 μm at the image periphery for the image size 23–27 mm. The monochromator with dispersion subtraction enables one to vary the spectral resolution (up to 1 nm and higher by changing the intermediate slit width. But the distinctive feature is a significant change in the selected central wavelength over the image field. The considered designs of dispersive image monochromators look very promising due to the particular advantages over the systems based on tunable filters as regards the spectral resolution, fast tuning, and the spectral contrast. The monochromator based on a telescopic system has a simple design and a rather large image field but it also has a limited light throughput due to small aperture size. The monochromator with dispersion subtraction has higher light throughput, can provide high spectral resolution when recording a full data cube in a series of measuring acts for different dispersive element positions. 

  18. Elementary principles of spectral distributions

    International Nuclear Information System (INIS)

    French, J.B.

    1980-01-01

    It is a common observation that as we add particles, one by one, to a simple system, things get steadily more and more complicated. For example if the system is describable in shell-model terms, i.e., with a model space in which m particles are distributed over N single-particle states, then as long as m << N, the dimensionality increases rapidly with particle number. On the other hand, for the usual (1 + 2)-body Hamiltonian, the (m greater than or equal to 2)-particle spectrum and wave functions are determined by operators defined in the one-particle space (for the single-particle energies) and the two-particle space (for the interactions). We may say then that the input information becomes more and more fragmented as the particle number increases, the fixed amount of information being distributed over more and more matrix elements. On the other hand there arise also new simplicities whose origin is connected with the operation of statistical laws. There is a macroscopic simplicity corresponding to the fact that the smoothed spectrum takes on a characteristic shape defined by a few parameters (low-order moments) of the spectrum. There is a microscopic simplicity corresponding to a remarkable spectral rigidity which extends over the entire spectrum and guarantees us that the fluctuations from uniformity in the spectrum are small and in many cases carry little information. The purpose of spectral-distribution theory, as applied to these problems, is to deal with the complexities by taking advantage of the simplicities

  19. a Variable Resolution Global Spectral Model.

    Science.gov (United States)

    Hardiker, Vivek Manohar

    A conformal transformation suggested by F. Schimdt is followed to implement a global spectral model with variable horizontal resolution. A conformal mapping is defined between the real physical sphere (Earth) to a transformed (Computational) sphere. The model equations are discretized on the computational sphere and the conventional spectral technique is applied to solve the model equations. There are two types of transformations used in the present study, namely, the Stretching transformation and the Rotation of the horizontal grid points. Application of the stretching transformation results in finer resolution along the meridional direction. The stretching is controlled by a parameter C. The rotation transformation can be used to relocate the North Pole of the model to any point on the geographic sphere. The idea is now to rotate the pole to the area of interest and refine the resolution around the new pole by applying the stretching transformation. The stretching transformation can be applied alone without the rotation. A T-42 Spectral Shallow-Water model is transformed by applying the stretching transformation alone as well as the two transformations together. A T-42 conventional Spectral Shallow-Water model is run as the control experiment and a conventional T-85 Spectral Shallow-Water model run is treated as the benchmark (Truth) solution. RMS error analysis for the geopotential field as well as the wind field is performed to evaluate the forecast made by the transformed model. It is observed that the RMS error of the transformed model is lower than that of the control run in a latitude band, for the case of stretching transformation alone, while for the total transformation (rotation followed by stretching), similar results are obtained for a rectangular domain. A multi-level global spectral model is designed from the current FSU global spectral model in order to implement the conformal transformation. The transformed T-85 model is used to study Hurricane

  20. Hybrid spectral CT reconstruction

    Science.gov (United States)

    Clark, Darin P.

    2017-01-01

    Current photon counting x-ray detector (PCD) technology faces limitations associated with spectral fidelity and photon starvation. One strategy for addressing these limitations is to supplement PCD data with high-resolution, low-noise data acquired with an energy-integrating detector (EID). In this work, we propose an iterative, hybrid reconstruction technique which combines the spectral properties of PCD data with the resolution and signal-to-noise characteristics of EID data. Our hybrid reconstruction technique is based on an algebraic model of data fidelity which substitutes the EID data into the data fidelity term associated with the PCD reconstruction, resulting in a joint reconstruction problem. Within the split Bregman framework, these data fidelity constraints are minimized subject to additional constraints on spectral rank and on joint intensity-gradient sparsity measured between the reconstructions of the EID and PCD data. Following a derivation of the proposed technique, we apply it to the reconstruction of a digital phantom which contains realistic concentrations of iodine, barium, and calcium encountered in small-animal micro-CT. The results of this experiment suggest reliable separation and detection of iodine at concentrations ≥ 5 mg/ml and barium at concentrations ≥ 10 mg/ml in 2-mm features for EID and PCD data reconstructed with inherent spatial resolutions of 176 μm and 254 μm, respectively (point spread function, FWHM). Furthermore, hybrid reconstruction is demonstrated to enhance spatial resolution within material decomposition results and to improve low-contrast detectability by as much as 2.6 times relative to reconstruction with PCD data only. The parameters of the simulation experiment are based on an in vivo micro-CT experiment conducted in a mouse model of soft-tissue sarcoma. Material decomposition results produced from this in vivo data demonstrate the feasibility of distinguishing two K-edge contrast agents with a spectral

  1. Context Dependent Spectral Unmixing

    Science.gov (United States)

