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Sample records for efficient numerical methods

  1. Efficient numerical method for analyzing optical bistability in photonic crystal microcavities.

    PubMed

    Yuan, Lijun; Lu, Ya Yan

    2013-05-20

    Nonlinear optical effects can be enhanced by photonic crystal microcavities and be used to develop practical ultra-compact optical devices with low power requirements. The finite-difference time-domain method is the standard numerical method for simulating nonlinear optical devices, but it has limitations in terms of accuracy and efficiency. In this paper, a rigorous and efficient frequency-domain numerical method is developed for analyzing nonlinear optical devices where the nonlinear effect is concentrated in the microcavities. The method replaces the linear problem outside the microcavities by a rigorous and numerically computed boundary condition, then solves the nonlinear problem iteratively in a small region around the microcavities. Convergence of the iterative method is much easier to achieve since the size of the problem is significantly reduced. The method is presented for a specific two-dimensional photonic crystal waveguide-cavity system with a Kerr nonlinearity, using numerical methods that can take advantage of the geometric features of the structure. The method is able to calculate multiple solutions exhibiting the optical bistability phenomenon in the strongly nonlinear regime.

  2. Efficient numerical method for analyzing optical bistability in photonic crystal microcavities.

    PubMed

    Yuan, Lijun; Lu, Ya Yan

    2013-05-20

    Nonlinear optical effects can be enhanced by photonic crystal microcavities and be used to develop practical ultra-compact optical devices with low power requirements. The finite-difference time-domain method is the standard numerical method for simulating nonlinear optical devices, but it has limitations in terms of accuracy and efficiency. In this paper, a rigorous and efficient frequency-domain numerical method is developed for analyzing nonlinear optical devices where the nonlinear effect is concentrated in the microcavities. The method replaces the linear problem outside the microcavities by a rigorous and numerically computed boundary condition, then solves the nonlinear problem iteratively in a small region around the microcavities. Convergence of the iterative method is much easier to achieve since the size of the problem is significantly reduced. The method is presented for a specific two-dimensional photonic crystal waveguide-cavity system with a Kerr nonlinearity, using numerical methods that can take advantage of the geometric features of the structure. The method is able to calculate multiple solutions exhibiting the optical bistability phenomenon in the strongly nonlinear regime. PMID:23736417

  3. AN EFFICIENT NUMERICAL METHOD FOR THE SOLUTION OF THE L(2) OPTIMAL MASS TRANSFER PROBLEM.

    PubMed

    Haber, Eldad; Rehman, Tauseef; Tannenbaum, Allen

    2010-01-01

    In this paper we present a new computationally efficient numerical scheme for the minimizing flow approach for the computation of the optimal L(2) mass transport mapping. In contrast to the integration of a time dependent partial differential equation proposed in [S. Angenent, S. Haker, and A. Tannenbaum, SIAM J. Math. Anal., 35 (2003), pp. 61-97], we employ in the present work a direct variational method. The efficacy of the approach is demonstrated on both real and synthetic data. PMID:21278828

  4. AN EFFICIENT NUMERICAL METHOD FOR THE SOLUTION OF THE L2 OPTIMAL MASS TRANSFER PROBLEM*

    PubMed Central

    Haber, Eldad; Rehman, Tauseef; Tannenbaum, Allen

    2010-01-01

    In this paper we present a new computationally efficient numerical scheme for the minimizing flow approach for the computation of the optimal L2 mass transport mapping. In contrast to the integration of a time dependent partial differential equation proposed in [S. Angenent, S. Haker, and A. Tannenbaum, SIAM J. Math. Anal., 35 (2003), pp. 61–97], we employ in the present work a direct variational method. The efficacy of the approach is demonstrated on both real and synthetic data. PMID:21278828

  5. A comparison of the efficiency of numerical methods for integrating chemical kinetic rate equations

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, K.

    1984-01-01

    The efficiency of several algorithms used for numerical integration of stiff ordinary differential equations was compared. The methods examined included two general purpose codes EPISODE and LSODE and three codes (CHEMEQ, CREK1D and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes were applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code available for the integration of combustion kinetic rate equations. It is shown that an iterative solution of the algebraic energy conservation equation to compute the temperature can be more efficient then evaluating the temperature by integrating its time-derivative.

  6. Efficient and accurate numerical methods for the Klein-Gordon-Schroedinger equations

    SciTech Connect

    Bao, Weizhu . E-mail: bao@math.nus.edu.sg; Yang, Li . E-mail: yangli@nus.edu.sg

    2007-08-10

    In this paper, we present efficient, unconditionally stable and accurate numerical methods for approximations of the Klein-Gordon-Schroedinger (KGS) equations with/without damping terms. The key features of our methods are based on: (i) the application of a time-splitting spectral discretization for a Schroedinger-type equation in KGS (ii) the utilization of Fourier pseudospectral discretization for spatial derivatives in the Klein-Gordon equation in KGS (iii) the adoption of solving the ordinary differential equations (ODEs) in phase space analytically under appropriate chosen transmission conditions between different time intervals or applying Crank-Nicolson/leap-frog for linear/nonlinear terms for time derivatives. The numerical methods are either explicit or implicit but can be solved explicitly, unconditionally stable, and of spectral accuracy in space and second-order accuracy in time. Moreover, they are time reversible and time transverse invariant when there is no damping terms in KGS, conserve (or keep the same decay rate of) the wave energy as that in KGS without (or with a linear) damping term, keep the same dynamics of the mean value of the meson field, and give exact results for the plane-wave solution. Extensive numerical tests are presented to confirm the above properties of our numerical methods for KGS. Finally, the methods are applied to study solitary-wave collisions in one dimension (1D), as well as dynamics of a 2D problem in KGS.

  7. A comparison of the efficiency of numerical methods for integrating chemical kinetic rate equations

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, K.

    1984-01-01

    A comparison of the efficiency of several algorithms recently developed for the efficient numerical integration of stiff ordinary differential equations is presented. The methods examined include two general-purpose codes EPISODE and LSODE and three codes (CHEMEQ, CREK1D, and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes are applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code currently available for the integration of combustion kinetic rate equations. An important finding is that an iterative solution of the algebraic energy conservation equation to compute the temperature can be more efficient than evaluating the temperature by integrating its time-derivative.

  8. An efficient numerical method for computing dynamics of spin F = 2 Bose-Einstein condensates

    SciTech Connect

    Wang Hanquan

    2011-07-01

    In this paper, we extend the efficient time-splitting Fourier pseudospectral method to solve the generalized Gross-Pitaevskii (GP) equations, which model the dynamics of spin F = 2 Bose-Einstein condensates at extremely low temperature. Using the time-splitting technique, we split the generalized GP equations into one linear part and two nonlinear parts: the linear part is solved with the Fourier pseudospectral method; one of nonlinear parts is solved analytically while the other one is reformulated into a matrix formulation and solved by diagonalization. We show that the method keeps well the conservation laws related to generalized GP equations in 1D and 2D. We also show that the method is of second-order in time and spectrally accurate in space through a one-dimensional numerical test. We apply the method to investigate the dynamics of spin F = 2 Bose-Einstein condensates confined in a uniform/nonuniform magnetic field.

  9. Efficient numerical methods for computing ground states of spin-1 Bose–Einstein condensates based on their characterizations

    SciTech Connect

    Bao, Weizhu; Chern, I-Liang; Zhang, Yanzhi

    2013-11-15

    In this paper, we propose efficient numerical methods for computing ground states of spin-1 Bose–Einstein condensates (BECs) with/without the Ioffe–Pritchard magnetic field B(x). When B(x)≠0, a numerical method is introduced to compute the ground states and it is also applied to study properties of ground states. Numerical results suggest that the densities of m{sub F}=±1 components in ground states are identical for any nonzero B(x). In particular, if B(x)≡B≠0 is a constant, the ground states satisfy the single-mode approximation. When B(x)≡0, efficient and simpler numerical methods are presented to solve the ground states of spin-1 BECs based on their ferromagnetic/antiferromagnetic characterizations. Numerical simulations show that our methods are more efficient than those in the literature. In addition, some conjectures are made from our numerical observations.

  10. An Efficient numerical method to calculate the conductivity tensor for disordered topological matter

    NASA Astrophysics Data System (ADS)

    Garcia, Jose H.; Covaci, Lucian; Rappoport, Tatiana G.

    2015-03-01

    We propose a new efficient numerical approach to calculate the conductivity tensor in solids. We use a real-space implementation of the Kubo formalism where both diagonal and off-diagonal conductivities are treated in the same footing. We adopt a formulation of the Kubo theory that is known as Bastin formula and expand the Green's functions involved in terms of Chebyshev polynomials using the kernel polynomial method. Within this method, all the computational effort is on the calculation of the expansion coefficients. It also has the advantage of obtaining both conductivities in a single calculation step and for various values of temperature and chemical potential, capturing the topology of the band-structure. Our numerical technique is very general and is suitable for the calculation of transport properties of disordered systems. We analyze how the method's accuracy varies with the number of moments used in the expansion and illustrate our approach by calculating the transverse conductivity of different topological systems. T.G.R, J.H.G and L.C. acknowledge Brazilian agencies CNPq, FAPERJ and INCT de Nanoestruturas de Carbono, Flemish Science Foundation for financial support.

  11. An Efficient Mesh for Wavefront Construction Methods and its Numerical Properties for Anisotropic Media

    NASA Astrophysics Data System (ADS)

    Lee, K.; Gibson, R. L.

    2002-12-01

    The wavefront construction method is an efficient way to model wave propagation in anisotropic media. This method is based on asymptotic ray theory, and it explicitly tracks the propagation of wavefronts through the earth model. The first step is to trace a fan of rays through the earth model, initializing the wavefront by constructing a mesh from the set of all ray points at a specified travel time. The wavefront is thus a mesh composed of quadrilateral cells defined by four neighboring rays. Rays are computed by kinematic ray tracing using Runge-Kutta methods. The basic geometry, or coordinate system, used to select the rays comprising the initial mesh has significant affects on the precision and performance of the numerical calculation. A common approach is to trace rays with regular increments in the azimuthal and declination takeoff angles. These two angles, along with travel time, define a ray coordinate system that is commonly used for implementations of conventional ray tracing for wavefront construction schemes. While the ray coordinate system is straightforward to implement and has been used extensively, it has some drawbacks (Gibson et al., 2002). The most important is that the derivatives of Cartesian coordinates on the ray with respect to the azimuthal takeoff angle vanish near the poles of the coordinate system, leading to potential numerical errors. Our implementation applies paraxial methods, and the poor estimates of derivatives can seriously degrade the performance of the algorithm. Also, specifying an initial ray field with even increments in takeoff angles leads to large concentrations of rays near the poles, which is numerically inefficient. To overcome these important limitations of the ray coordinate system, we apply a new mesh generation algorithm that utilizes a cubic gnomonic mesh. A cubic gnomonic mesh maps points chosen at regular intervals on the surface of a cube surrounding the source point to the focal sphere. In essence, the initial

  12. An efficient numerical method for evolving microstructures with strong elastic inhomogeneity

    NASA Astrophysics Data System (ADS)

    Jeong, Darae; Lee, Seunggyu; Kim, Junseok

    2015-06-01

    In this paper, we consider a fast and efficient numerical method for the modified Cahn-Hilliard equation with a logarithmic free energy for microstructure evolution. Even though it is physically more appropriate to use a logarithmic free energy, a quartic polynomial approximation is typically used for the logarithmic function due to a logarithmic singularity. In order to overcome the singularity problem, we regularize the logarithmic function and then apply an unconditionally stable scheme to the Cahn-Hilliard part in the model. We present computational results highlighting the different dynamic aspects from two different bulk free energy forms. We also demonstrate the robustness of the regularization of the logarithmic free energy, which implies the time-step restriction is based on accuracy and not stability.

  13. An Energy-Efficient Cluster-Based Vehicle Detection on Road Network Using Intention Numeration Method

    PubMed Central

    Devasenapathy, Deepa; Kannan, Kathiravan

    2015-01-01

    The traffic in the road network is progressively increasing at a greater extent. Good knowledge of network traffic can minimize congestions using information pertaining to road network obtained with the aid of communal callers, pavement detectors, and so on. Using these methods, low featured information is generated with respect to the user in the road network. Although the existing schemes obtain urban traffic information, they fail to calculate the energy drain rate of nodes and to locate equilibrium between the overhead and quality of the routing protocol that renders a great challenge. Thus, an energy-efficient cluster-based vehicle detection in road network using the intention numeration method (CVDRN-IN) is developed. Initially, sensor nodes that detect a vehicle are grouped into separate clusters. Further, we approximate the strength of the node drain rate for a cluster using polynomial regression function. In addition, the total node energy is estimated by taking the integral over the area. Finally, enhanced data aggregation is performed to reduce the amount of data transmission using digital signature tree. The experimental performance is evaluated with Dodgers loop sensor data set from UCI repository and the performance evaluation outperforms existing work on energy consumption, clustering efficiency, and node drain rate. PMID:25793221

  14. Estimation of the drift eliminator efficiency using numerical and experimental methods

    NASA Astrophysics Data System (ADS)

    Stodůlka, Jiří; Vitkovičová, Rut

    2016-03-01

    The purpose of the drift eliminators is to prevent water from escaping in significant amounts the cooling tower. They are designed to catch the droplets dragged by the tower draft and the efficiency given by the shape of the eliminator is the main evaluation criteria. The ability to eliminate the escaping water droplets is studied using CFD and using the experimental IPI method.

  15. Efficient numerical method for computation of thermohydrodynamics of laminar lubricating films

    NASA Technical Reports Server (NTRS)

    Elrod, Harold G.

    1989-01-01

    The purpose of this paper is to describe an accurate, yet economical, method for computing temperature effects in laminar lubricating films in two dimensions. The procedure presented here is a sequel to one presented in Leeds in 1986 that was carried out for the one-dimensional case. Because of the marked dependence of lubricant viscosity on temperature, the effect of viscosity variation both across and along a lubricating film can dwarf other deviations from ideal constant-property lubrication. In practice, a thermohydrodynamics program will involve simultaneous solution of the film lubrication problem, together with heat conduction in a solid, complex structure. The extent of computation required makes economy in numerical processing of utmost importance. In pursuit of such economy, we here use techniques similar to those for Gaussian quadrature. We show that, for many purposes, the use of just two properly positioned temperatures (Lobatto points) characterizes well the transverse temperature distribution.

  16. An efficient exponential time integration method for the numerical solution of the shallow water equations on the sphere

    NASA Astrophysics Data System (ADS)

    Gaudreault, Stéphane; Pudykiewicz, Janusz A.

    2016-10-01

    The exponential propagation methods were applied in the past for accurate integration of the shallow water equations on the sphere. Despite obvious advantages related to the exact solution of the linear part of the system, their use for the solution of practical problems in geophysics has been limited because efficiency of the traditional algorithm for evaluating the exponential of Jacobian matrix is inadequate. In order to circumvent this limitation, we modify the existing scheme by using the Incomplete Orthogonalization Method instead of the Arnoldi iteration. We also propose a simple strategy to determine the initial size of the Krylov space using information from previous time instants. This strategy is ideally suited for the integration of fluid equations where the structure of the system Jacobian does not change rapidly between the subsequent time steps. A series of standard numerical tests performed with the shallow water model on a geodesic icosahedral grid shows that the new scheme achieves efficiency comparable to the semi-implicit methods. This fact, combined with the accuracy and the mass conservation of the exponential propagation scheme, makes the presented method a good candidate for solving many practical problems, including numerical weather prediction.

  17. Advancing Efficient All-Electron Electronic Structure Methods Based on Numeric Atom-Centered Orbitals for Energy Related Materials

    NASA Astrophysics Data System (ADS)

    Blum, Volker

    This talk describes recent advances of a general, efficient, accurate all-electron electronic theory approach based on numeric atom-centered orbitals; emphasis is placed on developments related to materials for energy conversion and their discovery. For total energies and electron band structures, we show that the overall accuracy is on par with the best benchmark quality codes for materials, but scalable to large system sizes (1,000s of atoms) and amenable to both periodic and non-periodic simulations. A recent localized resolution-of-identity approach for the Coulomb operator enables O (N) hybrid functional based descriptions of the electronic structure of non-periodic and periodic systems, shown for supercell sizes up to 1,000 atoms; the same approach yields accurate results for many-body perturbation theory as well. For molecular systems, we also show how many-body perturbation theory for charged and neutral quasiparticle excitation energies can be efficiently yet accurately applied using basis sets of computationally manageable size. Finally, the talk highlights applications to the electronic structure of hybrid organic-inorganic perovskite materials, as well as to graphene-based substrates for possible future transition metal compound based electrocatalyst materials. All methods described here are part of the FHI-aims code. VB gratefully acknowledges contributions by numerous collaborators at Duke University, Fritz Haber Institute Berlin, TU Munich, USTC Hefei, Aalto University, and many others around the globe.

  18. Efficient numerical method for computation of the thermohydrodynamics of laminar lubricating films

    NASA Technical Reports Server (NTRS)

    Elrod, H. G.

    1991-01-01

    The purpose of this paper is to describe an accurate, yet economical, method for computing temperature effects in laminar lubricating films in two dimensions. Because of the marked dependence of lubricant viscosity on temperature, the effect of viscosity variation both across and along a lubricating film can dwarf other deviations from ideal constant-property lubrication. In practice, a thermohydrodynamics program will involve simultaneous solution of the film lubrication problem, together with heat conduction in a solid, complex structure. In pursuit of computational economy, techniques similar to those for Gaussian quadrature are used; it is shown that, for many purposes, the use of just two properly positioned temperatures (Lobatto points) characterizes the transverse temperature distribution.

  19. Third-order-accurate numerical methods for efficient, large time-step solutions of mixed linear and nonlinear problems

    SciTech Connect

    Cobb, J.W.