    2014-08-01

    remote sensing [1–13]. It is also used in food safety [14–17], pharmaceutical process monitoring and quality control [18–22], as well as in biomedical...23,24], industrial [25], biometric [26] and forensic applications [27]. Hyperspectral sensors capture both the spatial and spectral information of a...imagery,” IEEE Signal Processing Magazine, vol. 19, no. 1, pp. 58–69, 2002. [12] A. Plaza, J. A. Benediktsson, J. W. Boardman, J. Brazile , L. Bruzzone, G

  2. Hybrid spectral CT reconstruction.

    Directory of Open Access Journals (Sweden)

    Darin P Clark

    Full Text Available Current photon counting x-ray detector (PCD technology faces limitations associated with spectral fidelity and photon starvation. One strategy for addressing these limitations is to supplement PCD data with high-resolution, low-noise data acquired with an energy-integrating detector (EID. In this work, we propose an iterative, hybrid reconstruction technique which combines the spectral properties of PCD data with the resolution and signal-to-noise characteristics of EID data. Our hybrid reconstruction technique is based on an algebraic model of data fidelity which substitutes the EID data into the data fidelity term associated with the PCD reconstruction, resulting in a joint reconstruction problem. Within the split Bregman framework, these data fidelity constraints are minimized subject to additional constraints on spectral rank and on joint intensity-gradient sparsity measured between the reconstructions of the EID and PCD data. Following a derivation of the proposed technique, we apply it to the reconstruction of a digital phantom which contains realistic concentrations of iodine, barium, and calcium encountered in small-animal micro-CT. The results of this experiment suggest reliable separation and detection of iodine at concentrations ≥ 5 mg/ml and barium at concentrations ≥ 10 mg/ml in 2-mm features for EID and PCD data reconstructed with inherent spatial resolutions of 176 μm and 254 μm, respectively (point spread function, FWHM. Furthermore, hybrid reconstruction is demonstrated to enhance spatial resolution within material decomposition results and to improve low-contrast detectability by as much as 2.6 times relative to reconstruction with PCD data only. The parameters of the simulation experiment are based on an in vivo micro-CT experiment conducted in a mouse model of soft-tissue sarcoma. Material decomposition results produced from this in vivo data demonstrate the feasibility of distinguishing two K-edge contrast agents with

  3. Spectral distributions and symmetries

    International Nuclear Information System (INIS)

    Quesne, C.

    1980-01-01

    As it is now well known, the spectral distribution method has both statistical and group theoretical aspects which make for great simplifications in many-Fermion system calculations with respect to more conventional ones. Although both aspects intertwine and are equally essential to understand what is going on, we are only going to discuss some of the group theoretical aspects, namely those connected with the propagation of information, in view of their fundamental importance for the actual calculations of spectral distributions. To be more precise, let us recall that the spectral distribution method may be applied in principle to many-Fermion spaces which have a direct-product structure, i.e., are obtained by distributing a certain number n of Fermions over N single-particle states (O less than or equal to n less than or equal to N), as it is the case for instance for the nuclear shell model spaces. For such systems, the operation of a central limit theorem is known to provide us with a simplifying principle which, when used in conjunction with exact or broken symmetries, enables us to make definite predictions in those cases which are not amendable to exact shell model diagonalizations. The distribution (in energy) of the states corresponding to a fixed symmetry is then defined by a small number of low-order energy moments. Since the Hamiltonian is defined in few-particle subspaces embedded in the n-particlespace, the low-order moments, we are interested in, can be expressed in terms of simpler quantities defined in those few-particle subspaces: the information is said to propagate from the simple subspaces to the more complicated ones. The possibility of actually calculating spectral distributions depends upon the finding of simple ways to propagate the information

  4. Spectral and Diffraction Tomography

    OpenAIRE

    Lionheart, William

    2016-01-01

    We discuss several cases of what we call "Rich Tomography" problems in which more data is measured than a scalar for each ray. We give examples of infra red spectral tomography and Bragg edge neutron tomography in which the data is insufficient. For diffraction tomography of strain for polycrystaline materials we give an explicit reconstruction procedure. We go on to describe a way to find six independent rotation axes using Pascal's theorem of projective geometry

  5. Spectral correlation functions of the sum of two independent complex Wishart matrices with unequal covariances

    International Nuclear Information System (INIS)

    Akemann, Gernot; Checinski, Tomasz; Kieburg, Mario

    2016-01-01

    We compute the spectral statistics of the sum H of two independent complex Wishart matrices, each of which is correlated with a different covariance matrix. Random matrix theory enjoys many applications including sums and products of random matrices. Typically ensembles with correlations among the matrix elements are much more difficult to solve. Using a combination of supersymmetry, superbosonisation and bi-orthogonal functions we are able to determine all spectral k -point density correlation functions of H for arbitrary matrix size N . In the half-degenerate case, when one of the covariance matrices is proportional to the identity, the recent results by Kumar for the joint eigenvalue distribution of H serve as our starting point. In this case the ensemble has a bi-orthogonal structure and we explicitly determine its kernel, providing its exact solution for finite N . The kernel follows from computing the expectation value of a single characteristic polynomial. In the general non-degenerate case the generating function for the k -point resolvent is determined from a supersymmetric evaluation of the expectation value of k ratios of characteristic polynomials. Numerical simulations illustrate our findings for the spectral density at finite N and we also give indications how to do the asymptotic large- N analysis. (paper)

  6. Unsupervised Classification of Mercury's Surface Spectral and Chemical Characteristics

    Science.gov (United States)

    D'Amore, M.; Helbert, J.; Ferrari, S.; Maturilli, A.; Nittler, L. R.; Domingue, D. L.; Vilas, F.; Weider, S. Z.; Starr, R. D.; Crapster-Pregont, E. J.; Ebel, D. S.; Solomon, S. C.