    1995-02-01

    There is an increasing need for more accurate numerical methods for large-scale nonlinear magneto-fluid turbulence calculations. These methods should not only increase the current state of the art in terms of accuracy, but should also continue to optimize other desired properties such as simplicity, minimized computation, minimized memory requirements, and robust stability. This includes the ability to stably solve stiff problems with long time-steps. This work discusses a general methodology for deriving higher-order numerical methods. It also discusses how the selection of various choices can affect the desired properties. The explicit discussion focuses on third-order Runge-Kutta methods, including general solutions and five examples. The study investigates the linear numerical analysis of these methods, including their accuracy, general stability, and stiff stability. Additional appendices discuss linear multistep methods, discuss directions for further work, and exhibit numerical analysis results for some other commonly used lower-order methods.

  20. An efficient numerical method for predicting the evolution of internal variables and springback in bending under tension at large strains

    NASA Astrophysics Data System (ADS)

    Alexandrov, Sergei; Jeng, Yeau-Ren

    2013-12-01

    Quite a general elastic/plastic material model including evolution equations for internal variables is adopted to predict the distribution of material properties and springback in plane strain bending under tension at large strains. A transformation equation to connect Lagrangian and Eulerian coordinates is used to reduce the original boundary value problem to a system of hyperbolic equations. This system is then solved by the method of characteristics combined with a finite difference scheme. In a particular case of elastic/plastic hardening materials (in this case the only internal variable is the equivalent plastic strain) an analytic solution is available in the literature. Using this solution it is demonstrated that the accuracy of the numerical method is very high.

  1. Numerical methods for molecular dynamics

    SciTech Connect

    Skeel, R.D.

    1991-01-01

    This report summarizes our research progress to date on the use of multigrid methods for three-dimensional elliptic partial differential equations, with particular emphasis on application to the Poisson-Boltzmann equation of molecular biophysics. This research is motivated by the need for fast and accurate numerical solution techniques for three-dimensional problems arising in physics and engineering. In many applications these problems must be solved repeatedly, and the extremely large number of discrete unknowns required to accurately approximate solutions to partial differential equations in three-dimensional regions necessitates the use of efficient solution methods. This situation makes clear the importance of developing methods which are of optimal order (or nearly so), meaning that the number of operations required to solve the discrete problem is on the order of the number of discrete unknowns. Multigrid methods are generally regarded as being in this class of methods, and are in fact provably optimal order for an increasingly large class of problems. The fundamental goal of this research is to develop a fast and accurate numerical technique, based on multi-level principles, for the solutions of the Poisson-Boltzmann equation of molecular biophysics and similar equations occurring in other applications. An outline of the report is as follows. We first present some background material, followed by a survey of the literature on the use of multigrid methods for solving problems similar to the Poisson-Boltzmann equation. A short description of the software we have developed so far is then given, and numerical results are discussed. Finally, our research plans for the coming year are presented.

  2. Efficient numerical evaluation of Feynman integrals

    NASA Astrophysics Data System (ADS)

    Li, Zhao; Wang, Jian; Yan, Qi-Shu; Zhao, Xiaoran

    2016-03-01

    Feynman loop integrals are a key ingredient for the calculation of higher order radiation effects, and are responsible for reliable and accurate theoretical prediction. We improve the efficiency of numerical integration in sector decomposition by implementing a quasi-Monte Carlo method associated with the CUDA/GPU technique. For demonstration we present the results of several Feynman integrals up to two loops in both Euclidean and physical kinematic regions in comparison with those obtained from FIESTA3. It is shown that both planar and non-planar two-loop master integrals in the physical kinematic region can be evaluated in less than half a minute with accuracy, which makes the direct numerical approach viable for precise investigation of higher order effects in multi-loop processes, e.g. the next-to-leading order QCD effect in Higgs pair production via gluon fusion with a finite top quark mass. Supported by the Natural Science Foundation of China (11305179 11475180), Youth Innovation Promotion Association, CAS, IHEP Innovation (Y4545170Y2), State Key Lab for Electronics and Particle Detectors, Open Project Program of State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, China (Y4KF061CJ1), Cluster of Excellence Precision Physics, Fundamental Interactions and Structure of Matter (PRISMA-EXC 1098)

  3. An Efficient Numerical Method for Computing Gravitational Waves Induced by a Particle Moving on Eccentric Inclined Orbits around a Kerr Black Hole

    NASA Astrophysics Data System (ADS)

    Fujita, R.; Hikida, W.; Tagoshi, H.

    2009-04-01

    We develop a numerical code to compute gravitational waves induced by a particle moving on eccentric inclined orbits around a Kerr black hole. For such systems, the black hole perturbation method is applicable. The gravitational waves can be evaluated by solving the Teukolsky equation with a point like source term, which is computed from the stress-energy tensor of a test particle moving on generic bound geodesic orbits. In our previous papers, we computed the homogeneous solutions of the Teukolsky equation using a formalism developed by Mano, Suzuki and Takasugi and showed that we could compute gravitational waves efficiently and very accurately in the case of circular orbits on the equatorial plane. Here, we apply this method to eccentric inclined orbits. The geodesics around a Kerr black hole have three constants of motion: energy, angular momentum and the Carter constant. We compute the rates of change of the Carter constant as well as those of energy and angular momen tum. This is the first time that the rate of change of the Carter constant has been evaluated accurately. We also treat the case of highly eccentric orbits with e = 0.9. To confirm the accuracy of our codes, several tests are performed. We find that the accuracy is only limited by the truncation of ℓ-, k- and n-modes, where ℓ is the index of the spin-weighted spheroidal harmonics, and n and k are the harmonics of the radial and polar motion, respectively. When we set the maximum of ℓ to 20, we obtain a relative accuracy of 10(-5) even in the highly eccentric case of e = 0.9. The accuracy is better for lower eccentricity. Our numerical code is expected to be useful for computing templates of the extreme mass ratio inspirals, which is one of the main targets of the Laser Interferometer Space Antenna (LISA).

  4. Numerical methods for multibody systems

    NASA Technical Reports Server (NTRS)

    Glowinski, Roland; Nasser, Mahmoud G.

    1994-01-01

    This article gives a brief summary of some results obtained by Nasser on modeling and simulation of inequality problems in multibody dynamics. In particular, the augmented Lagrangian method discussed here is applied to a constrained motion problem with impulsive inequality constraints. A fundamental characteristic of the multibody dynamics problem is the lack of global convexity of its Lagrangian. The problem is transformed into a convex analysis problem by localization (piecewise linearization), where the augmented Lagrangian has been successfully used. A model test problem is considered and a set of numerical experiments is presented.

  5. Time-efficient numerical simulation of diatomic molecular spectra

    NASA Astrophysics Data System (ADS)

    Beuc, Robert; Movre, Mladen; Horvatić, Berislav

    2014-03-01

    We present a quantum-mechanical procedure for calculating the photoabsorption spectra of diatomic molecules, entirely based on the Fourier grid Hamiltonian method for obtaining energies and the corresponding wave functions. Discrete and continuous spectrum contributions, which are the result of transitions between bound, free, and quasibound states of diatomic molecules were treated on the same footing. Using the classical Franck-Condon principle and the stationary-phase approximation, we also developed a "semiquantum" simulation method of the spectrum which allows an extremely time-efficient numerical algorithm, reducing the computer time by up to four orders of magnitude. The proposed method was tested on the absorption spectra of potassium molecules.

  6. Numerical methods for molecular dynamics. Progress report

    SciTech Connect

    Skeel, R.D.

    1991-12-31

    This report summarizes our research progress to date on the use of multigrid methods for three-dimensional elliptic partial differential equations, with particular emphasis on application to the Poisson-Boltzmann equation of molecular biophysics. This research is motivated by the need for fast and accurate numerical solution techniques for three-dimensional problems arising in physics and engineering. In many applications these problems must be solved repeatedly, and the extremely large number of discrete unknowns required to accurately approximate solutions to partial differential equations in three-dimensional regions necessitates the use of efficient solution methods. This situation makes clear the importance of developing methods which are of optimal order (or nearly so), meaning that the number of operations required to solve the discrete problem is on the order of the number of discrete unknowns. Multigrid methods are generally regarded as being in this class of methods, and are in fact provably optimal order for an increasingly large class of problems. The fundamental goal of this research is to develop a fast and accurate numerical technique, based on multi-level principles, for the solutions of the Poisson-Boltzmann equation of molecular biophysics and similar equations occurring in other applications. An outline of the report is as follows. We first present some background material, followed by a survey of the literature on the use of multigrid methods for solving problems similar to the Poisson-Boltzmann equation. A short description of the software we have developed so far is then given, and numerical results are discussed. Finally, our research plans for the coming year are presented.

  7. Direct numerical simulations of collision efficiency of cohesive sediments

    NASA Astrophysics Data System (ADS)

    Zhang, Jin-Feng; Maa, Jerome P.-Y.; Zhang, Qing-He; Shen, Xiao-Teng

    2016-09-01

    A clear understanding of the collision efficiency of cohesive sediment particles is critical for more accurate simulation of the flocculation processes. It is difficult, if not impossible, to carry out laboratory experiments to determine the collision efficiency for small particles. Direct Numerical Simulation (DNS) is a relatively feasible approach to describe the motion of spherical particles under gravity in calm water, and thus, to study the collision efficiency of these particles. In this study, the Lattice Boltzmann (LB) method is used to calculate the relative trajectories of two approaching particles with different ratios of sizes and densities. Results show that the inter-molecular forces (i.e., van der Waals attractive force, electrostatic repulsive/attractive force, and displacement force), which are usually neglected in previous studies, would affect the trajectories, and thus, lead to an overestimation of the collision efficiency. It is found that to increase the particle size ratio from 0.1 to 0.8 only slightly increases the collision efficiency, since the force caused by fluid-solid interaction between these two particles is reduced. To increase the submerged particle density ratio from 1 to 22, however, would significantly decrease the collision efficiency. Earlier analytical formulations of collision efficiency, which only consider the effects of particle size ratio, have significantly overestimated the collision efficiency (change from 0.01 to 0.6) when the particle size ratio is around 0.5.

  8. Numerical methods for problems in computational aeroacoustics

    NASA Astrophysics Data System (ADS)

    Mead, Jodi Lorraine

    1998-12-01

    A goal of computational aeroacoustics is the accurate calculation of noise from a jet in the far field. This work concerns the numerical aspects of accurately calculating acoustic waves over large distances and long time. More specifically, the stability, efficiency, accuracy, dispersion and dissipation in spatial discretizations, time stepping schemes, and absorbing boundaries for the direct solution of wave propagation problems are determined. Efficient finite difference methods developed by Tam and Webb, which minimize dispersion and dissipation, are commonly used for the spatial and temporal discretization. Alternatively, high order pseudospectral methods can be made more efficient by using the grid transformation introduced by Kosloff and Tal-Ezer. Work in this dissertation confirms that the grid transformation introduced by Kosloff and Tal-Ezer is not spectrally accurate because, in the limit, the grid transformation forces zero derivatives at the boundaries. If a small number of grid points are used, it is shown that approximations with the Chebyshev pseudospectral method with the Kosloff and Tal-Ezer grid transformation are as accurate as with the Chebyshev pseudospectral method. This result is based on the analysis of the phase and amplitude errors of these methods, and their use for the solution of a benchmark problem in computational aeroacoustics. For the grid transformed Chebyshev method with a small number of grid points it is, however, more appropriate to compare its accuracy with that of high- order finite difference methods. This comparison, for an order of accuracy 10-3 for a benchmark problem in computational aeroacoustics, is performed for the grid transformed Chebyshev method and the fourth order finite difference method of Tam. Solutions with the finite difference method are as accurate. and the finite difference method is more efficient than, the Chebyshev pseudospectral method with the grid transformation. The efficiency of the Chebyshev

  9. Efficient numerical methods for the random-field Ising model: Finite-size scaling, reweighting extrapolation, and computation of response functions.

    PubMed

    Fytas, Nikolaos G; Martín-Mayor, Víctor

    2016-06-01

    It was recently shown [Phys. Rev. Lett. 110, 227201 (2013)PRLTAO0031-900710.1103/PhysRevLett.110.227201] that the critical behavior of the random-field Ising model in three dimensions is ruled by a single universality class. This conclusion was reached only after a proper taming of the large scaling corrections of the model by applying a combined approach of various techniques, coming from the zero- and positive-temperature toolboxes of statistical physics. In the present contribution we provide a detailed description of this combined scheme, explaining in detail the zero-temperature numerical scheme and developing the generalized fluctuation-dissipation formula that allowed us to compute connected and disconnected correlation functions of the model. We discuss the error evolution of our method and we illustrate the infinite limit-size extrapolation of several observables within phenomenological renormalization. We present an extension of the quotients method that allows us to obtain estimates of the critical exponent α of the specific heat of the model via the scaling of the bond energy and we discuss the self-averaging properties of the system and the algorithmic aspects of the maximum-flow algorithm used. PMID:27415388

  10. Efficient numerical methods for the random-field Ising model: Finite-size scaling, reweighting extrapolation, and computation of response functions

    NASA Astrophysics Data System (ADS)

    Fytas, Nikolaos G.; Martín-Mayor, Víctor

    2016-06-01

    It was recently shown [Phys. Rev. Lett. 110, 227201 (2013), 10.1103/PhysRevLett.110.227201] that the critical behavior of the random-field Ising model in three dimensions is ruled by a single universality class. This conclusion was reached only after a proper taming of the large scaling corrections of the model by applying a combined approach of various techniques, coming from the zero- and positive-temperature toolboxes of statistical physics. In the present contribution we provide a detailed description of this combined scheme, explaining in detail the zero-temperature numerical scheme and developing the generalized fluctuation-dissipation formula that allowed us to compute connected and disconnected correlation functions of the model. We discuss the error evolution of our method and we illustrate the infinite limit-size extrapolation of several observables within phenomenological renormalization. We present an extension of the quotients method that allows us to obtain estimates of the critical exponent α of the specific heat of the model via the scaling of the bond energy and we discuss the self-averaging properties of the system and the algorithmic aspects of the maximum-flow algorithm used.

  11. Numerical methods for engine-airframe integration

    SciTech Connect

    Murthy, S.N.B.; Paynter, G.C.

    1986-01-01

    Various papers on numerical methods for engine-airframe integration are presented. The individual topics considered include: scientific computing environment for the 1980s, overview of prediction of complex turbulent flows, numerical solutions of the compressible Navier-Stokes equations, elements of computational engine/airframe integrations, computational requirements for efficient engine installation, application of CAE and CFD techniques to complete tactical missile design, CFD applications to engine/airframe integration, and application of a second-generation low-order panel methods to powerplant installation studies. Also addressed are: three-dimensional flow analysis of turboprop inlet and nacelle configurations, application of computational methods to the design of large turbofan engine nacelles, comparison of full potential and Euler solution algorithms for aeropropulsive flow field computations, subsonic/transonic, supersonic nozzle flows and nozzle integration, subsonic/transonic prediction capabilities for nozzle/afterbody configurations, three-dimensional viscous design methodology of supersonic inlet systems for advanced technology aircraft, and a user's technology assessment.

  12. Numerical processing efficiency improved in experienced mental abacus children.

    PubMed

    Wang, Yunqi; Geng, Fengji; Hu, Yuzheng; Du, Fenglei; Chen, Feiyan

    2013-05-01

    Experienced mental abacus (MA) users are able to perform mental arithmetic calculations with unusual speed and accuracy. However, it remains unclear whether their extraordinary gains in mental arithmetic ability are accompanied by an improvement in numerical processing efficiency. To address this question, the present study, using a numerical Stroop paradigm, examined the numerical processing efficiency of experienced MA children, MA beginners and their respective peers. The results showed that experienced MA children were less influenced than their peers by physical size information when intentionally processing numerical magnitude information, but they were more influenced than their peers by numerical magnitude information when intentionally processing physical size information. By contrast, MA beginners and peers showed no differences in the reciprocal influences between the two conflicting dimensions. These findings indicate that substantial gains in numerical processing efficiency could be achieved through long-term intensive MA training. Implications for numerical magnitude representations and for training students with mathematical learning disabilities are discussed.

  13. Flow Structures and Efficiency of Swimming Fish school: Numerical Study

    NASA Astrophysics Data System (ADS)

    Yatagai, Yuzuru; Hattori, Yuji

    2013-11-01

    The flow structure and energy-saving mechanism in fish school is numerically investigated by using the volume penalization method. We calculate the various patterns of configuration of fishes and investigate the relation between spatial arrangement and the performance of fish. It is found that the down-stream fish gains a hydrodynamic advantage from the upstream wake shed by the upstream fish. The most efficient configuration is that the downstream fish is placed in the wake. It reduces the drag force of the downstream fish in comparison with that in solo swimming.

  14. Interleaved numerical renormalization group as an efficient multiband impurity solver

    NASA Astrophysics Data System (ADS)

    Stadler, K. M.; Mitchell, A. K.; von Delft, J.; Weichselbaum, A.

    2016-06-01

    Quantum impurity problems can be solved using the numerical renormalization group (NRG), which involves discretizing the free conduction electron system and mapping to a "Wilson chain." It was shown recently that Wilson chains for different electronic species can be interleaved by use of a modified discretization, dramatically increasing the numerical efficiency of the RG scheme [Phys. Rev. B 89, 121105(R) (2014), 10.1103/PhysRevB.89.121105]. Here we systematically examine the accuracy and efficiency of the "interleaved" NRG (iNRG) method in the context of the single impurity Anderson model, the two-channel Kondo model, and a three-channel Anderson-Hund model. The performance of iNRG is explicitly compared with "standard" NRG (sNRG): when the average number of states kept per iteration is the same in both calculations, the accuracy of iNRG is equivalent to that of sNRG but the computational costs are significantly lower in iNRG when the same symmetries are exploited. Although iNRG weakly breaks SU(N ) channel symmetry (if present), both accuracy and numerical cost are entirely competitive with sNRG exploiting full symmetries. iNRG is therefore shown to be a viable and technically simple alternative to sNRG for high-symmetry models. Moreover, iNRG can be used to solve a range of lower-symmetry multiband problems that are inaccessible to sNRG.

  15. A stable and efficient numerical algorithm for unconfined aquifer analysis

    SciTech Connect

    Keating, Elizabeth; Zyvoloski, George

    2008-01-01

    The non-linearity of equations governing flow in unconfined aquifers poses challenges for numerical models, particularly in field-scale applications. Existing methods are often unstable, do not converge, or require extremely fine grids and small time steps. Standard modeling procedures such as automated model calibration and Monte Carlo uncertainty analysis typically require thousands of forward model runs. Stable and efficient model performance is essential to these analyses. We propose a new method that offers improvements in stability and efficiency, and is relatively tolerant of coarse grids. It applies a strategy similar to that in the MODFLOW code to solution of Richard's Equation with a grid-dependent pressure/saturation relationship. The method imposes a contrast between horizontal and vertical permeability in gridblocks containing the water table. We establish the accuracy of the method by comparison to an analytical solution for radial flow to a well in an unconfined aquifer with delayed yield. Using a suite of test problems, we demonstrate the efficiencies gained in speed and accuracy over two-phase simulations, and improved stability when compared to MODFLOW. The advantages for applications to transient unconfined aquifer analysis are clearly demonstrated by our examples. We also demonstrate applicability to mixed vadose zone/saturated zone applications, including transport, and find that the method shows great promise for these types of problem, as well.

  16. An Efficient Numerical Approach for Nonlinear Fokker-Planck equations

    NASA Astrophysics Data System (ADS)

    Otten, Dustin; Vedula, Prakash

    2009-03-01

    Fokker-Planck equations which are nonlinear with respect to their probability densities that occur in many nonequilibrium systems relevant to mean field interaction models, plasmas, classical fermions and bosons can be challenging to solve numerically. To address some underlying challenges in obtaining numerical solutions, we propose a quadrature based moment method for efficient and accurate determination of transient (and stationary) solutions of nonlinear Fokker-Planck equations. In this approach the distribution function is represented as a collection of Dirac delta functions with corresponding quadrature weights and locations, that are in turn determined from constraints based on evolution of generalized moments. Properties of the distribution function can be obtained by solution of transport equations for quadrature weights and locations. We will apply this computational approach to study a wide range of problems, including the Desai-Zwanzig Model (for nonlinear muscular contraction) and multivariate nonlinear Fokker-Planck equations describing classical fermions and bosons, and will also demonstrate good agreement with results obtained from Monte Carlo and other standard numerical methods.

  17. Simple and Efficient Numerical Evaluation of Near-Hypersingular Integrals

    NASA Technical Reports Server (NTRS)

    Fink, Patrick W.; Wilton, Donald R.; Khayat, Michael A.

    2007-01-01

    Recently, significant progress has been made in the handling of singular and nearly-singular potential integrals that commonly arise in the Boundary Element Method (BEM). To facilitate object-oriented programming and handling of higher order basis functions, cancellation techniques are favored over techniques involving singularity subtraction. However, gradients of the Newton-type potentials, which produce hypersingular kernels, are also frequently required in BEM formulations. As is the case with the potentials, treatment of the near-hypersingular integrals has proven more challenging than treating the limiting case in which the observation point approaches the surface. Historically, numerical evaluation of these near-hypersingularities has often involved a two-step procedure: a singularity subtraction to reduce the order of the singularity, followed by a boundary contour integral evaluation of the extracted part. Since this evaluation necessarily links basis function, Green s function, and the integration domain (element shape), the approach ill fits object-oriented programming concepts. Thus, there is a need for cancellation-type techniques for efficient numerical evaluation of the gradient of the potential. Progress in the development of efficient cancellation-type procedures for the gradient potentials was recently presented. To the extent possible, a change of variables is chosen such that the Jacobian of the transformation cancels the singularity. However, since the gradient kernel involves singularities of different orders, we also require that the transformation leaves remaining terms that are analytic. The terms "normal" and "tangential" are used herein with reference to the source element. Also, since computational formulations often involve the numerical evaluation of both potentials and their gradients, it is highly desirable that a single integration procedure efficiently handles both.

  18. High efficiency telemetry method

    NASA Technical Reports Server (NTRS)

    Lim, L. Y.

    1971-01-01

    Analog and digital mechanizations contain new combinations of known circuits that generate coefficients of Fourier series terms in accordance with harmonic content of waveform to be transmitted. Technique represents information signal more accurately that previous methods and requires fewer information bits.

  19. Numerical Methods for Radiation Magnetohydrodynamics in Astrophysics

    SciTech Connect

    Klein, R I; Stone, J M

    2007-11-20

    We describe numerical methods for solving the equations of radiation magnetohydrodynamics (MHD) for astrophysical fluid flow. Such methods are essential for the investigation of the time-dependent and multidimensional dynamics of a variety of astrophysical systems, although our particular interest is motivated by problems in star formation. Over the past few years, the authors have been members of two parallel code development efforts, and this review reflects that organization. In particular, we discuss numerical methods for MHD as implemented in the Athena code, and numerical methods for radiation hydrodynamics as implemented in the Orion code. We discuss the challenges introduced by the use of adaptive mesh refinement in both codes, as well as the most promising directions for future developments.

  20. a Numerical Method for Turbulent Combustion Problems

    NASA Astrophysics Data System (ADS)

    Song, Yu.

    This dissertation presents a random numerical method which combines a random vortex method and a random choice method. With the assumption of incompressibility, the equations governing the fluid motion can be uncoupled from the equations governing the chemical reaction. A hybrid random vortex method is used for solving Navier -Stokes equation which governs the fluid motion. Combustion process is governed by reaction-diffusion system for the conservation of energy and the various chemical species participating in reaction. A random choice method is used for the modeling reaction-diffusion equations. The random choice method is tested and the numerical solutions are compared with the results by either the other numerical methods or exact solutions, good improvement and agreement have been obtained. For physical problem in two or more space dimensions, extension of the random choice method requires splitting the source terms into an x-sweep followed by a y-sweep. The splitting of the source term is also examined for an equation with an exact solution. The combustion model is applied to the problem of combustion in a circular cylinder with cylinder heated or kept cold. The flame profiles are obtained and effect of the turbulent is observed. The method is also applied to the ignition of a Bunsen burner. The correct modeling of mixing layer at the edge of the burner is found important in this application. Flame propagation profiles are obtained and have good agreement with experiments.

  1. New Methods of Energy Efficient Radon Mitigation

    SciTech Connect

    Fisk, W.J.; Prill, R.J.; Wooley, J.; Bonnefous, Y.C.; Gadgil, A.J.; Riley, W.J.

    1994-05-01

    Two new radon mitigation techniques are introduced and their evaluation in a field study complemented by numerical model predictions is described. Based on numerical predictions, installation of a sub gravel membrane at the study site resulted in a factor of two reduction in indoor radon concentrations. Experimental data indicated that installation of 'short-circuit' pipes extending between the subslab gravel and outdoors, caused an additional factor of two decrease in the radon concentration. Consequently, the combination of these two passive radon mitigation features, called the membrane and short-circuit (MASC) technique, was associated with a factor of four reduction in indoor radon concentration. The energy-efficient active radon mitigation method, called efficient active subslab pressurization (EASP), required only 20% of the fan energy of conventional active subslab depressurization and reduced the indoor radon concentration by approximately a factor of 15, including the numerically-predicted impact of the sub-gravel membrane.

  2. New methods of energy efficient radon mitigation

    SciTech Connect

    Fisk, W.J.; Wooley, J.; Gadgil, A.J.

    1995-05-01

    Two new radon mitigation techniques are introduced and their evaluation in a field study complemented by numerical model predictions is described. Based on numerical predictions, installation of a sub gravel membrane at the study site resulted in a factor of 2 reduction in indoor radon concentrations. Experimental data indicated that installation of {open_quotes}short-circuit{close_quotes} pipes extending between the subslab gravel and outdoors caused an additional factor of 2 decrease in the radon concentration. Consequently, the combination of these two passive radon mitigation features, called the membrane and short-circuit (MASC) technique, was associated with a factor of 4 reduction in indoor radon concentration. The energy-efficient active radon mitigation method, called efficient active subslab pressurization (EASP), required only 20% of the fan energy of conventional active subslab depressurization and reduced the indoor radon concentration by approximately a factor of 15, including the numerically-predicted impact of the sub-gravel membrane.

  3. A numerical method of detecting singularity

    NASA Technical Reports Server (NTRS)

    Laporte, M.; Vignes, J.

    1978-01-01

    A numerical method is reported which determines a value C for the degree of conditioning of a matrix. This value is C = 0 for a singular matrix and has progressively larger values for matrices which are increasingly well-conditioned. This value is C sub = C max sub max (C defined by the precision of the computer) when the matrix is perfectly well conditioned.

  4. Numerical Processing Efficiency Improved in Experienced Mental Abacus Children

    ERIC Educational Resources Information Center

    Wang, Yunqi; Geng, Fengji; Hu, Yuzheng; Du, Fenglei; Chen, Feiyan

    2013-01-01

    Experienced mental abacus (MA) users are able to perform mental arithmetic calculations with unusual speed and accuracy. However, it remains unclear whether their extraordinary gains in mental arithmetic ability are accompanied by an improvement in numerical processing efficiency. To address this question, the present study, using a numerical…

  5. Numerical Algorithms for Precise and Efficient Orbit Propagation and Positioning

    NASA Astrophysics Data System (ADS)

    Bradley, Ben K.

    Motivated by the growing space catalog and the demands for precise orbit determination with shorter latency for science and reconnaissance missions, this research improves the computational performance of orbit propagation through more efficient and precise numerical integration and frame transformation implementations. Propagation of satellite orbits is required for astrodynamics applications including mission design, orbit determination in support of operations and payload data analysis, and conjunction assessment. Each of these applications has somewhat different requirements in terms of accuracy, precision, latency, and computational load. This dissertation develops procedures to achieve various levels of accuracy while minimizing computational cost for diverse orbit determination applications. This is done by addressing two aspects of orbit determination: (1) numerical integration used for orbit propagation and (2) precise frame transformations necessary for force model evaluation and station coordinate rotations. This dissertation describes a recently developed method for numerical integration, dubbed Bandlimited Collocation Implicit Runge-Kutta (BLC-IRK), and compare its efficiency in propagating orbits to existing techniques commonly used in astrodynamics. The BLC-IRK scheme uses generalized Gaussian quadratures for bandlimited functions. It requires significantly fewer force function evaluations than explicit Runge-Kutta schemes and approaches the efficiency of the 8th-order Gauss-Jackson multistep method. Converting between the Geocentric Celestial Reference System (GCRS) and International Terrestrial Reference System (ITRS) is necessary for many applications in astrodynamics, such as orbit propagation, orbit determination, and analyzing geoscience data from satellite missions. This dissertation provides simplifications to the Celestial Intermediate Origin (CIO) transformation scheme and Earth orientation parameter (EOP) storage for use in positioning and

  6. Analytical and numerical methods; advanced computer concepts

    SciTech Connect

    Lax, P D

    1991-03-01

    This past year, two projects have been completed and a new is under way. First, in joint work with R. Kohn, we developed a numerical algorithm to study the blowup of solutions to equations with certain similarity transformations. In the second project, the adaptive mesh refinement code of Berger and Colella for shock hydrodynamic calculations has been parallelized and numerical studies using two different shared memory machines have been done. My current effort is towards the development of Cartesian mesh methods to solve pdes with complicated geometries. Most of the coming year will be spent on this project, which is joint work with Prof. Randy Leveque at the University of Washington in Seattle.

  7. Numerical Methods in Polarized Line Formation Theory

    NASA Astrophysics Data System (ADS)

    Nagendra, K. N.; Sampoorna, M.

    2009-06-01

    We review some numerical methods and provide benchmark solutions for the polarized line formation theory with partial redistribution (PRD) in the presence of magnetic fields. The transfer equation remains non-axisymmetric when written in the `Stokes vector basis'. It is relatively easier to develop numerical methods to solve the transfer equation for axisymmetric radiation fields. Therefore for non-axisymmetric problems it would be necessary to expand the azimuthal dependence of the scattering redistribution matrices in a Fourier series. The transfer equation in this so called `reduced form' becomes axisymmetric in the Fourier domain in which it is solved, and the reduced intensity is then transformed into the Stokes vector basis in real space. The advantage is that the reduced problem lends itself to be solved by appropriately organized PALI (Polarized Approximate Lambda Iteration) methods. We first dwell upon a frequency by frequency method (PALI7) that uses non-domain based PRD for the Hanle scattering problem, and then compare it with a core-wing method (PALI6) that uses a domain based PRD. The PALI methods use operator perturbation and involve construction of a suitable procedure to evaluate an `iterated source vector correction'. Another important component of PALI methods is the `Formal Solver' (for example Feautrier, short characteristic, DELOPAR etc.). The PALI methods are extremely fast on a computer and require very small memory. Finally, we present a simple perturbation method to solve the Hanle-Zeeman line formation problem in arbitrary strength magnetic fields.

  8. Numerical methods: Analytical benchmarking in transport theory

    SciTech Connect

    Ganapol, B.D. )

    1988-01-01

    Numerical methods applied to reactor technology have reached a high degree of maturity. Certainly one- and two-dimensional neutron transport calculations have become routine, with several programs available on personal computer and the most widely used programs adapted to workstation and minicomputer computational environments. With the introduction of massive parallelism and as experience with multitasking increases, even more improvement in the development of transport algorithms can be expected. Benchmarking an algorithm is usually not a very pleasant experience for the code developer. Proper algorithmic verification by benchmarking involves the following considerations: (1) conservation of particles, (2) confirmation of intuitive physical behavior, and (3) reproduction of analytical benchmark results. By using today's computational advantages, new basic numerical methods have been developed that allow a wider class of benchmark problems to be considered.

  9. Hyperbolic conservation laws and numerical methods

    NASA Technical Reports Server (NTRS)

    Leveque, Randall J.

    1990-01-01

    The mathematical structure of hyperbolic systems and the scalar equation case of conservation laws are discussed. Linear, nonlinear systems and the Riemann problem for the Euler equations are also studied. The numerical methods for conservation laws are presented in a nonstandard manner which leads to large time steps generalizations and computations on irregular grids. The solution of conservation laws with stiff source terms is examined.

  10. RELAP-7 Numerical Stabilization: Entropy Viscosity Method

    SciTech Connect

    R. A. Berry; M. O. Delchini; J. Ragusa

    2014-06-01

    The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). The code is based on the INL's modern scientific software development framework, MOOSE (Multi-Physics Object Oriented Simulation Environment). The overall design goal of RELAP-7 is to take advantage of the previous thirty years of advancements in computer architecture, software design, numerical integration methods, and physical models. The end result will be a reactor systems analysis capability that retains and improves upon RELAP5's capability and extends the analysis capability for all reactor system simulation scenarios. RELAP-7 utilizes a single phase and a novel seven-equation two-phase flow models as described in the RELAP-7 Theory Manual (INL/EXT-14-31366). The basic equation systems are hyperbolic, which generally require some type of stabilization (or artificial viscosity) to capture nonlinear discontinuities and to suppress advection-caused oscillations. This report documents one of the available options for this stabilization in RELAP-7 -- a new and novel approach known as the entropy viscosity method. Because the code is an ongoing development effort in which the physical sub models, numerics, and coding are evolving, so too must the specific details of the entropy viscosity stabilization method. Here the fundamentals of the method in their current state are presented.

  11. Simple numerical method for predicting steady compressible flows

    NASA Technical Reports Server (NTRS)

    Vonlavante, Ernst; Nelson, N. Duane

    1986-01-01

    A numerical method for solving the isenthalpic form of the governing equations for compressible viscous and inviscid flows was developed. The method was based on the concept of flux vector splitting in its implicit form. The method was tested on several demanding inviscid and viscous configurations. Two different forms of the implicit operator were investigated. The time marching to steady state was accelerated by the implementation of the multigrid procedure. Its various forms very effectively increased the rate of convergence of the present scheme. High quality steady state results were obtained in most of the test cases; these required only short computational times due to the relative efficiency of the basic method.

  12. Numerical analysis method for linear induction machines.

    NASA Technical Reports Server (NTRS)

    Elliott, D. G.

    1972-01-01

    A numerical analysis method has been developed for linear induction machines such as liquid metal MHD pumps and generators and linear motors. Arbitrary phase currents or voltages can be specified and the moving conductor can have arbitrary velocity and conductivity variations from point to point. The moving conductor is divided into a mesh and coefficients are calculated for the voltage induced at each mesh point by unit current at every other mesh point. Combining the coefficients with the mesh resistances yields a set of simultaneous equations which are solved for the unknown currents.

  13. Numerical methods for finding stationary gravitational solutions

    NASA Astrophysics Data System (ADS)

    Dias, Óscar J. C.; Santos, Jorge E.; Way, Benson

    2016-07-01

    The wide applications of higher dimensional gravity and gauge/gravity duality have fuelled the search for new stationary solutions of the Einstein equation (possibly coupled to matter). In this topical review, we explain the mathematical foundations and give a practical guide for the numerical solution of gravitational boundary value problems. We present these methods by way of example: resolving asymptotically flat black rings, singly spinning lumpy black holes in anti-de Sitter (AdS), and the Gregory-Laflamme zero modes of small rotating black holes in AdS{}5× {S}5. We also include several tools and tricks that have been useful throughout the literature.

  14. Random element method for numerical modeling of diffusional processes

    NASA Technical Reports Server (NTRS)

    Ghoniem, A. F.; Oppenheim, A. K.