    2014-12-01

    The spectral reflectance of Mercury's surface has been mapped in the 400-1145 nm wavelength range by the Mercury Atmospheric and Surface Composition Spectrometer (MASCS) instrument during orbital observations by the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft. Under the hypothesis that surface compositional information can be efficiently derived from such spectral measurements with the use of statistical techniques, we have conducted unsupervised hierarchical clustering analyses to identify and characterize spectral units from MASCS observations. The results display a large-scale dichotomy, with two spectrally distinct units: polar and equatorial, possibly linked to differences in surface environment or composition. The spatial extent of the polar unit in the northern hemisphere correlates approximately with that of the northern volcanic plains. To explore possible relations between composition and spectral behavior, we have compared the spectral units with elemental abundance maps derived from MESSENGER's X-Ray Spectrometer (XRS). It is important to note that the mapping coverage for XRS differs from that of MASCS, particularly for the heavy elements. Nonetheless, by comparing the visible and near-infrared MASCS and XRS datasets and investigating the links between them, we seek further clues to the formation and evolution of Mercury's crust. Moreover, the methodology will permit automation of the production of new maps of the spectral and chemical signature of the surface.

  7. The origin of the ore-bearing solution in the Pb-Zn veins of the western Harz, Germany, as deduced from rare-earth element and isotope distributions in calcites

    International Nuclear Information System (INIS)

    Moeller, P.; Parekh, P.P.; Morteani, G.; Hoefs, J.

    1979-01-01

    Rare-earth element (REE) and stable-isotope distribution patterns in calcites from the mining areas of St. Andreasberg, Clausthal and Bad Grund, western Harz, Germany, have been determined. Three types of REE distribution patterns were found: type I is characterized by high amounts of light REE without any Ce and Eu anomalies and relativity homogeneous C- and O-isotopic composition. Type II displays conspicuous Ce and Eu anomalies at lower levels of concentration of the light REE. Type III has very low amounts of REE. Type II and III exhibit a more variable C-isotopic composition than type I. The calcite with type I patterns is assumed to be derived mainly from magnetic waters. A possible source for the magnetic waters seems to be the Brocken-Oker granite. Type-II calcites and the sulfides are probably derived from upheated country rock whereas calcite with type-III pattern mineralized from relatively cold descending solutions. The calcite with type-I pattern turns out to be not in equilibrium with sulfides, although both are in intimate contact, e.g. in banded ores. This non-equilibrium indicates two independent sources for this calcite with type-I pattern and the sulfides. (Auth.)

  8. [Enhancement effect of double-beam laser processed aqueous solution on ICP emission spectrum].

    Science.gov (United States)

    Chen, Jin-zhong; Xu, Li-jing; Su, Hong-xin; Li, Xu; Wang, Shu-fang

    2015-01-01

    In order to change the physical properties of aqueous solution and improve the radiation intensity of the ICP emission spectrum, the effects of different laser power density and irradiation time on the surface tension and viscosity of aqueous solution were investigated by using near infrared laser at 976 nm and CO2 laser at 10. 6 µm to irradiate aqueous solution orthogonally, then the enhancement of ICP spectral intensity with processed solution was discussed. The results showed that the surface tension and viscosity of aqueous solution reduced by 42. 13% and 14. 03% compared with the untreated, and the atomization efficiency increased by 51.26% at the laser power density 0. 265 7 W . cm-2 of 976 nm and 0. 206 9 W . cm-2 of CO2 laser with 40 min irradiation time. With the optimized aqueous solution introduced into the ICP source, the spectral line intensity of sample elements As, Cd, Cr, Hg and Pb was enhanced by 46.29%, 94. 65%, 30. 76%, 33.07% and 94. 58% compared to the untreated aqueous solution, while the signal-to-background ratio increased by 43. 84%, 85. 35%, 28. 71%, 34. 37% and 90. 91%, respectively. Plasma temperature and electron density also increased by 5. 94% and 1. 18% respectively. It is obvious that the method of double-beam laser orthogonal irradiation on solution can reduce the surface tension and viscosity of aqueous solution significantly, and raise the radiationintensity of ICP source, and will provide a better condition for detecting the trace heavy metal elements in water samples.

  9. Evolutionary Computing Methods for Spectral Retrieval

    Science.gov (United States)

    Terrile, Richard; Fink, Wolfgang; Huntsberger, Terrance; Lee, Seugwon; Tisdale, Edwin; VonAllmen, Paul; Tinetti, Geivanna

    2009-01-01

    A methodology for processing spectral images to retrieve information on underlying physical, chemical, and/or biological phenomena is based on evolutionary and related computational methods implemented in software. In a typical case, the solution (the information that one seeks to retrieve) consists of parameters of a mathematical model that represents one or more of the phenomena of interest. The methodology was developed for the initial purpose of retrieving the desired information from spectral image data acquired by remote-sensing instruments aimed at planets (including the Earth). Examples of information desired in such applications include trace gas concentrations, temperature profiles, surface types, day/night fractions, cloud/aerosol fractions, seasons, and viewing angles. The methodology is also potentially useful for retrieving information on chemical and/or biological hazards in terrestrial settings. In this methodology, one utilizes an iterative process that minimizes a fitness function indicative of the degree of dissimilarity between observed and synthetic spectral and angular data. The evolutionary computing methods that lie at the heart of this process yield a population of solutions (sets of the desired parameters) within an accuracy represented by a fitness-function value specified by the user. The evolutionary computing methods (ECM) used in this methodology are Genetic Algorithms and Simulated Annealing, both of which are well-established optimization techniques and have also been described in previous NASA Tech Briefs articles. These are embedded in a conceptual framework, represented in the architecture of the implementing software, that enables automatic retrieval of spectral and angular data and analysis of the retrieved solutions for uniqueness.