    1982-01-01

    The random element method is a generalization of the random vortex method that was developed for the numerical modeling of momentum transport processes as expressed in terms of the Navier-Stokes equations. The method is based on the concept that random walk, as exemplified by Brownian motion, is the stochastic manifestation of diffusional processes. The algorithm based on this method is grid-free and does not require the diffusion equation to be discritized over a mesh, it is thus devoid of numerical diffusion associated with finite difference methods. Moreover, the algorithm is self-adaptive in space and explicit in time, resulting in an improved numerical resolution of gradients as well as a simple and efficient computational procedure. The method is applied here to an assortment of problems of diffusion of momentum and energy in one-dimension as well as heat conduction in two-dimensions in order to assess its validity and accuracy. The numerical solutions obtained are found to be in good agreement with exact solution except for a statistical error introduced by using a finite number of elements, the error can be reduced by increasing the number of elements or by using ensemble averaging over a number of solutions.

  15. Numerical solution methods for viscoelastic orthotropic materials

    NASA Technical Reports Server (NTRS)

    Gramoll, K. C.; Dillard, D. A.; Brinson, H. F.

    1988-01-01

    Numerical solution methods for viscoelastic orthotropic materials, specifically fiber reinforced composite materials, are examined. The methods include classical lamination theory using time increments, direction solution of the Volterra Integral, Zienkiewicz's linear Prony series method, and a new method called Nonlinear Differential Equation Method (NDEM) which uses a nonlinear Prony series. The criteria used for comparison of the various methods include the stability of the solution technique, time step size stability, computer solution time length, and computer memory storage. The Volterra Integral allowed the implementation of higher order solution techniques but had difficulties solving singular and weakly singular compliance function. The Zienkiewicz solution technique, which requires the viscoelastic response to be modeled by a Prony series, works well for linear viscoelastic isotropic materials and small time steps. The new method, NDEM, uses a modified Prony series which allows nonlinear stress effects to be included and can be used with orthotropic nonlinear viscoelastic materials. The NDEM technique is shown to be accurate and stable for both linear and nonlinear conditions with minimal computer time.

  16. Numerical processing efficiency improved in children using mental abacus: ERP evidence utilizing a numerical Stroop task

    PubMed Central

    Yao, Yuan; Du, Fenglei; Wang, Chunjie; Liu, Yuqiu; Weng, Jian; Chen, Feiyan

    2015-01-01

    This study examined whether long-term abacus-based mental calculation (AMC) training improved numerical processing efficiency and at what stage of information processing the effect appeard. Thirty-three children participated in the study and were randomly assigned to two groups at primary school entry, matched for age, gender and IQ. All children went through the same curriculum except that the abacus group received a 2-h/per week AMC training, while the control group did traditional numerical practice for a similar amount of time. After a 2-year training, they were tested with a numerical Stroop task. Electroencephalographic (EEG) and event related potential (ERP) recording techniques were used to monitor the temporal dynamics during the task. Children were required to determine the numerical magnitude (NC) (NC task) or the physical size (PC task) of two numbers presented simultaneously. In the NC task, the AMC group showed faster response times but similar accuracy compared to the control group. In the PC task, the two groups exhibited the same speed and accuracy. The saliency of numerical information relative to physical information was greater in AMC group. With regards to ERP results, the AMC group displayed congruity effects both in the earlier (N1) and later (N2 and LPC (late positive component) time domain, while the control group only displayed congruity effects for LPC. In the left parietal region, LPC amplitudes were larger for the AMC than the control group. Individual differences for LPC amplitudes over left parietal area showed a positive correlation with RTs in the NC task in both congruent and neutral conditions. After controlling for the N2 amplitude, this correlation also became significant in the incongruent condition. Our results suggest that AMC training can strengthen the relationship between symbolic representation and numerical magnitude so that numerical information processing becomes quicker and automatic in AMC children. PMID:26042012

  17. Numerical processing efficiency improved in children using mental abacus: ERP evidence utilizing a numerical Stroop task.

    PubMed

    Yao, Yuan; Du, Fenglei; Wang, Chunjie; Liu, Yuqiu; Weng, Jian; Chen, Feiyan

    2015-01-01

    This study examined whether long-term abacus-based mental calculation (AMC) training improved numerical processing efficiency and at what stage of information processing the effect appeard. Thirty-three children participated in the study and were randomly assigned to two groups at primary school entry, matched for age, gender and IQ. All children went through the same curriculum except that the abacus group received a 2-h/per week AMC training, while the control group did traditional numerical practice for a similar amount of time. After a 2-year training, they were tested with a numerical Stroop task. Electroencephalographic (EEG) and event related potential (ERP) recording techniques were used to monitor the temporal dynamics during the task. Children were required to determine the numerical magnitude (NC) (NC task) or the physical size (PC task) of two numbers presented simultaneously. In the NC task, the AMC group showed faster response times but similar accuracy compared to the control group. In the PC task, the two groups exhibited the same speed and accuracy. The saliency of numerical information relative to physical information was greater in AMC group. With regards to ERP results, the AMC group displayed congruity effects both in the earlier (N1) and later (N2 and LPC (late positive component) time domain, while the control group only displayed congruity effects for LPC. In the left parietal region, LPC amplitudes were larger for the AMC than the control group. Individual differences for LPC amplitudes over left parietal area showed a positive correlation with RTs in the NC task in both congruent and neutral conditions. After controlling for the N2 amplitude, this correlation also became significant in the incongruent condition. Our results suggest that AMC training can strengthen the relationship between symbolic representation and numerical magnitude so that numerical information processing becomes quicker and automatic in AMC children. PMID:26042012

  18. Numerical processing efficiency improved in children using mental abacus: ERP evidence utilizing a numerical Stroop task.

    PubMed

    Yao, Yuan; Du, Fenglei; Wang, Chunjie; Liu, Yuqiu; Weng, Jian; Chen, Feiyan

    2015-01-01

    This study examined whether long-term abacus-based mental calculation (AMC) training improved numerical processing efficiency and at what stage of information processing the effect appeard. Thirty-three children participated in the study and were randomly assigned to two groups at primary school entry, matched for age, gender and IQ. All children went through the same curriculum except that the abacus group received a 2-h/per week AMC training, while the control group did traditional numerical practice for a similar amount of time. After a 2-year training, they were tested with a numerical Stroop task. Electroencephalographic (EEG) and event related potential (ERP) recording techniques were used to monitor the temporal dynamics during the task. Children were required to determine the numerical magnitude (NC) (NC task) or the physical size (PC task) of two numbers presented simultaneously. In the NC task, the AMC group showed faster response times but similar accuracy compared to the control group. In the PC task, the two groups exhibited the same speed and accuracy. The saliency of numerical information relative to physical information was greater in AMC group. With regards to ERP results, the AMC group displayed congruity effects both in the earlier (N1) and later (N2 and LPC (late positive component) time domain, while the control group only displayed congruity effects for LPC. In the left parietal region, LPC amplitudes were larger for the AMC than the control group. Individual differences for LPC amplitudes over left parietal area showed a positive correlation with RTs in the NC task in both congruent and neutral conditions. After controlling for the N2 amplitude, this correlation also became significant in the incongruent condition. Our results suggest that AMC training can strengthen the relationship between symbolic representation and numerical magnitude so that numerical information processing becomes quicker and automatic in AMC children.

  19. Computational methods for aerodynamic design using numerical optimization

    NASA Technical Reports Server (NTRS)

    Peeters, M. F.

    1983-01-01

    Five methods to increase the computational efficiency of aerodynamic design using numerical optimization, by reducing the computer time required to perform gradient calculations, are examined. The most promising method consists of drastically reducing the size of the computational domain on which aerodynamic calculations are made during gradient calculations. Since a gradient calculation requires the solution of the flow about an airfoil whose geometry was slightly perturbed from a base airfoil, the flow about the base airfoil is used to determine boundary conditions on the reduced computational domain. This method worked well in subcritical flow.

  20. Optimization methods and silicon solar cell numerical models

    NASA Technical Reports Server (NTRS)

    Girardini, K.; Jacobsen, S. E.

    1986-01-01

    An optimization algorithm for use with numerical silicon solar cell models was developed. By coupling an optimization algorithm with a solar cell model, it is possible to simultaneously vary design variables such as impurity concentrations, front junction depth, back junction depth, and cell thickness to maximize the predicted cell efficiency. An optimization algorithm was developed and interfaced with the Solar Cell Analysis Program in 1 Dimension (SCAP1D). SCAP1D uses finite difference methods to solve the differential equations which, along with several relations from the physics of semiconductors, describe mathematically the performance of a solar cell. A major obstacle is that the numerical methods used in SCAP1D require a significant amount of computer time, and during an optimization the model is called iteratively until the design variables converge to the values associated with the maximum efficiency. This problem was alleviated by designing an optimization code specifically for use with numerically intensive simulations, to reduce the number of times the efficiency has to be calculated to achieve convergence to the optimal solution.

  1. Numerical manifold method based on the method of weighted residuals

    NASA Astrophysics Data System (ADS)

    Li, S.; Cheng, Y.; Wu, Y.-F.

    2005-05-01

    Usually, the governing equations of the numerical manifold method (NMM) are derived from the minimum potential energy principle. For many applied problems it is difficult to derive in general outset the functional forms of the governing equations. This obviously strongly restricts the implementation of the minimum potential energy principle or other variational principles in NMM. In fact, the governing equations of NMM can be derived from a more general method of weighted residuals. By choosing suitable weight functions, the derivation of the governing equations of the NMM from the weighted residual method leads to the same result as that derived from the minimum potential energy principle. This is demonstrated in the paper by deriving the governing equations of the NMM for linear elasticity problems, and also for Laplace's equation for which the governing equations of the NMM cannot be derived from the minimum potential energy principle. The performance of the method is illustrated by three numerical examples.

  2. Numerical Methods of Computational Electromagnetics for Complex Inhomogeneous Systems

    SciTech Connect

    Cai, Wei

    2014-05-15

    Understanding electromagnetic phenomena is the key in many scientific investigation and engineering designs such as solar cell designs, studying biological ion channels for diseases, and creating clean fusion energies, among other things. The objectives of the project are to develop high order numerical methods to simulate evanescent electromagnetic waves occurring in plasmon solar cells and biological ion-channels, where local field enhancement within random media in the former and long range electrostatic interactions in the latter are of major challenges for accurate and efficient numerical computations. We have accomplished these objectives by developing high order numerical methods for solving Maxwell equations such as high order finite element basis for discontinuous Galerkin methods, well-conditioned Nedelec edge element method, divergence free finite element basis for MHD, and fast integral equation methods for layered media. These methods can be used to model the complex local field enhancement in plasmon solar cells. On the other hand, to treat long range electrostatic interaction in ion channels, we have developed image charge based method for a hybrid model in combining atomistic electrostatics and continuum Poisson-Boltzmann electrostatics. Such a hybrid model will speed up the molecular dynamics simulation of transport in biological ion-channels.

  3. Efficient numerical simulation of heat storage in subsurface georeservoirs

    NASA Astrophysics Data System (ADS)

    Boockmeyer, A.; Bauer, S.

    2015-12-01

    The transition of the German energy market towards renewable energy sources, e.g. wind or solar power, requires energy storage technologies to compensate for their fluctuating production. Large amounts of energy could be stored in georeservoirs such as porous formations in the subsurface. One possibility here is to store heat with high temperatures of up to 90°C through borehole heat exchangers (BHEs) since more than 80 % of the total energy consumption in German households are used for heating and hot water supply. Within the ANGUS+ project potential environmental impacts of such heat storages are assessed and quantified. Numerical simulations are performed to predict storage capacities, storage cycle times, and induced effects. For simulation of these highly dynamic storage sites, detailed high-resolution models are required. We set up a model that accounts for all components of the BHE and verified it using experimental data. The model ensures accurate simulation results but also leads to large numerical meshes and thus high simulation times. In this work, we therefore present a numerical model for each type of BHE (single U, double U and coaxial) that reduces the number of elements and the simulation time significantly for use in larger scale simulations. The numerical model includes all BHE components and represents the temporal and spatial temperature distribution with an accuracy of less than 2% deviation from the fully discretized model. By changing the BHE geometry and using equivalent parameters, the simulation time is reduced by a factor of ~10 for single U-tube BHEs, ~20 for double U-tube BHEs and ~150 for coaxial BHEs. Results of a sensitivity study that quantify the effects of different design and storage formation parameters on temperature distribution and storage efficiency for heat storage using multiple BHEs are then shown. It is found that storage efficiency strongly depends on the number of BHEs composing the storage site, their distance and

  4. Efficient integration method for fictitious domain approaches

    NASA Astrophysics Data System (ADS)

    Duczek, Sascha; Gabbert, Ulrich

    2015-10-01

    In the current article, we present an efficient and accurate numerical method for the integration of the system matrices in fictitious domain approaches such as the finite cell method (FCM). In the framework of the FCM, the physical domain is embedded in a geometrically larger domain of simple shape which is discretized using a regular Cartesian grid of cells. Therefore, a spacetree-based adaptive quadrature technique is normally deployed to resolve the geometry of the structure. Depending on the complexity of the structure under investigation this method accounts for most of the computational effort. To reduce the computational costs for computing the system matrices an efficient quadrature scheme based on the divergence theorem (Gauß-Ostrogradsky theorem) is proposed. Using this theorem the dimension of the integral is reduced by one, i.e. instead of solving the integral for the whole domain only its contour needs to be considered. In the current paper, we present the general principles of the integration method and its implementation. The results to several two-dimensional benchmark problems highlight its properties. The efficiency of the proposed method is compared to conventional spacetree-based integration techniques.

  5. Efficient algorithms for numerical simulation of the motion of earth satellites

    NASA Astrophysics Data System (ADS)

    Bordovitsyna, T. V.; Bykova, L. E.; Kardash, A. V.; Fedyaev, Yu. A.; Sharkovskii, N. A.

    1992-08-01

    We briefly present our results obtained during the development and an investigation of the efficacy of algorithms for numerical prediction of the motion of earth satellites (ESs) using computers of different power. High accuracy and efficiency in predicting ES motion are achieved by using higher-order numerical methods, transformations that regularize and stabilize the equations of motion, and a high-precision model of the forces acting on an ES. This approach enables us to construct efficient algorithms of the required accuracy, both for universal computers with a large RAM and for personal computers with very limited capacity.

  6. The Improvement of Efficiency in the Numerical Computation of Orbit Trajectories

    NASA Technical Reports Server (NTRS)

    Dyer, J.; Danchick, R.; Pierce, S.; Haney, R.

    1972-01-01

    An analysis, system design, programming, and evaluation of results are described for numerical computation of orbit trajectories. Evaluation of generalized methods, interaction of different formulations for satellite motion, transformation of equations of motion and integrator loads, and development of efficient integrators are also considered.

  7. Efficient numerical simulation of electron states in quantum wires

    NASA Technical Reports Server (NTRS)

    Kerkhoven, Thomas; Galick, Albert T.; Ravaioli, Umberto; Arends, John H.; Saad, Youcef

    1990-01-01

    A new algorithm is presented for the numerical simulation of electrons in a quantum wire as described by a two-dimensional eigenvalue problem for Schroedinger's equation coupled with Poisson's equation. Initially, the algorithm employs an underrelaxed fixed point iteration to generate an approximation which is reasonably close to the solution. Subsequently, this approximate solution is employed as an initial guess for a Jacobian-free implementation of an approximate Newton method. In this manner the nonlinearity in the model is dealt with effectively. The effectiveness of this approach is demonstrated in a set of numerical experiments which study the electron states on the cross section of a quantum wire structure based on III-V semiconductors at 4.2 and 77 K.

  8. An efficient cuckoo search algorithm for numerical function optimization

    NASA Astrophysics Data System (ADS)

    Ong, Pauline; Zainuddin, Zarita

    2013-04-01

    Cuckoo search algorithm which reproduces the breeding strategy of the best known brood parasitic bird, the cuckoos has demonstrated its superiority in obtaining the global solution for numerical optimization problems. However, the involvement of fixed step approach in its exploration and exploitation behavior might slow down the search process considerably. In this regards, an improved cuckoo search algorithm with adaptive step size adjustment is introduced and its feasibility on a variety of benchmarks is validated. The obtained results show that the proposed scheme outperforms the standard cuckoo search algorithm in terms of convergence characteristic while preserving the fascinating features of the original method.

  9. Numerical simulation of boundary layers. Part 1: Weak formulation and numerical method

    NASA Technical Reports Server (NTRS)

    Spalart, P. R.

    1986-01-01

    A numerical method designed to solve the time-dependent, three-dimensional, incompressible Navier-Stokes equations in boundary layers is presented. The fluid domain is the half-space over a flat plate, and periodic conditions are applied in the horizontal directions. The discretization is spectral. The basis functions are divergence-free and a weak formulation of the momentum equation is used, which eliminates the pressure term. An exponential mapping and Jacobi polynomials are used in the semi-infinite direction, with the irrotational component receiving special treatment. Issues related to the accuracy, stability and efficiency of the method are discussed. Very fast convergence is demonstrated on some model problems with smooth solutions. The method has also been shown to accurately resolve the fine scales of transitional and turbulent boundary layers.

  10. Fast numerical treatment of nonlinear wave equations by spectral methods

    SciTech Connect

    Skjaeraasen, Olaf; Robinson, P. A.; Newman, D. L.

    2011-02-15

    A method is presented that accelerates spectral methods for numerical solution of a broad class of nonlinear partial differential wave equations that are first order in time and that arise in plasma wave theory. The approach involves exact analytical treatment of the linear part of the wave evolution including growth and damping as well as dispersion. After introducing the method for general scalar and vector equations, we discuss and illustrate it in more detail in the context of the coupling of high- and low-frequency plasma wave modes, as modeled by the electrostatic and electromagnetic Zakharov equations in multiple dimensions. For computational efficiency, the method uses eigenvector decomposition, which is particularly advantageous when the wave damping is mode-dependent and anisotropic in wavenumber space. In this context, it is shown that the method can significantly speed up numerical integration relative to standard spectral or finite difference methods by allowing much longer time steps, especially in the limit in which the nonlinear Schroedinger equation applies.