  10. Power Spectral Density Conversions and Nonlinear Dynamics

    Directory of Open Access Journals (Sweden)

    Mostafa Rassaian

    1994-01-01

    Full Text Available To predict the vibration environment of a payload carried by a ground or air transporter, mathematical models are required from which a transfer function to a prescribed input can be calculated. For sensitive payloads these models typically include linear shock isolation system stiffness and damping elements relying on the assumption that the isolation system has a predetermined characteristic frequency and damping ratio independent of excitation magnitude. In order to achieve a practical spectral analysis method, the nonlinear system has to be linearized when the input transportation and handling vibration environment is in the form of an acceleration power spectral density. Test data from commercial isolators show that when nonlinear stiffness and damping effects exist the level of vibration input causes a variation in isolator resonant frequency. This phenomenon, described by the stationary response of the Duffing oscillator to narrow-band Gaussian random excitation, requires an alternative approach for calculation of power spectral density acceleration response at a shock isolated payload under random vibration. This article details the development of a plausible alternative approach for analyzing the spectral response of a nonlinear system subject to random Gaussian excitations.

  11. Spectral manifestation of distorted forms metalloporphyrins at low temperatures

    Science.gov (United States)

    Starukhin, Aleksander; Gorski, Aleksander; Kijak, Michal

    2017-10-01

    Different spectral forms of a set of metalloporphyrins with Mg (II), Zn (II), Pd (II) and Pt (II) ions in solid solutions (Shpol'skii matrices, solid tetrahydrofuran and solid rare gas matrices) have been detected in the absorption and luminescence spectra at cryogenic temperatures. The spectral manifestation of a planar form, as well as two distorted forms for Mg- and Zn-porpyrins was formed in the ground electronic state at low temperatures. An existence of two spectral forms of Pd and Pt-porphyrins was observed in their phosphorescence spectra. In the case of Mg-porphyrin the spectral shift between positions of 0-0 transitions the planar and first distorted spectral forms is about 220 cm-1.

  12. Spectral manifestation of distorted forms metalloporphyrins at low temperatures

    Directory of Open Access Journals (Sweden)

    Starukhin Aleksander

    2017-01-01

    Full Text Available Different spectral forms of a set of metalloporphyrins with Mg (II, Zn (II, Pd (II and Pt (II ions in solid solutions (Shpol'skii matrices, solid tetrahydrofuran and solid rare gas matrices have been detected in the absorption and luminescence spectra at cryogenic temperatures. The spectral manifestation of a planar form, as well as two distorted forms for Mg- and Zn-porpyrins was formed in the ground electronic state at low temperatures. An existence of two spectral forms of Pd and Pt-porphyrins was observed in their phosphorescence spectra. In the case of Mg-porphyrin the spectral shift between positions of 0-0 transitions the planar and first distorted spectral forms is about 220 cm-1.

  13. An implicit spectral formula for generalized linear Schroedinger equations

    International Nuclear Information System (INIS)

    Schulze-Halberg, A.; Garcia-Ravelo, J.; Pena Gil, Jose Juan

    2009-01-01

    We generalize the semiclassical Bohr–Sommerfeld quantization rule to an exact, implicit spectral formula for linear, generalized Schroedinger equations admitting a discrete spectrum. Special cases include the position-dependent mass Schroedinger equation or the Schroedinger equation for weighted energy. Requiring knowledge of the potential and the solution associated with the lowest spectral value, our formula predicts the complete spectrum in its exact form. (author)

  14. Darboux invariants of integrable equations with variable spectral parameters

    International Nuclear Information System (INIS)

    Shin, H J

    2008-01-01

    The Darboux transformation for integrable equations with variable spectral parameters is introduced. Darboux invariant quantities are calculated, which are used in constructing the Lax pair of integrable equations. This approach serves as a systematic method for constructing inhomogeneous integrable equations and their soliton solutions. The structure functions of variable spectral parameters determine the integrability and nonlinear coupling terms. Three cases of integrable equations are treated as examples of this approach

  15. Incompressible spectral-element method: Derivation of equations

    Science.gov (United States)

    Deanna, Russell G.

    1993-01-01

    A fractional-step splitting scheme breaks the full Navier-Stokes equations into explicit and implicit portions amenable to the calculus of variations. Beginning with the functional forms of the Poisson and Helmholtz equations, we substitute finite expansion series for the dependent variables and derive the matrix equations for the unknown expansion coefficients. This method employs a new splitting scheme which differs from conventional three-step (nonlinear, pressure, viscous) schemes. The nonlinear step appears in the conventional, explicit manner, the difference occurs in the pressure step. Instead of solving for the pressure gradient using the nonlinear velocity, we add the viscous portion of the Navier-Stokes equation from the previous time step to the velocity before solving for the pressure gradient. By combining this 'predicted' pressure gradient with the nonlinear velocity in an explicit term, and the Crank-Nicholson method for the viscous terms, we develop a Helmholtz equation for the final velocity.

  16. Stability estimates for hp spectral element methods for elliptic ...

    Indian Academy of Sciences (India)

    In each of these sectoral neighborhoods we use a local coordinate system ( k , k ) where k = l n r k and ( r k , k ) are polar coordinates with origin at A k , as first proposed by Kondratiev. We then derive differentiability estimates with respect to these new variables and a stability estimate for the functional we minimize.

  17. h-p Spectral element methods for three dimensional elliptic ...

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... Home; Journals; Proceedings – Mathematical Sciences; Volume 125; Issue 2 ... Jaipur 302 031, India; TIFR Centre For Applicable Mathematics, Tata Institute of Fundamental Research, Bangalore 560 065, India; Department of Aerospace Engineering, Indian Institute of Technology, Kanpur 208 016, India ...

  18. h-p Spectral element methods for three dimensional elliptic ...

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... Home; Journals; Proceedings – Mathematical Sciences; Volume 125; Issue 3 ... Jaipur 302 031, India; TIFR Centre For Applicable Mathematics, Tata Institute of Fundamental Research, Bangalore 560 065, India; Department of Aerospace Engineering, Indian Institute of Technology, Kanpur 208 016, India ...

  19. A Spectral Element Eulerian-Lagrangian Atmospheric Model (SEELAM)

    National Research Council Canada - National Science Library

    Giraldo, Francis X

    2008-01-01

    ...) method is presented. This paper represents a departure from previously published work on solving the atmospheric equations in that the horizontal operators are all written, discretized, and solved in 3D Cartesian space...

  20. Solution structure of loperamide and -cyclodextrin inclusion ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 121; Issue 4. Solution structure of loperamide and -cyclodextrin ... 2D COSY spectral data was used for assignment of -CD as well as LPR protons and 2D ROESY spectral data to know the inclusion of LPR inside the -CD cavity. The 1 : 1 stoichiometry and overall ...

  1. Spectral signature selection for mapping unvegetated soils

    Science.gov (United States)

    May, G. A.; Petersen, G. W.

    1975-01-01

    Airborne multispectral scanner data covering the wavelength interval from 0.40-2.60 microns were collected at an altitude of 1000 m above the terrain in southeastern Pennsylvania. Uniform training areas were selected within three sites from this flightline. Soil samples were collected from each site and a procedure developed to allow assignment of scan line and element number from the multispectral scanner data to each sampling location. These soil samples were analyzed on a spectrophotometer and laboratory spectral signatures were derived. After correcting for solar radiation and atmospheric attenuation, the laboratory signatures were compared to the spectral signatures derived from these same soils using multispectral scanner data. Both signatures were used in supervised and unsupervised classification routines. Computer-generated maps using the laboratory and multispectral scanner derived signatures resulted in maps that were similar to maps resulting from field surveys. Approximately 90% agreement was obtained between classification maps produced using multispectral scanner derived signatures and laboratory derived signatures.

  2. Spectral theory of linear operators and spectral systems in Banach algebras

    CERN Document Server

    Müller, Vladimir

    2003-01-01

    This book is dedicated to the spectral theory of linear operators on Banach spaces and of elements in Banach algebras. It presents a survey of results concerning various types of spectra, both of single and n-tuples of elements. Typical examples are the one-sided spectra, the approximate point, essential, local and Taylor spectrum, and their variants. The theory is presented in a unified, axiomatic and elementary way. Many results appear here for the first time in a monograph. The material is self-contained. Only a basic knowledge of functional analysis, topology, and complex analysis is assumed. The monograph should appeal both to students who would like to learn about spectral theory and to experts in the field. It can also serve as a reference book. The present second edition contains a number of new results, in particular, concerning orbits and their relations to the invariant subspace problem. This book is dedicated to the spectral theory of linear operators on Banach spaces and of elements in Banach alg...

  3. QCD spectral sum rules

    CERN Document Server

    Narison, Stéphan

    The aim of the book is to give an introduction to the method of QCD Spectral Sum Rules and to review its developments. After some general introductory remarks, Chiral Symmetry, the Historical Developments of the Sum Rules and the necessary materials for perturbative QCD including the MS regularization and renormalization schemes are discussed. The book also gives a critical review and some improvements of the wide uses of the QSSR in Hadron Physics and QSSR beyond the Standard Hadron Phenomenology. The author has participated actively in this field since 1978 just before the expanding success

  4. Spectral signatures of chirality

    DEFF Research Database (Denmark)

    Pedersen, Jesper Goor; Mortensen, Asger

    2009-01-01

    We present a new way of measuring chirality, via the spectral shift of photonic band gaps in one-dimensional structures. We derive an explicit mapping of the problem of oblique incidence of circularly polarized light on a chiral one-dimensional photonic crystal with negligible index contrast...... to the formally equivalent problem of linearly polarized light incident on-axis on a non-chiral structure with index contrast. We derive analytical expressions for the first-order shifts of the band gaps for negligible index contrast. These are modified to give good approximations to the band gap shifts also...

  5. Generalized multiscale finite element methods: Oversampling strategies

    KAUST Repository

    Efendiev, Yalchin R.

    2014-01-01

    In this paper, we propose oversampling strategies in the generalized multiscale finite element method (GMsFEM) framework. The GMsFEM, which has been recently introduced in Efendiev et al. (2013b) [Generalized Multiscale Finite Element Methods, J. Comput. Phys., vol. 251, pp. 116-135, 2013], allows solving multiscale parameter-dependent problems at a reduced computational cost by constructing a reduced-order representation of the solution on a coarse grid. The main idea of the method consists of (1) the construction of snapshot space, (2) the construction of the offline space, and (3) construction of the online space (the latter for parameter-dependent problems). In Efendiev et al. (2013b) [Generalized Multiscale Finite Element Methods, J. Comput. Phys., vol. 251, pp. 116-135, 2013], it was shown that the GMsFEM provides a flexible tool to solve multiscale problems with a complex input space by generating appropriate snapshot, offline, and online spaces. In this paper, we develop oversampling techniques to be used in this context (see Hou and Wu (1997) where oversampling is introduced for multiscale finite element methods). It is known (see Hou and Wu (1997)) that the oversampling can improve the accuracy of multiscale methods. In particular, the oversampling technique uses larger regions (larger than the target coarse block) in constructing local basis functions. Our motivation stems from the analysis presented in this paper, which shows that when using oversampling techniques in the construction of the snapshot space and offline space, GMsFEM will converge independent of small scales and high contrast under certain assumptions. We consider the use of a multiple eigenvalue problems to improve the convergence and discuss their relation to single spectral problems that use oversampled regions. The oversampling procedures proposed in this paper differ from those in Hou and Wu (1997). In particular, the oversampling domains are partially used in constructing local

  6. Generalized multiscale finite element methods (GMsFEM)

    KAUST Repository

    Efendiev, Yalchin R.