  11. Numerical Continuation Methods for Intrusive Uncertainty Quantification Studies

    SciTech Connect

    Safta, Cosmin; Najm, Habib N.; Phipps, Eric Todd

    2014-09-01

    Rigorous modeling of engineering systems relies on efficient propagation of uncertainty from input parameters to model outputs. In recent years, there has been substantial development of probabilistic polynomial chaos (PC) Uncertainty Quantification (UQ) methods, enabling studies in expensive computational models. One approach, termed ”intrusive”, involving reformulation of the governing equations, has been found to have superior computational performance compared to non-intrusive sampling-based methods in relevant large-scale problems, particularly in the context of emerging architectures. However, the utility of intrusive methods has been severely limited due to detrimental numerical instabilities associated with strong nonlinear physics. Previous methods for stabilizing these constructions tend to add unacceptably high computational costs, particularly in problems with many uncertain parameters. In order to address these challenges, we propose to adapt and improve numerical continuation methods for the robust time integration of intrusive PC system dynamics. We propose adaptive methods, starting with a small uncertainty for which the model has stable behavior and gradually moving to larger uncertainty where the instabilities are rampant, in a manner that provides a suitable solution.

  12. Numerical methods for the Poisson-Fermi equation in electrolytes

    NASA Astrophysics Data System (ADS)

    Liu, Jinn-Liang

    2013-08-01

    The Poisson-Fermi equation proposed by Bazant, Storey, and Kornyshev [Phys. Rev. Lett. 106 (2011) 046102] for ionic liquids is applied to and numerically studied for electrolytes and biological ion channels in three-dimensional space. This is a fourth-order nonlinear PDE that deals with both steric and correlation effects of all ions and solvent molecules involved in a model system. The Fermi distribution follows from classical lattice models of configurational entropy of finite size ions and solvent molecules and hence prevents the long and outstanding problem of unphysical divergence predicted by the Gouy-Chapman model at large potentials due to the Boltzmann distribution of point charges. The equation reduces to Poisson-Boltzmann if the correlation length vanishes. A simplified matched interface and boundary method exhibiting optimal convergence is first developed for this equation by using a gramicidin A channel model that illustrates challenging issues associated with the geometric singularities of molecular surfaces of channel proteins in realistic 3D simulations. Various numerical methods then follow to tackle a range of numerical problems concerning the fourth-order term, nonlinearity, stability, efficiency, and effectiveness. The most significant feature of the Poisson-Fermi equation, namely, its inclusion of steric and correlation effects, is demonstrated by showing good agreement with Monte Carlo simulation data for a charged wall model and an L type calcium channel model.

  13. Advanced numerical methods in mesh generation and mesh adaptation

    SciTech Connect

    Lipnikov, Konstantine; Danilov, A; Vassilevski, Y; Agonzal, A

    2010-01-01

    Numerical solution of partial differential equations requires appropriate meshes, efficient solvers and robust and reliable error estimates. Generation of high-quality meshes for complex engineering models is a non-trivial task. This task is made more difficult when the mesh has to be adapted to a problem solution. This article is focused on a synergistic approach to the mesh generation and mesh adaptation, where best properties of various mesh generation methods are combined to build efficiently simplicial meshes. First, the advancing front technique (AFT) is combined with the incremental Delaunay triangulation (DT) to build an initial mesh. Second, the metric-based mesh adaptation (MBA) method is employed to improve quality of the generated mesh and/or to adapt it to a problem solution. We demonstrate with numerical experiments that combination of all three methods is required for robust meshing of complex engineering models. The key to successful mesh generation is the high-quality of the triangles in the initial front. We use a black-box technique to improve surface meshes exported from an unattainable CAD system. The initial surface mesh is refined into a shape-regular triangulation which approximates the boundary with the same accuracy as the CAD mesh. The DT method adds robustness to the AFT. The resulting mesh is topologically correct but may contain a few slivers. The MBA uses seven local operations to modify the mesh topology. It improves significantly the mesh quality. The MBA method is also used to adapt the mesh to a problem solution to minimize computational resources required for solving the problem. The MBA has a solid theoretical background. In the first two experiments, we consider the convection-diffusion and elasticity problems. We demonstrate the optimal reduction rate of the discretization error on a sequence of adaptive strongly anisotropic meshes. The key element of the MBA method is construction of a tensor metric from hierarchical edge

  14. Numerical investigation of cone angle effect on the flow field and separation efficiency of deoiling hydrocyclones

    NASA Astrophysics Data System (ADS)

    Saidi, Maysam; Maddahian, Reza; Farhanieh, Bijan

    2013-02-01

    In this study, the effect of cone angle on the flow field and separation efficiency of deoiling hydrocyclones is investigated taking advantage of large eddy simulation. The dynamic Smagorinsky is employed to determine the residual stress tensor of the continuous phase. The method of Lagrangian particle tracking with an optimized search algorithm (closest cell) is applied to evaluate the separation efficiency of deoiling hydrocyclone. Simulations are performed on a 35-mm deoiling hydrocyclone with the three different cone angles of 6, 10 and 20 degree. The numerical results revealed that the changes in the cone angle would affect the velocity and pressure distribution inside hydrocyclone, and lead to changes in the separation efficiency. However, the large cone angle increases the tangential velocity and pressure gradient inside the hydrocyclone, but reduces the separation efficiency. The reasons behind the decrease in the separation efficiency are the flow structure and reduction of oil droplets residence time in hydrocyclones with large cone angles.

  15. The numerical methods for the fluid flow of UCMCWS

    SciTech Connect

    Zhang Wenfu; Li Hui; Zhu Shuquan; Wang Zuna

    1997-12-31

    As an alternative for diesel oil for internal combustion engines, the fluid flow state of Ultra Clean Micronized Coal-Water Slurry (UCMCWS) in mini pipe and nozzle of a diesel engine must be known. In the laboratory three kinds of UCMCWS have been made with coal containing less than 0.8% ash, viscosity less than 600 mPa.s and concentration between 50% and 56%. Because the UCMCWS is a non-Newtonian fluid, there are no analytical resolution for pipe flow, especially in inlet and outlet sections. In this case using the numerical methods to research the flow state of UCMCWS is a useful method. Using the method of finite element, the flow state of UCMCWS in inlet and outlet sections (similar to a nozzle) have been studied. The distribution of velocity at different pressures of UCMCWS in outlet and inlet sections have been obtained. The result of the numerical methods is the efficient base for the pipe and nozzle design.

  16. Efficient energy stable numerical schemes for a phase field moving contact line model

    NASA Astrophysics Data System (ADS)

    Shen, Jie; Yang, Xiaofeng; Yu, Haijun

    2015-03-01

    In this paper, we present two efficient energy stable schemes to solve a phase field model incorporating moving contact line. The model is a coupled system that consists of incompressible Navier-Stokes equations with a generalized Navier boundary condition and Cahn-Hilliard equation in conserved form. In both schemes the projection method is used to deal with the Navier-Stokes equations and stabilization approach is used for the non-convex Ginzburg-Landau bulk potential. By some subtle explicit-implicit treatments, we obtain a linear coupled energy stable scheme for systems with dynamic contact line conditions and a linear decoupled energy stable scheme for systems with static contact line conditions. An efficient spectral-Galerkin spatial discretization method is implemented to verify the accuracy and efficiency of proposed schemes. Numerical results show that the proposed schemes are very efficient and accurate.

  17. A numerical method for solving the Vlasov equation

    NASA Technical Reports Server (NTRS)

    Satofuka, N.

    1982-01-01

    A numerical procedure is derived for the solution of the Vlasov-Poisson system of equations in two phase-space variables. Derivatives with respect to the phase-space variables are approximated by a weighted sum of the values of the distribution function at property chosen neighboring points. The resulting set of ordinary differential equations is then solved by using an appropriate time intergration scheme. The accuracy of the proposed method is tested with some simple model problems. The results for the free streaming case, linear Landau damping, and nonlinear Landau damping are investigated and compared with those of the splitting scheme. The proposed method is found to be very accurate and efficient.

  18. Efficient Cfd/csd Coupling Methods for Aeroelastic Applications

    NASA Astrophysics Data System (ADS)

    Chen, Long; Xu, Tianhao; Xie, Jing

    2016-06-01

    A fast aeroelastic numerical simulation method using CFD/CSD coupling are developed. Generally, aeroelastic numerical simulation costs much time and significant hardware resources with CFD/CSD coupling. In this paper, dynamic grid method, full implicit scheme, parallel technology and improved coupling method are researched for efficiency simulation. An improved Delaunay graph mapping method is proposed for efficient dynamic grid deform. Hybrid grid finite volume method is used to solve unsteady flow fields. The dual time stepping method based on parallel implicit scheme is used in temporal discretization for efficiency simulation. An approximate system of linear equations is solved by the GMRES algorithm with a LU-SGS preconditioner. This method leads to a significant increase in performance over the explicit and LU-SGS implicit methods. A modification of LU-SGS is proposed to improve the parallel performance. Parallel computing overs a very effective way to improve our productivity in doing CFD/CFD coupling analysis. Improved loose coupling method is an efficiency way over the loose coupling method and tight coupling method. 3D wing's aeroelastic phenomenon is simulated by solving Reynolds-averaged Navier-Stokes equations using improved loose coupling method. The flutter boundary is calculated and agrees well with experimental data. The transonic hole is very clear in numerical simulation results.

  19. An Efficient Numerical Solution to the Stochastic Collection Equation.

    NASA Astrophysics Data System (ADS)

    Tzivion (Tzitzvashvili), Shalva; Feingold, Graham; Levin, Zev

    1987-11-01

    A new, accurate, efficient method for solving the stochastic collection equation (SCE) is proposed. The SCE is converted to a set of moment equations in categories using a new analytical form of Bleck&s approach. The equations are written in a form amenable to solution and to a category-by-category analysis of drop formation and removal. This method is unique in that closure of the equations is achieved using an expression relating high-order moments to any two lower order moments, thereby restricting the need for approximation of the category distribution function only to integrals over incomplete categories. Moments in categories are then expressed in terms of complete moments with the aid of linear or cubic polynomials. The method is checked for the case of the constant kernel and a linear polynomial kernel. Results show that excellent approximation to the analytical solutions for these kernels are obtained. This is achieved without the use of weighting functions and with modest computing time requirements. The method conserves two or more moments of the spectrum (as required) and successfully alleviates the artificial enhancement of the collection process which is a feature of many schemes.

  20. Libration Orbit Mission Design: Applications of Numerical & Dynamical Methods

    NASA Technical Reports Server (NTRS)

    Bauer, Frank (Technical Monitor); Folta, David; Beckman, Mark

    2002-01-01

    Sun-Earth libration point orbits serve as excellent locations for scientific investigations. These orbits are often selected to minimize environmental disturbances and maximize observing efficiency. Trajectory design in support of libration orbits is ever more challenging as more complex missions are envisioned in the next decade. Trajectory design software must be further enabled to incorporate better understanding of the libration orbit solution space and thus improve the efficiency and expand the capabilities of current approaches. The Goddard Space Flight Center (GSFC) is currently supporting multiple libration missions. This end-to-end support consists of mission operations, trajectory design, and control. It also includes algorithm and software development. The recently launched Microwave Anisotropy Probe (MAP) and upcoming James Webb Space Telescope (JWST) and Constellation-X missions are examples of the use of improved numerical methods for attaining constrained orbital parameters and controlling their dynamical evolution at the collinear libration points. This paper presents a history of libration point missions, a brief description of the numerical and dynamical design techniques including software used, and a sample of future GSFC mission designs.

  1. Numerical method of characteristics for one-dimensional blood flow

    NASA Astrophysics Data System (ADS)

    Acosta, Sebastian; Puelz, Charles; Rivière, Béatrice; Penny, Daniel J.; Rusin, Craig G.

    2015-08-01

    Mathematical modeling at the level of the full cardiovascular system requires the numerical approximation of solutions to a one-dimensional nonlinear hyperbolic system describing flow in a single vessel. This model is often simulated by computationally intensive methods like finite elements and discontinuous Galerkin, while some recent applications require more efficient approaches (e.g. for real-time clinical decision support, phenomena occurring over multiple cardiac cycles, iterative solutions to optimization/inverse problems, and uncertainty quantification). Further, the high speed of pressure waves in blood vessels greatly restricts the time step needed for stability in explicit schemes. We address both cost and stability by presenting an efficient and unconditionally stable method for approximating solutions to diagonal nonlinear hyperbolic systems. Theoretical analysis of the algorithm is given along with a comparison of our method to a discontinuous Galerkin implementation. Lastly, we demonstrate the utility of the proposed method by implementing it on small and large arterial networks of vessels whose elastic and geometrical parameters are physiologically relevant.

  2. Numerical matrix method for quantum periodic potentials

    NASA Astrophysics Data System (ADS)

    Le Vot, Felipe; Meléndez, Juan J.; Yuste, Santos B.

    2016-06-01

    A numerical matrix methodology is applied to quantum problems with periodic potentials. The procedure consists essentially in replacing the true potential by an alternative one, restricted by an infinite square well, and in expressing the wave functions as finite superpositions of eigenfunctions of the infinite well. A matrix eigenvalue equation then yields the energy levels of the periodic potential within an acceptable accuracy. The methodology has been successfully used to deal with problems based on the well-known Kronig-Penney (KP) model. Besides the original model, these problems are a dimerized KP solid, a KP solid containing a surface, and a KP solid under an external field. A short list of additional problems that can be solved with this procedure is presented.

  3. Computationally Efficient Numerical Model for the Evolution of Directional Ocean Surface Waves

    NASA Astrophysics Data System (ADS)

    Malej, M.; Choi, W.; Goullet, A.

    2011-12-01

    The main focus of this work has been the asymptotic and numerical modeling of weakly nonlinear ocean surface wave fields. In particular, a development of an efficient numerical model for the evolution of nonlinear ocean waves, including extreme waves known as Rogue/Freak waves, is of direct interest. Due to their elusive and destructive nature, the media often portrays Rogue waves as unimaginatively huge and unpredictable monsters of the sea. To address some of these concerns, derivations of reduced phase-resolving numerical models, based on the small wave steepness assumption, are presented and their corresponding numerical simulations via Fourier pseudo-spectral methods are discussed. The simulations are initialized with a well-known JONSWAP wave spectrum and different angular distributions are employed. Both deterministic and Monte-Carlo ensemble average simulations were carried out. Furthermore, this work concerns the development of a new computationally efficient numerical model for the short term prediction of evolving weakly nonlinear ocean surface waves. The derivations are originally based on the work of West et al. (1987) and since the waves in the ocean tend to travel primarily in one direction, the aforementioned new numerical model is derived with an additional assumption of a weak transverse dependence. In turn, comparisons of the ensemble averaged randomly initialized spectra, as well as deterministic surface-to-surface correlations are presented. The new model is shown to behave well in various directional wave fields and can potentially be a candidate for computationally efficient prediction and propagation of extreme ocean surface waves - Rogue/Freak waves.

  4. Numerical methods in Markov chain modeling

    NASA Technical Reports Server (NTRS)

    Philippe, Bernard; Saad, Youcef; Stewart, William J.

    1989-01-01

    Several methods for computing stationary probability distributions of Markov chains are described and compared. The main linear algebra problem consists of computing an eigenvector of a sparse, usually nonsymmetric, matrix associated with a known eigenvalue. It can also be cast as a problem of solving a homogeneous singular linear system. Several methods based on combinations of Krylov subspace techniques are presented. The performance of these methods on some realistic problems are compared.

  5. Interpolation Method Needed for Numerical Uncertainty

    NASA Technical Reports Server (NTRS)

    Groves, Curtis E.; Ilie, Marcel; Schallhorn, Paul A.

    2014-01-01

    Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors.

  6. Numerical analysis of the orthogonal descent method

    SciTech Connect

    Shokov, V.A.; Shchepakin, M.B.

    1994-11-01

    The author of the orthogonal descent method has been testing it since 1977. The results of these tests have only strengthened the need for further analysis and development of orthogonal descent algorithms for various classes of convex programming problems. Systematic testing of orthogonal descent algorithms and comparison of test results with other nondifferentiable optimization methods was conducted at TsEMI RAN in 1991-1992 using the results.

  7. Two Different Methods for Numerical Solution of the Modified Burgers' Equation

    PubMed Central

    Karakoç, Seydi Battal Gazi; Başhan, Ali; Geyikli, Turabi

    2014-01-01

    A numerical solution of the modified Burgers' equation (MBE) is obtained by using quartic B-spline subdomain finite element method (SFEM) over which the nonlinear term is locally linearized and using quartic B-spline differential quadrature (QBDQM) method. The accuracy and efficiency of the methods are discussed by computing L 2 and L ∞ error norms. Comparisons are made with those of some earlier papers. The obtained numerical results show that the methods are effective numerical schemes to solve the MBE. A linear stability analysis, based on the von Neumann scheme, shows the SFEM is unconditionally stable. A rate of convergence analysis is also given for the DQM. PMID:25162064

  8. Fast Numerical Methods for the Design of Layered Photonic Structures with Rough Interfaces

    NASA Technical Reports Server (NTRS)

    Komarevskiy, Nikolay; Braginsky, Leonid; Shklover, Valery; Hafner, Christian; Lawson, John

    2011-01-01

    Modified boundary conditions (MBC) and a multilayer approach (MA) are proposed as fast and efficient numerical methods for the design of 1D photonic structures with rough interfaces. These methods are applicable for the structures, composed of materials with arbitrary permittivity tensor. MBC and MA are numerically validated on different types of interface roughness and permittivities of the constituent materials. The proposed methods can be combined with the 4x4 scattering matrix method as a field solver and an evolutionary strategy as an optimizer. The resulted optimization procedure is fast, accurate, numerically stable and can be used to design structures for various applications.