    2013-10-01

    In this paper, we propose a general approach called Generalized Multiscale Finite Element Method (GMsFEM) for performing multiscale simulations for problems without scale separation over a complex input space. As in multiscale finite element methods (MsFEMs), the main idea of the proposed approach is to construct a small dimensional local solution space that can be used to generate an efficient and accurate approximation to the multiscale solution with a potentially high dimensional input parameter space. In the proposed approach, we present a general procedure to construct the offline space that is used for a systematic enrichment of the coarse solution space in the online stage. The enrichment in the online stage is performed based on a spectral decomposition of the offline space. In the online stage, for any input parameter, a multiscale space is constructed to solve the global problem on a coarse grid. The online space is constructed via a spectral decomposition of the offline space and by choosing the eigenvectors corresponding to the largest eigenvalues. The computational saving is due to the fact that the construction of the online multiscale space for any input parameter is fast and this space can be re-used for solving the forward problem with any forcing and boundary condition. Compared with the other approaches where global snapshots are used, the local approach that we present in this paper allows us to eliminate unnecessary degrees of freedom on a coarse-grid level. We present various examples in the paper and some numerical results to demonstrate the effectiveness of our method. © 2013 Elsevier Inc.

  7. Generalized Stokes eignefunctions: a new trial basis for the solution of incompressible Navier-Stokes equations

    International Nuclear Information System (INIS)

    Batcho, P.F.; Karniadakis, G.E.

    1994-01-01

    The present study focuses on the solution of the incompressible Navier-Stokes equations in general, non-separable domains, and employs a Galerkin projection of divergence-free vector functions as a trail basis. This basis is obtained from the solution of a generalized constrained Stokes eigen-problem in the domain of interest. Faster convergence can be achieved by constructing a singular Stokes eigen-problem in which the Stokes operator is modified to include a variable coefficient which vanishes at the domain boundaries. The convergence properties of such functions are advantageous in a least squares sense and are shown to produce significantly better approximations to the solution of the Navier-Stokes equations in post-critical states where unsteadiness characterizes the flowfield. Solutions for the eigen-systems are efficiently accomplished using a combined Lanczos-Uzawa algorithm and spectral element discretizations. Results are presented for different simulations using these global spectral trial basis on non-separable and multiply-connected domains. It is confirmed that faster convergence is obtained using the singular eigen-expansions in approximating stationary Navier-Stokes solutions in general domains. It is also shown that 100-mode expansions of time-dependent solutions based on the singular Stokes eigenfunctions are sufficient to accurately predict the dynamics of flows in such domains, including Hopf bifurcations, intermittency, and details of flow structures

  8. Mechanisms of neptunium redox reactions in nitric acid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Chatterjee, Sayandev; Bryan, Samuel A.; Casella, Amanda J.; Peterson, James M.; Levitskaia, Tatiana G.

    2017-01-01

    First transuranium element neptunium (Np) exhibits complicated behavior in acidic solutions because it can adopt wide range of oxidation states typically from +3 to +6 and coordinate large variety of ligands. In particular, accurate determination of Np redox potentials in nitric acid solutions is challenging due to overlapping chemical and electrochemical reactions leading to significant experimental uncertainties. Furthermore, over past decades spectrophotometry has been extensively applied to identify and characterize Np solution species in different oxidation states. However, relevant spectral database of Np in nitric acid solutions that can serve for the reference purposes has yet to be established due to the experimental difficulty to isolate and stabilize Np species in pure oxidation states without compromising solution optical properties. This work demonstrates that combination of voltammetry and controlled-potential in situ thin-layer spectropotentiometry overcomes these challenges so that Np species in pure +3, +4, +5, or +6 oxidation states were electrochemically generated in the systematically varied 0.1 – 5 M nitric acid solutions, and corresponding vis-NIR spectral signatures were obtained. In situ optical monitoring of the interconversion between adjacent Np oxidation states resulted in elucidation of the mechanisms of the involved redox reactions, in-depth understanding of the relative stability of the Np oxidation states, and allowed benchmarking of the redox potentials of the NpO22+/NpO2+, NpO2+/Np4+ and Np4+/Np3+ couples. Notably, the NpO2+/Np4+ couple was distinguished from the proximal Np4+/Np3+ process overcoming previous concerns and challenges encountered in accurate determination of the respective potentials.

  9. Further development of artificial neural networks for spectral interference correction in optical emission spectrometry

    Science.gov (United States)

    Li, Z.; Huang, S.; Karanassios, V.

    2012-06-01

    Spectral overlaps causing spectral interference are a key concern in elemental analysis by optical emission spectrometry. Spectral interferences are addressed using a variety of methods, including artificial neural networks (ANNs). In my lab, these methods are being developed using both experimentally-obtained results and spectral simulations. ANNs are being developed for inductively coupled plasma-atomic emission spectrometry (ICP-AES) and for optical emission measurements using microplasmas and portable emission spectrometers. In this paper, the application of ANNS for spectral interference correction is described in some detail.

  10. The elements of life

    Directory of Open Access Journals (Sweden)

    Sergey P. Fedotov

    2016-11-01

    Full Text Available Article "Elements of Life" offers a hypothesis about the relationship of the phenomenon of traditional Chinese medicine with the physical laws. It shows the principle of forming a sequence of daily activity of the acupuncture meridians as a consequence of the Doppler effect in the process of flowing around the planet Earth by cosmic wind (by Ether. In accordance with this specification the daily structure of meridians had been built. It is suggested that the essence of the Chinese Qi (Chi are vibrations of a certain range in the medium. Consequently, it became possible to set the interrelation of frequencies of the visible spectrum with certain meridians. It is shown that the topological relationship of ancient (barrier points of the Five Elements (Wu-Shu points are associated with the wave lengths of the so-called Qi. It is shown also that the essence of the Wu-Xing law is based on daily circulation patterns of meridians. The examples of the surrounding world, including pulses processes in the human body, are confirming the above mentioned theses. A correlation diagram between the main elements by Dr. Samohotsky A.S. (dissertation "The experience of the definition of medical laws", 1946 and the Five Elements of traditional Chinese philosophy is established. The above represented hypotheses are yet introduced in practice in form of pulse spectral analysis system.

  11. Spectral theory and nonlinear functional analysis

    CERN Document Server

    Lopez-Gomez, Julian

    2001-01-01

    This Research Note addresses several pivotal problems in spectral theory and nonlinear functional analysis in connection with the analysis of the structure of the set of zeroes of a general class of nonlinear operators. It features the construction of an optimal algebraic/analytic invariant for calculating the Leray-Schauder degree, new methods for solving nonlinear equations in Banach spaces, and general properties of components of solutions sets presented with minimal use of topological tools. The author also gives several applications of the abstract theory to reaction diffusion equations and systems.The results presented cover a thirty-year period and include recent, unpublished findings of the author and his coworkers. Appealing to a broad audience, Spectral Theory and Nonlinear Functional Analysis contains many important contributions to linear algebra, linear and nonlinear functional analysis, and topology and opens the door for further advances.

  12. Solution of the Rayleigh-Plesset Equation Through the Finite Element Method Solución de la ecuación de Rayleigh-Plesset por medio del método del elemento finito

    Directory of Open Access Journals (Sweden)

    G.A Ramírez R.

    2013-03-01

    Full Text Available In this work we present numerical solutions of the Rayleigh-Plesset equation which describes the evolution of cavitating bubbles. In order to do that, we consider FEMG (Finite Element Method Galerkin; this simulation is performed for an inviscid and incompressible fluid in an uniform temperature field with constant surface tension, and the cavitation model into the which the pressure inside bubbles is equal to the fluid vapor pressure. Thus, in this problem is considered the Dirichlet boundary problem, and we obtained criteria for the boundary conditions at the cavitation phenomenon through to the which give rise to the bubble growing.En este trabajo se plantean soluciones numéricas a la ecuación de Rayleigh-Plesset que describe la evolución de las burbujas en la cavitación. Para ello, se considera el MEFG (Método del Elemento Finito de Galerkin; tal simulación se realiza en un fluido invíscido e incompresible en un campo de temperatura uniforme, una tensión superficial esencialmente constante, y el modelo de cavitación en el flujo siendo la presión interna de las burbujas igual a la presión de vapor del fluido. De esta manera, para el problema se considera el problema de Dirichlet y se obtienen los criterios de frontera que auspician el fenómeno de cavitación a través del crecimiento de las burbujas o cavidades.

  13. Intensity Conserving Spectral Fitting

    Science.gov (United States)

    Klimchuk, J. A.; Patsourakos, S.; Tripathi, D.

    2015-01-01

    The detailed shapes of spectral line profiles provide valuable information about the emitting plasma, especially when the plasma contains an unresolved mixture of velocities, temperatures, and densities. As a result of finite spectral resolution, the intensity measured by a spectrometer is the average intensity across a wavelength bin of non-zero size. It is assigned to the wavelength position at the center of the bin. However, the actual intensity at that discrete position will be different if the profile is curved, as it invariably is. Standard fitting routines (spline, Gaussian, etc.) do not account for this difference, and this can result in significant errors when making sensitive measurements. Detection of asymmetries in solar coronal emission lines is one example. Removal of line blends is another. We have developed an iterative procedure that corrects for this effect. It can be used with any fitting function, but we employ a cubic spline in a new analysis routine called Intensity Conserving Spline Interpolation (ICSI). As the name implies, it conserves the observed intensity within each wavelength bin, which ordinary fits do not. Given the rapid convergence, speed of computation, and ease of use, we suggest that ICSI be made a standard component of the processing pipeline for spectroscopic data.

  14. Finite elements and approximation

    CERN Document Server

    Zienkiewicz, O C

    2006-01-01

    A powerful tool for the approximate solution of differential equations, the finite element is extensively used in industry and research. This book offers students of engineering and physics a comprehensive view of the principles involved, with numerous illustrative examples and exercises.Starting with continuum boundary value problems and the need for numerical discretization, the text examines finite difference methods, weighted residual methods in the context of continuous trial functions, and piecewise defined trial functions and the finite element method. Additional topics include higher o

  15. Composite spectral functions for solving Volterra's population model

    International Nuclear Information System (INIS)

    Ramezani, M.; Razzaghi, M.; Dehghan, M.