  9. Adaptive Numerical Dissipation Controls for High Order Methods

    NASA Technical Reports Server (NTRS)

    Yee, Helen C.; Sjogreen, B.; Sandham, N. D.; Mansour, Nagi (Technical Monitor)

    2001-01-01

    A numerical scheme for direct numerical simulation of shock-turbulence interactions of high speed compressible flows would ideally not be significantly more expensive than the standard fourth or sixth-order compact or non-compact central differencing scheme. It should be possible to resolve all scales down to scales of order of the Kolmogorov scales of turbulence accurately and efficiently, while at the same time being able to capture steep gradients occurring at much smaller scales efficiently. The goal of this lecture is to review the progress and new development of the low dissipative high order shock-capturing schemes proposed by Yee et al. Comparison on the efficiency and accuracy of this class of schemes with spectral and the fifth-order WENO (weighted essentially nonoscillatory) scheme will be presented. A new approach to dynamically sense the appropriate amount of numerical dissipation to be added at each grid point using non-orthogonal wavelets will be discussed.

  10. Numerical simulation of the boat growth method

    NASA Astrophysics Data System (ADS)

    Oda, K.; Saito, T.; Nishihama, J.; Ishihara, T.

    1989-09-01

    This paper presents a three-dimensional mathematical model for thermal convection in molten metals, which is applicable to the heat transfer phenomena in a boat-shaped crucibles. The governing equations are solved using an extended version, developed by Saito et al. (1986), of the Amsden and Harlow (1968) simplified marker and cell method. It is shown that the following parameters must be incorporated for an accurate simulation of melt growth: (1) the radiative heat transfer in the furnace, (2) the complex crucible configuration, (3) the melt flow, and (4) the solid-liquid interface shape. The velocity and temperature distribution calculated from this model are compared with the results of previous studies.

  11. Numerical methods for analyzing electromagnetic scattering

    NASA Technical Reports Server (NTRS)

    Lee, S. W.; Lo, Y. T.; Chuang, S. L.; Lee, C. S.

    1985-01-01

    Attenuation properties of the normal modes in an overmoded waveguide coated with a lossy material were analyzed. It is found that the low-order modes, can be significantly attenuated even with a thin layer of coating if the coating material is not too lossy. A thinner layer of coating is required for large attenuation of the low-order modes if the coating material is magnetic rather than dielectric. The Radar Cross Section (RCS) from an uncoated circular guide terminated by a perfect electric conductor was calculated and compared with available experimental data. It is confirmed that the interior irradiation contributes to the RCS. The equivalent-current method based on the geometrical theory of diffraction (GTD) was chosen for the calculation of the contribution from the rim diffraction. The RCS reduction from a coated circular guide terminated by a PEC are planned schemes for the experiments are included. The waveguide coated with a lossy magnetic material is suggested as a substitute for the corrugated waveguide.

  12. Efficient implementation to numerically solve the nonlinear time fractional parabolic problems on unbounded spatial domain

    NASA Astrophysics Data System (ADS)

    Li, Dongfang; Zhang, Jiwei

    2016-10-01

    Anomalous diffusion behavior in many practical problems can be described by the nonlinear time-fractional parabolic problems on unbounded domain. The numerical simulation is a challenging problem due to the dependence of global information from time fractional operators, the nonlinearity of the problem and the unboundedness of the spacial domain. To overcome the unboundedness, conventional computational methods lead to extremely expensive costs, especially in high dimensions with a simple treatment of boundary conditions by making the computational domain large enough. In this paper, based on unified approach proposed in [25], we derive the efficient nonlinear absorbing boundary conditions (ABCs), which reformulates the problem on unbounded domain to an initial boundary value problem on bounded domain. To overcome nonlinearity, we construct a linearized finite difference scheme to solve the reduced nonlinear problem such that iterative methods become dispensable. And the stability and convergence of our linearized scheme are proved. Most important, we prove that the numerical solutions are bounded by the initial values with a constant coefficient, i.e., the constant coefficient is independent of the time. Overall, the computational cost can be significantly reduced comparing with the usual implicit schemes and a simple treatment of boundary conditions. Finally, numerical examples are given to demonstrate the efficiency of the artificial boundary conditions and theoretical results of the schemes.

  13. Finite strip method combined with other numerical methods for the analysis of plates

    NASA Astrophysics Data System (ADS)

    Cheung, M. S.; Li, Wenchang

    1992-09-01

    Finite plate strips are combined with finite elements or boundary elements in the analysis of rectangular plates with some minor irregularities such as openings, skew edges, etc. The plate is divided into regular and irregular regions. The regular region is analyzed by the finite strip method while the irregular one is analyzed by the finite element or boundary element method. A special transition element and strip are developed in order to connect the both regions. Numerical examples will show the accuracy and efficiency of this combined analysis.

  14. Numerical study on the influence of boss cap fins on efficiency of controllable-pitch propeller

    NASA Astrophysics Data System (ADS)

    Xiong, Ying; Wang, Zhanzhi; Qi, Wanjiang

    2013-03-01

    Numerical simulation is investigated to disclose how propeller boss cap fins (PBCF) operate utilizing Reynolds-averaged Navier-Stokes (RANS) method. In addition, exploration of the influencing mechanism of PBCF on the open water efficiency of one controllable-pitch propeller is analyzed through the open water characteristic curves, blade surface pressure distribution and hub streamline distribution. On this basis, the influence of parameters including airfoil profile, diameter, axial position of installation and circumferential installation angle on the open water efficiency of the controllable-pitch propeller is investigated. Numerical results show: for the controllable-pitch propeller, the thrust generated is at the optimum when the radius of boss cap fins is 1.5 times of propeller hub with an optimal installation position in the axial direction, and its optimal circumferential installation position is the midpoint of the extension line of the front and back ends of two adjacent propeller roots in the front of fin root. Under these optimal parameters, the gain of open water efficiency of the controllable-pitch propeller with different advance velocity coefficients is greater than 0.01, which accounts for approximately an increase of 1%-5% of open water efficiency.

  15. An efficient numerical model for multicomponent compressible flow in fractured porous media

    NASA Astrophysics Data System (ADS)

    Zidane, Ali; Firoozabadi, Abbas

    2014-12-01

    An efficient and accurate numerical model for multicomponent compressible single-phase flow in fractured media is presented. The discrete-fracture approach is used to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross flow equilibrium in the fractures. This will allow large matrix elements in the neighborhood of the fractures and considerable speed up of the algorithm. We use an implicit finite volume (FV) scheme to solve the species mass balance equation in the fractures. This step avoids the use of Courant-Freidricks-Levy (CFL) condition and contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix. Four numerical examples are presented to demonstrate the robustness and efficiency of the proposed model. We show that the combination of the fracture cross-flow equilibrium and the implicit composition calculation in the fractures increase the computational speed 20-130 times in 2D. In 3D, one may expect even a higher computational efficiency.

  16. Numerical Analysis on the Vortex Pattern and Flux Particle Dispersion in KR Method Using MPS Method

    NASA Astrophysics Data System (ADS)

    Hirata, N.; Xu, Y.; Anzai, K.

    2015-06-01

    The mechanically-stirring vessel is widely used in many fields, such as chemical reactor, bioreactor, and metallurgy, etc. The type of vortex mode that formed during impeller stirring has great effect on stirring efficiency, chemical reacting rate and air entrapment. Many efforts have been made to numerically simulate the fluid flow in the stirring vessel with classical Eulerian method. However, it is difficult to directly investigate the vortex mode and flux particle dispersion. Therefore, moving particle semi-implicit (MPS) method, which is based on Lagrangian method, is applied to simulate the fluid flow in a KR method in this practice. Top height and bottom heights of vortex surface in a steady state under several rotation speed was taken as key parameters to compare the results of numerical and published results. Flux particle dispersion behaviour under a rotation speed range from 80 to 480 rpm was also compared with the past study. The result shows that the numerical calculation has high consistency with experimental results. It is confirmed that the calculation using MPS method well reflected the vortex mode and flux particle dispersion in a mechanically-stirring vessel.

  17. Study on Efficient Numerical Simulation Technology of Mold Filling Process of Casting

    NASA Astrophysics Data System (ADS)

    Yang, Liushuan; Wang, Xiao; Huang, Jinliang; Zhang, Shaoli

    The paper based on the SOLA-VOF, depended on the meaning of the equation result in the algebra and geometry, brings forward a new idea and the rapid iterative arithmetic. According to the rapid iterative arithmetic, a program of the rapid calculating method of flow field and the numerical simulation experiment using the standard casting have been made by the author. The result showed that the calculating efficiency has increased by 3~4 times than before, the accuracy equals to the SOLA-VOF, which can meet the requirements of the application.

  18. Numerical solution of integral-algebraic equations for multistep methods

    NASA Astrophysics Data System (ADS)

    Budnikova, O. S.; Bulatov, M. V.

    2012-05-01

    Systems of Volterra linear integral equations with identically singular matrices in the principal part (called integral-algebraic equations) are examined. Multistep methods for the numerical solution of a selected class of such systems are proposed and justified.

  19. Efficient and robust implementation of the TLISMNI method

    NASA Astrophysics Data System (ADS)

    Aboubakr, Ahmed K.; Shabana, Ahmed A.

    2015-09-01

    The dynamics of large scale and complex multibody systems (MBS) that include flexible bodies and contact/impact pairs is governed by stiff equations. Because explicit integration methods can be inefficient and often fail in the case of stiff problems, the use of implicit numerical integration methods is recommended in this case. This paper presents a new and efficient implementation of the two-loop implicit sparse matrix numerical integration (TLISMNI) method proposed for the solution of constrained rigid and flexible MBS differential and algebraic equations. The TLISMNI method has desirable features that include avoiding numerical differentiation of the forces, allowing for an efficient sparse matrix implementation, and ensuring that the kinematic constraint equations are satisfied at the position, velocity and acceleration levels. In this method, a sparse Lagrangian augmented form of the equations of motion that ensures that the constraints are satisfied at the acceleration level is used to solve for all the accelerations and Lagrange multipliers. The generalized coordinate partitioning or recursive methods can be used to satisfy the constraint equations at the position and velocity levels. In order to improve the efficiency and robustness of the TLISMNI method, the simple iteration and the Jacobian-Free Newton-Krylov approaches are used in this investigation. The new implementation is tested using several low order formulas that include Hilber-Hughes-Taylor (HHT), L-stable Park, A-stable Trapezoidal, and A-stable BDF methods. The HHT method allows for including numerical damping. Discussion on which method is more appropriate to use for a certain application is provided. The paper also discusses TLISMNI implementation issues including the step size selection, the convergence criteria, the error control, and the effect of the numerical damping. The use of the computer algorithm described in this paper is demonstrated by solving complex rigid and flexible tracked

  20. Asymptotic-induced numerical methods for conservation laws

    NASA Technical Reports Server (NTRS)

    Garbey, Marc; Scroggs, Jeffrey S.

    1990-01-01

    Asymptotic-induced methods are presented for the numerical solution of hyperbolic conservation laws with or without viscosity. The methods consist of multiple stages. The first stage is to obtain a first approximation by using a first-order method, such as the Godunov scheme. Subsequent stages of the method involve solving internal-layer problems identified by using techniques derived via asymptotics. Finally, a residual correction increases the accuracy of the scheme. The method is derived and justified with singular perturbation techniques.

  1. Photometry of dark atmosphereless planetary bodies: an efficient numerical model

    NASA Astrophysics Data System (ADS)

    Wilkman, Olli; Muinonen, Karri; Peltoniemi, Jouni

    2015-12-01

    We present a scattering model for regolith-covered Solar System bodies. It can be used to compute the intensity of light scattered by a surface consisting of packed, mutually shadowing particles. Our intention is to provide a model in which other researchers can apply in studies of Solar System photometry. Our model is a Lommel-Seeliger type model, representing a medium composed of individual scatterers with small single-scattering albedo. This means that it is suitable for dark regolith surfaces such as the Moon and many classes of asteroids. Our model adds an additional term which takes into account the mutual shadowing between the scatterers. The scatterers can have an arbitrary phase function. We use a numerical ray-tracing simulation to compute the shadowing contribution. We present the model in a form which makes implementing it in existing software straightforward and fast. The model in practice is implemented as files containing pre-computed values of the surface reflection coefficient, which can be loaded into a user's program and used to compute the scattering in the desired viewing geometries. As the usage requires only a little simple arithmetic and a table look-up, it is as fast to use as common analytical models.

  2. Dynamic optimization of distributed biological systems using robust and efficient numerical techniques

    PubMed Central

    2012-01-01

    Background Systems biology allows the analysis of biological systems behavior under different conditions through in silico experimentation. The possibility of perturbing biological systems in different manners calls for the design of perturbations to achieve particular goals. Examples would include, the design of a chemical stimulation to maximize the amplitude of a given cellular signal or to achieve a desired pattern in pattern formation systems, etc. Such design problems can be mathematically formulated as dynamic optimization problems which are particularly challenging when the system is described by partial differential equations. This work addresses the numerical solution of such dynamic optimization problems for spatially distributed biological systems. The usual nonlinear and large scale nature of the mathematical models related to this class of systems and the presence of constraints on the optimization problems, impose a number of difficulties, such as the presence of suboptimal solutions, which call for robust and efficient numerical techniques. Results Here, the use of a control vector parameterization approach combined with efficient and robust hybrid global optimization methods and a reduced order model methodology is proposed. The capabilities of this strategy are illustrated considering the solution of a two challenging problems: bacterial chemotaxis and the FitzHugh-Nagumo model. Conclusions In the process of chemotaxis the objective was to efficiently compute the time-varying optimal concentration of chemotractant in one of the spatial boundaries in order to achieve predefined cell distribution profiles. Results are in agreement with those previously published in the literature. The FitzHugh-Nagumo problem is also efficiently solved and it illustrates very well how dynamic optimization may be used to force a system to evolve from an undesired to a desired pattern with a reduced number of actuators. The presented methodology can be used for the

  3. An efficient numerical technique for calculating thermal spreading resistance

    NASA Technical Reports Server (NTRS)

    Gale, E. H., Jr.

    1973-01-01

    The results of a thermal spreading resistance data generation technique study are reported. The method developed is discussed in detail, illustrative examples given, and the resulting computer program is included.

  4. Symbolic-numeric efficient solution of optimal control problems for multibody systems

    NASA Astrophysics Data System (ADS)

    Bertolazzi, Enrico; Biral, Francesco; da Lio, Mauro

    2006-01-01

    This paper presents an efficient symbolic-numerical approach for generating and solving the boundary value problem-differential algebraic equation (BVP-DAE) originating from the variational form of the optimal control problem (OCP). This paper presents the method for the symbolic derivation, by means of symbolic manipulation software (Maple), of the equations of the OCP applied to a generic multibody system. The constrained problem is transformed into a nonconstrained problem, by means of the Lagrange multipliers and penalty functions. From the first variation of the nonconstrained problem a BVP-DAE is obtained, and the finite difference discretization yields a nonlinear systems. For the numerical solution of the nonlinear system a damped Newton scheme is used. The sparse and structured Jacobians is quickly inverted by exploiting the sparsity pattern in the solution strategy. The proposed method is implemented in an object oriented fashion, and coded in C++ language. Efficiency is ensured in core routines by using Lapack and Blas for linear algebra.

  5. Efficient orbit integration by manifold correction methods.

    PubMed

    Fukushima, Toshio

    2005-12-01

    Triggered by a desire to investigate, numerically, the planetary precession through a long-term numerical integration of the solar system, we developed a new formulation of numerical integration of orbital motion named manifold correct on methods. The main trick is to rigorously retain the consistency of physical relations, such as the orbital energy, the orbital angular momentum, or the Laplace integral, of a binary subsystem. This maintenance is done by applying a correction to the integrated variables at each integration step. Typical methods of correction are certain geometric transformations, such as spatial scaling and spatial rotation, which are commonly used in the comparison of reference frames, or mathematically reasonable operations, such as modularization of angle variables into the standard domain [-pi, pi). The form of the manifold correction methods finally evolved are the orbital longitude methods, which enable us to conduct an extremely precise integration of orbital motions. In unperturbed orbits, the integration errors are suppressed at the machine epsilon level for an indefinitely long period. In perturbed cases, on the other hand, the errors initially grow in proportion to the square root of time and then increase more rapidly, the onset of which depends on the type and magnitude of the perturbations. This feature is also realized for highly eccentric orbits by applying the same idea as used in KS-regularization. In particular, the introduction of time elements greatly enhances the performance of numerical integration of KS-regularized orbits, whether the scaling is applied or not.

  6. EFFECTS OF DIFFERENT NUMERICAL INTERFACE METHODS ON HYDRODYNAMICS INSTABILITY

    SciTech Connect

    FRANCOIS, MARIANNE M.; DENDY, EDWARD D.; LOWRIE, ROBERT B.; LIVESCU, DANIEL; STEINKAMP, MICHAEL J.

    2007-01-11

    The authors compare the effects of different numerical schemes for the advection and material interface treatments on the single-mode Rayleigh-Taylor instability, using the RAGE hydro-code. The interface growth and its surface density (interfacial area) versus time are investigated. The surface density metric shows to be better suited to characterize the difference in the flow, than the conventional interface growth metric. They have found that Van Leer's limiter combined to no interface treatment leads to the largest surface area. Finally, to quantify the difference between the numerical methods they have estimated the numerical viscosity in the linear-regime at different scales.

  7. A numerical method for solving systems of linear ordinary differential equations with rapidly oscillating solutions

    NASA Technical Reports Server (NTRS)

    Bernstein, Ira B.; Brookshaw, Leigh; Fox, Peter A.

    1992-01-01

    The present numerical method for accurate and efficient solution of systems of linear equations proceeds by numerically developing a set of basis solutions characterized by slowly varying dependent variables. The solutions thus obtained are shown to have a computational overhead largely independent of the small size of the scale length which characterizes the solutions; in many cases, the technique obviates series solutions near singular points, and its known sources of error can be easily controlled without a substantial increase in computational time.

  8. Parallel processing numerical method for confined vortex dynamics and applications

    NASA Astrophysics Data System (ADS)

    Bistrian, Diana Alina

    2013-10-01

    This paper explores a combined analytical and numerical technique to investigate the hydrodynamic instability of confined swirling flows, with application to vortex rope dynamics in a Francis turbine diffuser, in condition of sophisticated boundary constraints. We present a new approach based on the method of orthogonal decomposition in the Hilbert space, implemented with a spectral descriptor scheme in discrete space. A parallel implementation of the numerical scheme is conducted reducing the computational time compared to other techniques.

  9. Numeric Modified Adomian Decomposition Method for Power System Simulations

    SciTech Connect

    Dimitrovski, Aleksandar D; Simunovic, Srdjan; Pannala, Sreekanth

    2016-01-01

    This paper investigates the applicability of numeric Wazwaz El Sayed modified Adomian Decomposition Method (WES-ADM) for time domain simulation of power systems. WESADM is a numerical method based on a modified Adomian decomposition (ADM) technique. WES-ADM is a numerical approximation method for the solution of nonlinear ordinary differential equations. The non-linear terms in the differential equations are approximated using Adomian polynomials. In this paper WES-ADM is applied to time domain simulations of multimachine power systems. WECC 3-generator, 9-bus system and IEEE 10-generator, 39-bus system have been used to test the applicability of the approach. Several fault scenarios have been tested. It has been found that the proposed approach is faster than the trapezoidal method with comparable accuracy.

  10. Evolving excised black holes with TVD numerical methods

    NASA Astrophysics Data System (ADS)

    Neilsen, David

    2003-04-01

    Total Variation Diminishing (TVD) numerical methods have improved stability properties for nonlinear differential equations, and are widely used in computational fluid dynamics. While Einstein's equations are not genuinely nonlinear, these methods may be advantageous for solving the Einstein equations in specific instances, such as evolving fluid spacetimes and black holes with excision. Using a Frittelli-Reula formulation of the Einstein equations, I will present results of 1-D and 3-D black hole evolutions, and compare the performance of TVD methods with other numerical approaches.

  11. Collocation Method for Numerical Solution of Coupled Nonlinear Schroedinger Equation

    SciTech Connect

    Ismail, M. S.

    2010-09-30

    The coupled nonlinear Schroedinger equation models several interesting physical phenomena presents a model equation for optical fiber with linear birefringence. In this paper we use collocation method to solve this equation, we test this method for stability and accuracy. Numerical tests using single soliton and interaction of three solitons are used to test the resulting scheme.

  12. A numerical method for solving singular De`s

    SciTech Connect

    Mahaver, W.T.

    1996-12-31

    A numerical method is developed for solving singular differential equations using steepest descent based on weighted Sobolev gradients. The method is demonstrated on a variety of first and second order problems, including linear constrained, unconstrained, and partially constrained first order problems, a nonlinear first order problem with irregular singularity, and two second order variational problems.

  13. Investigating Convergence Patterns for Numerical Methods Using Data Analysis

    ERIC Educational Resources Information Center

    Gordon, Sheldon P.

    2013-01-01

    The article investigates the patterns that arise in the convergence of numerical methods, particularly those in the errors involved in successive iterations, using data analysis and curve fitting methods. In particular, the results obtained are used to convey a deeper level of understanding of the concepts of linear, quadratic, and cubic…

  14. Numerical analysis of a measured efficiency hysteresis on a bulb turbine model

    NASA Astrophysics Data System (ADS)

    Houde, S.; Carrier, A.; Buron, J. D.; Deschênes, C.

    2014-03-01

    Within the framework of the BulbT project, simulations were performed to understand the origin of a measured hysteresis on the efficiency hill chart of a bulb turbine model. This hysteresis is associated with a sharp drop of efficiency located at slightly higher discharge than the best efficiency operating condition. It appears as a variation in the turbine performance whether an operating condition located in the efficiency drop is reached from a lower or a higher discharge. This hysteresis was reproduced numerically using Reynolds Averaged Navier Stokes (RANS) simulations. The paper presents the experimental results, the numerical methodology and a comprehensive analysis of the simulations to shed light on this interesting phenomenon.

  15. Algorithms for the Fractional Calculus: A Selection of Numerical Methods

    NASA Technical Reports Server (NTRS)

    Diethelm, K.; Ford, N. J.; Freed, A. D.; Luchko, Yu.

    2003-01-01

    Many recently developed models in areas like viscoelasticity, electrochemistry, diffusion processes, etc. are formulated in terms of derivatives (and integrals) of fractional (non-integer) order. In this paper we present a collection of numerical algorithms for the solution of the various problems arising in this context. We believe that this will give the engineer the necessary tools required to work with fractional models in an efficient way.

  16. 25 Years of Self-organized Criticality: Numerical Detection Methods

    NASA Astrophysics Data System (ADS)

    McAteer, R. T. James; Aschwanden, Markus J.; Dimitropoulou, Michaila; Georgoulis, Manolis K.; Pruessner, Gunnar; Morales, Laura; Ireland, Jack; Abramenko, Valentyna

    2016-01-01

    The detection and characterization of self-organized criticality (SOC), in both real and simulated data, has undergone many significant revisions over the past 25 years. The explosive advances in the many numerical methods available for detecting, discriminating, and ultimately testing, SOC have played a critical role in developing our understanding of how systems experience and exhibit SOC. In this article, methods of detecting SOC are reviewed; from correlations to complexity to critical quantities. A description of the basic autocorrelation method leads into a detailed analysis of application-oriented methods developed in the last 25 years. In the second half of this manuscript space-based, time-based and spatial-temporal methods are reviewed and the prevalence of power laws in nature is described, with an emphasis on event detection and characterization. The search for numerical methods to clearly and unambiguously detect SOC in data often leads us outside the comfort zone of our own disciplines—the answers to these questions are often obtained by studying the advances made in other fields of study. In addition, numerical detection methods often provide the optimum link between simulations and experiments in scientific research. We seek to explore this boundary where the rubber meets the road, to review this expanding field of research of numerical detection of SOC systems over the past 25 years, and to iterate forwards so as to provide some foresight and guidance into developing breakthroughs in this subject over the next quarter of a century.

  17. Comparison of methods for numerical calculation of continuum damping

    SciTech Connect

    Bowden, G. W.; Hole, M. J.; Dennis, G. R.; Könies, A.; Gorelenkov, N. N.

    2014-05-15

    Continuum resonance damping is an important factor in determining the stability of certain global modes in fusion plasmas. A number of analytic and numerical approaches have been developed to compute this damping, particularly, in the case of the toroidicity-induced shear Alfvén eigenmode. This paper compares results obtained using an analytical perturbative approach with those found using resistive and complex contour numerical approaches. It is found that the perturbative method does not provide accurate agreement with reliable numerical methods for the range of parameters examined. This discrepancy exists even in the limit where damping approaches zero. When the perturbative technique is implemented using a standard finite element method, the damping estimate fails to converge with radial grid resolution. The finite elements used cannot accurately represent the eigenmode in the region of the continuum resonance, regardless of the number of radial grid points used.

  18. Modified Chebyshev Picard Iteration for Efficient Numerical Integration of Ordinary Differential Equations

    NASA Astrophysics Data System (ADS)

    Macomber, B.; Woollands, R. M.; Probe, A.; Younes, A.; Bai, X.; Junkins, J.

    2013-09-01

    Modified Chebyshev Picard Iteration (MCPI) is an iterative numerical method for approximating solutions of linear or non-linear Ordinary Differential Equations (ODEs) to obtain time histories of system state trajectories. Unlike other step-by-step differential equation solvers, the Runge-Kutta family of numerical integrators for example, MCPI approximates long arcs of the state trajectory with an iterative path approximation approach, and is ideally suited to parallel computation. Orthogonal Chebyshev Polynomials are used as basis functions during each path iteration; the integrations of the Picard iteration are then done analytically. Due to the orthogonality of the Chebyshev basis functions, the least square approximations are computed without matrix inversion; the coefficients are computed robustly from discrete inner products. As a consequence of discrete sampling and weighting adopted for the inner product definition, Runge phenomena errors are minimized near the ends of the approximation intervals. The MCPI algorithm utilizes a vector-matrix framework for computational efficiency. Additionally, all Chebyshev coefficients and integrand function evaluations are independent, meaning they can be simultaneously computed in parallel for further decreased computational cost. Over an order of magnitude speedup from traditional methods is achieved in serial processing, and an additional order of magnitude is achievable in parallel architectures. This paper presents a new MCPI library, a modular toolset designed to allow MCPI to be easily applied to a wide variety of ODE systems. Library users will not have to concern themselves with the underlying mathematics behind the MCPI method. Inputs are the boundary conditions of the dynamical system, the integrand function governing system behavior, and the desired time interval of integration, and the output is a time history of the system states over the interval of interest. Examples from the field of astrodynamics are

  19. Using MACSYMA to drive numerical methods to computer radiation integrals

    SciTech Connect

    Clark, B.A.

    1986-01-01

    Because the emission of thermal radiation is characterized by the Planck emission spectrum, a multigroup solution of the thermal-radiation transport equation demands the calculation of definite integrals of the Planck spectrum. In the past, many approximate methods have been used with varying degrees of accuracy and efficiency. This paper describes how a symbolic algebra package, in this case MACSYMA is used to develop new methods for accurately and efficiently evaluating multigroup Planck integrals. The advantage of using a symbolic algebra package is that the job of developing the new methods is accomplished more efficiently.

  20. A new approach to constructing efficient stiffly accurate EPIRK methods

    NASA Astrophysics Data System (ADS)

    Rainwater, G.; Tokman, M.

    2016-10-01

    The structural flexibility of the exponential propagation iterative methods of Runge-Kutta type (EPIRK) enables construction of particularly efficient exponential time integrators. While the EPIRK methods have been shown to perform well on stiff problems, all of the schemes proposed up to now have been derived using classical order conditions. In this paper we extend the stiff order conditions and the convergence theory developed for the exponential Rosenbrock methods to the EPIRK integrators. We derive stiff order conditions for the EPIRK methods and develop algorithms to solve them to obtain specific schemes. Moreover, we propose a new approach to constructing particularly efficient EPIRK integrators that are optimized to work with an adaptive Krylov algorithm. We use a set of numerical examples to illustrate the computational advantages that the newly constructed EPIRK methods offer compared to previously proposed exponential integrators.

  1. Efficient orbit integration by orbital longitude methods

    NASA Astrophysics Data System (ADS)

    Fukushima, T.

    2005-09-01

    Triggered by the desire to investigate numerically the planetary precession through a long-term numerical integration of the solar system, we developed a new formulation of numerical integration of orbital motion named manifold correction methods. The main trick is to keep rigorously the consistency of some physical relations such as that of the orbital energy, of the orbital angular momentum, or of the Laplace integral of a binary subsystem. This maintenance is done by applying a sort of correction to the integrated variables at every integration step. Typical methods of correction are certain geometric transformation such as the spatial scaling and the spatial rotation, which are commonly used in the comparison of reference frames, or mathematically-reasonable operations such as the modularization of angle variables into the standard domain [-π,π). The finally-evolved form of the manifold correction methods is the orbital longitude methods, which enable us to conduct an extremely precise integration of orbital motions. In the unperturbed orbits, the integration errors are suppressed at the machine epsilon level for an infinitely long period. In the perturbed cases, on the other hand, the errors initially grow in proportion to the square root of time and then increase more rapidly, the onset time of which depends on the type and the magnitude of perturbations. This feature is also realized for highly eccentric orbits by applying the same idea to the KS-regularization. Especially the introduction of time element greatly enhances the performance of numerical integration of KS-regularized orbits whether the scaling is applied or not.

  2. Prandtl's Equations: Numerical Results about Singularity Formation and a New Numerical Method

    NASA Astrophysics Data System (ADS)

    Puppo, Gabriella

    1990-01-01

    In this work, new numerical results about singularity formation for unsteady Prandtl's equations are presented. Extensive computations with a Lax Wendroff scheme for the impulsively started circular cylinder show that the gradient of the velocity becomes infinite in a finite time. The accuracy and the simplicity of the Lax Wendroff scheme allow us to couple the resolution given by second order accuracy in space with the detail of an extremely fine grid. Thus, while these computations confirm previous results about singularity formation (Van Dommelen and Shen, Cebeci, Wang), they differ in other respects. In fact the peak in the velocity gradient appears to be located upstream of the region of reversed flow and away from the zero vorticity line. Some analytic arguments are also presented to support these conclusions, independently of the computations. In the second part of this work another new numerical method to solve the unsteady Prandtl equations is proposed. This numerical scheme derives from Chorin's Vortex Sheet method. The equations are also solved with operator splitting, but, unlike Chorin's, this scheme is deterministic. This feature is achieved using a Lagrangian particle formulation for the convective step and solving the diffusion step with finite differences on an Eulerian mesh. Finally, a numerical convergence proof is presented.

  3. Thermodynamically Consistent Physical Formulation and an Efficient Numerical Algorithm for Incompressible N-Phase Flows

    NASA Astrophysics Data System (ADS)

    Dong, Suchuan

    2015-11-01

    This talk focuses on simulating the motion of a mixture of N (N>=2) immiscible incompressible fluids with given densities, dynamic viscosities and pairwise surface tensions. We present an N-phase formulation within the phase field framework that is thermodynamically consistent, in the sense that the formulation satisfies the conservations of mass/momentum, the second law of thermodynamics and Galilean invariance. We also present an efficient algorithm for numerically simulating the N-phase system. The algorithm has overcome the issues caused by the variable coefficient matrices associated with the variable mixture density/viscosity and the couplings among the (N-1) phase field variables and the flow variables. We compare simulation results with the Langmuir-de Gennes theory to demonstrate that the presented method produces physically accurate results for multiple fluid phases. Numerical experiments will be presented for several problems involving multiple fluid phases, large density contrasts and large viscosity contrasts to demonstrate the capabilities of the method for studying the interactions among multiple types of fluid interfaces. Support from NSF and ONR is gratefully acknowledged.

  4. Numerical investigation of the thrust efficiency of a laser propelled vehicle

    SciTech Connect

    mulroy jr

    1990-08-01

    The flow situation for a thruster propelled by ablated gas which is energized by a laser pulse is numerically simulated. The flow is axisymmetric and nonsteady, and is assumed to be inviscid due to its high Reynolds number. The high pressure expansion of the laser heated gas generates thrust as it pushes against the vehicle. Gas expansion lateral to the thrust vector causes performance to decrease. The vehicle geometry and the laser pulse characteristics determine the degree to which the flow is one dimensional. As the thruster's parameters are varied, its impulse is calculated and compared to the limiting impulse of a one-dimensional system, and thus the thrust efficiency is computed. Lateral expansion losses computed by simulating the flow of the expanding gas time-accurately on a computer are far less than losses predicted using the method of characteristics, which is the best alternate means of computation. Flows which exhibit a substantial amount of lateral expansion can still yield an expansion efficiency which exceeds 70%. This finding has significant implications on the eventual design of flight hardware. Steger and Warming's flux split numerics for the Euler equations are modified for blast simulations into near vacuum ambient conditions. At the interface between the near vacuum ambient and the wave front, the solution is first order accurate but sufficiently robust to handle pressure ratios exceeding one million and density ratios exceeding 10,000 between the thrust gas and the ambient gas. Elsewhere the solution is second order accurate. The majority of the calculations performed assume an ideal gas equation of state with {gamma} = 1.2. The propellant Lithium Hydride has shown excellent promise in the laboratory, yielding I{sub sp} = 800-1000 sec. Equilibrium and kinetic modeling of LiH is undertaken, with a variable {gamma} of from 1.25 to 1.66 resulting from the kinetic assumptions of ionization equilibrium and frozen chemistry. These additional

  5. Efficient stochastic Galerkin methods for random diffusion equations

    SciTech Connect

    Xiu Dongbin Shen Jie

    2009-02-01

    We discuss in this paper efficient solvers for stochastic diffusion equations in random media. We employ generalized polynomial chaos (gPC) expansion to express the solution in a convergent series and obtain a set of deterministic equations for the expansion coefficients by Galerkin projection. Although the resulting system of diffusion equations are coupled, we show that one can construct fast numerical methods to solve them in a decoupled fashion. The methods are based on separation of the diagonal terms and off-diagonal terms in the matrix of the Galerkin system. We examine properties of this matrix and show that the proposed method is unconditionally stable for unsteady problems and convergent for steady problems with a convergent rate independent of discretization parameters. Numerical examples are provided, for both steady and unsteady random diffusions, to support the analysis.

  6. COMPARING NUMERICAL METHODS FOR ISOTHERMAL MAGNETIZED SUPERSONIC TURBULENCE

    SciTech Connect

    Kritsuk, Alexei G.; Collins, David; Norman, Michael L.; Xu Hao E-mail: dccollins@lanl.gov

    2011-08-10

    Many astrophysical applications involve magnetized turbulent flows with shock waves. Ab initio star formation simulations require a robust representation of supersonic turbulence in molecular clouds on a wide range of scales imposing stringent demands on the quality of numerical algorithms. We employ simulations of supersonic super-Alfvenic turbulence decay as a benchmark test problem to assess and compare the performance of nine popular astrophysical MHD methods actively used to model star formation. The set of nine codes includes: ENZO, FLASH, KT-MHD, LL-MHD, PLUTO, PPML, RAMSES, STAGGER, and ZEUS. These applications employ a variety of numerical approaches, including both split and unsplit, finite difference and finite volume, divergence preserving and divergence cleaning, a variety of Riemann solvers, and a range of spatial reconstruction and time integration techniques. We present a comprehensive set of statistical measures designed to quantify the effects of numerical dissipation in these MHD solvers. We compare power spectra for basic fields to determine the effective spectral bandwidth of the methods and rank them based on their relative effective Reynolds numbers. We also compare numerical dissipation for solenoidal and dilatational velocity components to check for possible impacts of the numerics on small-scale density statistics. Finally, we discuss the convergence of various characteristics for the turbulence decay test and the impact of various components of numerical schemes on the accuracy of solutions. The nine codes gave qualitatively the same results, implying that they are all performing reasonably well and are useful for scientific applications. We show that the best performing codes employ a consistently high order of accuracy for spatial reconstruction of the evolved fields, transverse gradient interpolation, conservation law update step, and Lorentz force computation. The best results are achieved with divergence-free evolution of the

  7. Numerical methods for aerothermodynamic design of hypersonic space transport vehicles

    NASA Astrophysics Data System (ADS)

    Wanie, K. M.; Brenneis, A.; Eberle, A.; Heiss, S.