    2007-01-01

    An approximate method for solving Volterra's population model for population growth of a species in a closed system is proposed. Volterra's model is a nonlinear integro-differential equation, where the integral term represents the effect of toxin. The approach is based upon composite spectral functions approximations. The properties of composite spectral functions consisting of few terms of orthogonal functions are presented and are utilized to reduce the solution of the Volterra's model to the solution of a system of algebraic equations. The method is easy to implement and yields very accurate result

  16. Convergence of spectral methods for nonlinear conservation laws. Final report

    International Nuclear Information System (INIS)

    Tadmor, E.

    1987-08-01

    The convergence of the Fourier method for scalar nonlinear conservation laws which exhibit spontaneous shock discontinuities is discussed. Numerical tests indicate that the convergence may (and in fact in some cases must) fail, with or without post-processing of the numerical solution. Instead, a new kind of spectrally accurate vanishing viscosity is introduced to augment the Fourier approximation of such nonlinear conservation laws. Using compensated compactness arguments, it is shown that this spectral viscosity prevents oscillations, and convergence to the unique entropy solution follows

  17. The convergence of spectral methods for nonlinear conservation laws

    Science.gov (United States)

    Tadmor, Eitan

    1987-01-01

    The convergence of the Fourier method for scalar nonlinear conservation laws which exhibit spontaneous shock discontinuities is discussed. Numerical tests indicate that the convergence may (and in fact in some cases must) fail, with or without post-processing of the numerical solution. Instead, a new kind of spectrally accurate vanishing viscosity is introduced to augment the Fourier approximation of such nonlinear conservation laws. Using compensated compactness arguments, it is shown that this spectral viscosity prevents oscillations, and convergence to the unique entropy solution follows.

  18. Analysis of the spectral vanishing viscosity method for periodic conservation laws

    Science.gov (United States)

    Maday, Yvon; Tadmor, Eitan

    1988-01-01

    The convergence of the spectral vanishing method for both the spectral and pseudospectral discretizations of the inviscid Burgers' equation is analyzed. It is proven that this kind of vanishing viscosity is responsible for a spectral decay of those Fourier coefficients located toward the end of the computed spectrum; consequently, the discretization error is shown to be spectrally small independent of whether the underlying solution is smooth or not. This in turn implies that the numerical solution remains uniformly bounded and convergence follows by compensated compactness arguments.

  19. Spectral clustering for water body spectral types analysis

    Science.gov (United States)

    Huang, Leping; Li, Shijin; Wang, Lingli; Chen, Deqing

    2017-11-01

    In order to study the spectral types of water body in the whole country, the key issue of reservoir research is to obtain and to analyze the information of water body in the reservoir quantitatively and accurately. A new type of weight matrix is constructed by utilizing the spectral features and spatial features of the spectra from GF-1 remote sensing images comprehensively. Then an improved spectral clustering algorithm is proposed based on this weight matrix to cluster representative reservoirs in China. According to the internal clustering validity index which called Davies-Bouldin(DB) index, the best clustering number 7 is obtained. Compared with two clustering algorithms, the spectral clustering algorithm based only on spectral features and the K-means algorithm based on spectral features and spatial features, simulation results demonstrate that the proposed spectral clustering algorithm based on spectral features and spatial features has a higher clustering accuracy, which can better reflect the spatial clustering characteristics of representative reservoirs in various provinces in China - similar spectral properties and adjacent geographical locations.

  20. Application of prominent spectral lines in the 125-180 nm range for inductively coupled plasma optical emission spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, O.; Heitland, P. [Spectro Analytical Instruments GmbH, Kleve (Germany)

    2001-12-01

    A new axially viewed ICP optical emission spectrometer featuring an argon-filled optic and CCD detectors was evaluated for the application of prominent spectral lines in the 125-180 nm range. This wavelength range was investigated for several analytical applications of inductively coupled plasma optical emission spectrometry (ICP-OES). There are different advantages for the application of spectral lines below 180 nm. A number of elements, such as Al, Br, Cl, Ga, Ge, I, In, N, P, Pb, Pt, S and Te, were found to have the most intense spectral lines in the wavelength range from 125-180 nm. Compared with lines above 180 nm higher signal-to-background ratios were found. Low limits of detection using pneumatic nebulization of aqueous solutions for sample introduction were calculated for Al II 167.080 nm (0.04 {mu}g L{sup -1}), Br I 154.065 nm (9 {mu}g L{sup -1}), Cl I 134.724 nm (19 {mu}g L{sup -1}), Ga II 141.444 nm (0.8 {mu}g L{sup -1}), Ge II 164.919 nm (1.3 {mu}g L{sup -1}), I I 142.549 nm (13 {mu}g L{sup -1}), In II 158.583 nm (0.2 {mu}g L{sup -1}), P I 177.500 nm (0.9 {mu}g L{sup -1}), Pb II 168.215 nm (1.5 {mu}g L{sup -1}), Pt II 177.709 nm (2.6 {mu}g L{sup -1}), S I 180.731 nm (1.9 {mu}g L{sup -1}) and Te I 170.00 nm (4.6 {mu}g L{sup -1}). Numerous application examples for the use of those lines and other important spectral lines below 180 nm are given. Because of fewer emission lines from transition elements, such as Fe, Co, Cr, lines below 180 nm often offer freedom from spectral interferences. Additional lines of lower intensity for the determination of higher elemental concentrations are also available in the vacuum ultraviolet spectral range. This is specially useful when the concentrations are not in the linear range of calibration curves obtained with commonly used lines. (orig.)