    1993-04-01

    The requirement of the design process of hypersonic vehicles to predict flow past entire configurations with wings, fins, flaps, and propulsion system represents one of the major challenges for aerothermodynamics. In this context computational fluid dynamics has come up as a powerful tool to support the experimental work. A couple of numerical methods developed at MBB designed to fulfill the needs of the design process are described. The governing equations and fundamental details of the solution methods are shortly reviewed. Results are given for both geometrically simple test cases and realistic hypersonic configurations. Since there is still a considerable lack of experience for hypersonic flow calculations an extensive testing and verification is essential. This verification is done by comparison of results with experimental data and other numerical methods. The results presented prove that the methods used are robust, flexible, and accurate enough to fulfill the strong needs of the design process.

  8. A general numerical method to solve for dislocation configurations

    NASA Astrophysics Data System (ADS)

    Xin, X. J.; Wagoner, R. H.; Daehn, G. S.

    1999-08-01

    The shape of a mechanically equilibrated dislocation line is of considerable interest in the study of plastic deformation of metals and alloys. A general numerical method for finding such configurations in arbitrary stress fields has been developed. Analogous to the finite-element method (FEM), a general dislocation line is approximated by a series of straight segments (elements) bounded by nodes. The equilibrium configuration is found by minimizing the system energy with respect to nodal positions using a Newton-Raphson procedure. This approach, termed the finite-segment method (FSM), confers several advantages relative to segment-based, explicit formulations. The utility, generality, and robustness of the FSM is demonstrated by analyzing the Orowan bypass mechanism and a model of dislocation generation and equilibration at misfitting particles. Energy differences from previous analytical methods based on simple loop shapes are significant, up to 80 pct. Explicit expressions for the coordinate transformations, energies, and forces required for numerical implementation are presented.

  9. Computationally efficient method to construct scar functions

    NASA Astrophysics Data System (ADS)

    Revuelta, F.; Vergini, E. G.; Benito, R. M.; Borondo, F.

    2012-02-01

    The performance of a simple method [E. L. Sibert III, E. Vergini, R. M. Benito, and F. Borondo, New J. Phys.NJOPFM1367-263010.1088/1367-2630/10/5/053016 10, 053016 (2008)] to efficiently compute scar functions along unstable periodic orbits with complicated trajectories in configuration space is discussed, using a classically chaotic two-dimensional quartic oscillator as an illustration.

  10. A novel numerical method for radiation exchange in granular medium

    NASA Astrophysics Data System (ADS)

    Dayal, Ram; Gambaryan-Roisman, Tatiana

    2016-11-01

    A very simple numerical method is developed to determine the inter-particle radiation heat transfer in a granular powder bed. The method is completely independent of coordinate system and does not require any domain discretization. The solution procedure does not involve any matrix inversion, thus making it suitable candidate for radiation heat transfer problems involving large number of interacting surfaces, especially granular powder beds.

  11. Advanced numerical methods for three dimensional two-phase flow calculations

    SciTech Connect

    Toumi, I.; Caruge, D.

    1997-07-01

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

  12. Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions

    SciTech Connect

    Havu, V. Blum, V.; Havu, P.; Scheffler, M.

    2009-12-01

    We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.

  13. Comparison of Two Numerical Methods for Computing Fractal Dimensions

    NASA Astrophysics Data System (ADS)

    Shiozawa, Yui; Miller, Bruce; Rouet, Jean-Louis

    2012-10-01

    From cosmology to economics, the examples of fractals can be found virtually everywhere. However, since few fractals permit the analytical evaluation of generalized fractal dimensions or R'enyi dimensions, the search for effective numerical methods is inevitable. In this project two promising numerical methods for obtaining generalized fractal dimensions, based on the distribution of distances within a set, are examined. They can be applied, in principle, to any set even if no closed-form expression is available. The biggest advantage of these methods is their ability to generate a spectrum of generalized dimensions almost simultaneously. It should be noted that this feature is essential to the analysis of multifractals. As a test of their effectiveness, here the methods were applied to the generalized Cantor set and the multiplicative binomial process. The generalized dimensions of both sets can be readily derived analytically, thus enabling the accuracy of the numerical methods to be verified. Here we will present a comparison of the analytical results and the predictions of the methods. We will show that, while they are effective, care must be taken in their interpretation.

  14. Singularity Preserving Numerical Methods for Boundary Integral Equations

    NASA Technical Reports Server (NTRS)

    Kaneko, Hideaki (Principal Investigator)

    1996-01-01

    In the past twelve months (May 8, 1995 - May 8, 1996), under the cooperative agreement with Division of Multidisciplinary Optimization at NASA Langley, we have accomplished the following five projects: a note on the finite element method with singular basis functions; numerical quadrature for weakly singular integrals; superconvergence of degenerate kernel method; superconvergence of the iterated collocation method for Hammersteion equations; and singularity preserving Galerkin method for Hammerstein equations with logarithmic kernel. This final report consists of five papers describing these projects. Each project is preceeded by a brief abstract.

  15. Efficient orbit integration by orbital longitude methods

    NASA Astrophysics Data System (ADS)

    Fukushima, Toshio

    Recently we developed a new formulation of numerical integration of orbital motion named manifold correction methods. The main trick is to keep rigorously the consistency of some physical relations such as that of the orbital energy, of the orbital angular momentum, or of the Laplace integral of a binary subsystem. This maintenance is done by applying a sort of correction to the integrated variables at every integration step. Typical methods of correction are certain geometric transformation such as the spatial scaling and the spatial rotation, which are commonly used in the comparison of reference frames, or mathematically-reasonable operations such as the modularization of angle variables into the standard domain [-π, π). The finally-evolved form of the manifold correction methods is the orbital longitude methods, which enable us to conduct an extremely precise integration of orbital motions. In the unperturbed orbits, the integration errors are suppressed at the machine epsilon level for an infinitely long period. In the perturbed cases, on the other hand, the errors initially grow in proportion to the square root of time and then increase more rapidly, the onset time of which depends on the type and the magnitude of perturbations. This feature is also realized for highly eccentric orbits by applying the same idea to the KS-regularization. Expecially the introduction of time element greatly enhances the performance of numerical integration of KS-regularized orbits whether the scaling is applied or not.

  16. An iterative analytic—numerical method for scattering from a target buried beneath a rough surface

    NASA Astrophysics Data System (ADS)

    Xu, Run-Wen; Guo, Li-Xin; Wang, Rui

    2014-11-01

    An efficiently iterative analytical—numerical method is proposed for two-dimensional (2D) electromagnetic scattering from a perfectly electric conducting (PEC) target buried under a dielectric rough surface. The basic idea is to employ the Kirchhoff approximation (KA) to accelerate the boundary integral method (BIM). Below the rough surface, an iterative system is designed between the rough surface and the target. The KA is used to simulate the initial field on the rough surface based on the Fresnel theory, while the target is analyzed by the boundary integral method to obtain a precise result. The fields between the rough surface and the target can be linked by the boundary integral equations below the rough surface. The technique presented here is highly efficient in terms of computational memory, time, and versatility. Numerical simulations of two typical models are carried out to validate the method.

  17. Investigation of highly efficient satellite solution methods

    NASA Technical Reports Server (NTRS)

    Nacozy, P. E.; Scheifele, G.

    1974-01-01

    Methods for analyzing the stability of satellites are discussed. The subjects considered are: (1) time elements, (2) stabilization by external energy corrections, and (3) long term global solutions for the synchronous satellite. A set of canonical two-body elements referred to as Delaunay-similar elements is presented. In contrast to the classical Delaunay theory which has time as the independent variable, the D-S theory uses an independent variable which is a generalized true anomaly. The numerical integration of the canonical perturbation equations of these elements is developed.

  18. Numerical Polynomial Homotopy Continuation Method and String Vacua

    DOE PAGES

    Mehta, Dhagash

    2011-01-01

    Finding vmore » acua for the four-dimensional effective theories for supergravity which descend from flux compactifications and analyzing them according to their stability is one of the central problems in string phenomenology. Except for some simple toy models, it is, however, difficult to find all the vacua analytically. Recently developed algorithmic methods based on symbolic computer algebra can be of great help in the more realistic models. However, they suffer from serious algorithmic complexities and are limited to small system sizes. In this paper, we review a numerical method called the numerical polynomial homotopy continuation (NPHC) method, first used in the areas of lattice field theories, which by construction finds all of the vacua of a given potential that is known to have only isolated solutions. The NPHC method is known to suffer from no major algorithmic complexities and is embarrassingly parallelizable , and hence its applicability goes way beyond the existing symbolic methods. We first solve a simple toy model as a warm-up example to demonstrate the NPHC method at work. We then show that all the vacua of a more complicated model of a compactified M theory model, which has an S U ( 3 ) structure, can be obtained by using a desktop machine in just about an hour, a feat which was reported to be prohibitively difficult by the existing symbolic methods. Finally, we compare the various technicalities between the two methods.« less

  19. Numerical study of three-parameter matrix eigenvalue problem by Rayleigh quotient method

    NASA Astrophysics Data System (ADS)

    Bora, Niranjan; Baruah, Arun Kumar

    2016-06-01

    In this paper, an attempt is done to find approximate eigenvalues and the corresponding eigenvectors of three-parameter matrix eigenvalue problem by extending Rayleigh Quotient Iteration Method (RQIM), which is generally used to solve generalized eigenvalue problems of the form Ax = λBx. Convergence criteria of RQIM will be derived in terms of matrix 2-norm. We will test the computational efficiency of the Method analytically with the help of numerical examples. All calculations are done in MATLAB software.

  20. Numerical analysis of Weyl's method for integrating boundary layer equations

    NASA Technical Reports Server (NTRS)

    Najfeld, I.

    1982-01-01

    A fast method for accurate numerical integration of Blasius equation is proposed. It is based on the limit interchange in Weyl's fixed point method formulated as an iterated limit process. Each inner limit represents convergence to a discrete solution. It is shown that the error in a discrete solution admits asymptotic expansion in even powers of step size. An extrapolation process is set up to operate on a sequence of discrete solutions to reach the outer limit. Finally, this method is extended to related boundary layer equations.

  1. Projected discrete ordinates methods for numerical transport problems

    SciTech Connect

    Larsen, E.W.

    1985-01-01

    A class of Projected Discrete-Ordinates (PDO) methods is described for obtaining iterative solutions of discrete-ordinates problems with convergence rates comparable to those observed using Diffusion Synthetic Acceleration (DSA). The spatially discretized PDO solutions are generally not equal to the DSA solutions, but unlike DSA, which requires great care in the use of spatial discretizations to preserve stability, the PDO solutions remain stable and rapidly convergent with essentially arbitrary spatial discretizations. Numerical results are presented which illustrate the rapid convergence and the accuracy of solutions obtained using PDO methods with commonplace differencing methods.

  2. Comprehensive Numerical Analysis of Finite Difference Time Domain Methods for Improving Optical Waveguide Sensor Accuracy

    PubMed Central

    Samak, M. Mosleh E. Abu; Bakar, A. Ashrif A.; Kashif, Muhammad; Zan, Mohd Saiful Dzulkifly

    2016-01-01

    This paper discusses numerical analysis methods for different geometrical features that have limited interval values for typically used sensor wavelengths. Compared with existing Finite Difference Time Domain (FDTD) methods, the alternating direction implicit (ADI)-FDTD method reduces the number of sub-steps by a factor of two to three, which represents a 33% time savings in each single run. The local one-dimensional (LOD)-FDTD method has similar numerical equation properties, which should be calculated as in the previous method. Generally, a small number of arithmetic processes, which result in a shorter simulation time, are desired. The alternating direction implicit technique can be considered a significant step forward for improving the efficiency of unconditionally stable FDTD schemes. This comparative study shows that the local one-dimensional method had minimum relative error ranges of less than 40% for analytical frequencies above 42.85 GHz, and the same accuracy was generated by both methods.

  3. Fast and stable numerical method for neuronal modelling

    NASA Astrophysics Data System (ADS)

    Hashemi, Soheil; Abdolali, Ali

    2016-11-01

    Excitable cell modelling is of a prime interest in predicting and targeting neural activity. Two main limits in solving related equations are speed and stability of numerical method. Since there is a tradeoff between accuracy and speed, most previously presented methods for solving partial differential equations (PDE) are focused on one side. More speed means more accurate simulations and therefore better device designing. By considering the variables in finite differenced equation in proper time and calculating the unknowns in the specific sequence, a fast, stable and accurate method is introduced in this paper for solving neural partial differential equations. Propagation of action potential in giant axon is studied by proposed method and traditional methods. Speed, consistency and stability of the methods are compared and discussed. The proposed method is as fast as forward methods and as stable as backward methods. Forward methods are known as fastest methods and backward methods are stable in any circumstances. Complex structures can be simulated by proposed method due to speed and stability of the method.

  4. Numerical study of a multigrid method with four smoothing methods for the incompressible Navier-Stokes equations in general coordinates

    NASA Technical Reports Server (NTRS)

    Zeng, S.; Wesseling, P.

    1993-01-01

    The performance of a linear multigrid method using four smoothing methods, called SCGS (Symmetrical Coupled GauBeta-Seidel), CLGS (Collective Line GauBeta-Seidel), SILU (Scalar ILU), and CILU (Collective ILU), is investigated for the incompressible Navier-Stokes equations in general coordinates, in association with Galerkin coarse grid approximation. Robustness and efficiency are measured and compared by application to test problems. The numerical results show that CILU is the most robust, SILU the least, with CLGS and SCGS in between. CLGS is the best in efficiency, SCGS and CILU follow, and SILU is the worst.

  5. Numerical methods in vehicle system dynamics: state of the art and current developments

    NASA Astrophysics Data System (ADS)

    Arnold, M.; Burgermeister, B.; Führer, C.; Hippmann, G.; Rill, G.

    2011-07-01

    Robust and efficient numerical methods are an essential prerequisite for the computer-based dynamical analysis of engineering systems. In vehicle system dynamics, the methods and software tools from multibody system dynamics provide the integration platform for the analysis, simulation and optimisation of the complex dynamical behaviour of vehicles and vehicle components and their interaction with hydraulic components, electronical devices and control structures. Based on the principles of classical mechanics, the modelling of vehicles and their components results in nonlinear systems of ordinary differential equations (ODEs) or differential-algebraic equations (DAEs) of moderate dimension that describe the dynamical behaviour in the frequency range required and with a level of detail being characteristic of vehicle system dynamics. Most practical problems in this field may be transformed to generic problems of numerical mathematics like systems of nonlinear equations in the (quasi-)static analysis and explicit ODEs or DAEs with a typical semi-explicit structure in the dynamical analysis. This transformation to mathematical standard problems allows to use sophisticated, freely available numerical software that is based on well approved numerical methods like the Newton-Raphson iteration for nonlinear equations or Runge-Kutta and linear multistep methods for ODE/DAE time integration. Substantial speed-ups of these numerical standard methods may be achieved exploiting some specific structure of the mathematical models in vehicle system dynamics. In the present paper, we follow this framework and start with some modelling aspects being relevant from the numerical viewpoint. The focus of the paper is on numerical methods for static and dynamic problems, including software issues and a discussion which method fits best for which class of problems. Adaptive components in state-of-the-art numerical software like stepsize and order control in time integration are

  6. Numerical Method for Darcy Flow Derived Using Discrete Exterior Calculus

    NASA Astrophysics Data System (ADS)

    Hirani, A. N.; Nakshatrala, K. B.; Chaudhry, J. H.

    2015-05-01

    We derive a numerical method for Darcy flow, and also for Poisson's equation in mixed (first order) form, based on discrete exterior calculus (DEC). Exterior calculus is a generalization of vector calculus to smooth manifolds and DEC is one of its discretizations on simplicial complexes such as triangle and tetrahedral meshes. DEC is a coordinate invariant discretization, in that it does not depend on the embedding of the simplices or the whole mesh. We start by rewriting the governing equations of Darcy flow using the language of exterior calculus. This yields a formulation in terms of flux differential form and pressure. The numerical method is then derived by using the framework provided by DEC for discretizing differential forms and operators that act on forms. We also develop a discretization for a spatially dependent Hodge star that varies with the permeability of the medium. This also allows us to address discontinuous permeability. The matrix representation for our discrete non-homogeneous Hodge star is diagonal, with positive diagonal entries. The resulting linear system of equations for flux and pressure are saddle type, with a diagonal matrix as the top left block. The performance of the proposed numerical method is illustrated on many standard test problems. These include patch tests in two and three dimensions, comparison with analytically known solutions in two dimensions, layered medium with alternating permeability values, and a test with a change in permeability along the flow direction. We also show numerical evidence of convergence of the flux and the pressure. A convergence experiment is included for Darcy flow on a surface. A short introduction to the relevant parts of smooth and discrete exterior calculus is included in this article. We also include a discussion of the boundary condition in terms of exterior calculus.

  7. Integrated numerical methods for hypersonic aircraft cooling systems analysis

    NASA Technical Reports Server (NTRS)

    Petley, Dennis H.; Jones, Stuart C.; Dziedzic, William M.

    1992-01-01

    Numerical methods have been developed for the analysis of hypersonic aircraft cooling systems. A general purpose finite difference thermal analysis code is used to determine areas which must be cooled. Complex cooling networks of series and parallel flow can be analyzed using a finite difference computer program. Both internal fluid flow and heat transfer are analyzed, because increased heat flow causes a decrease in the flow of the coolant. The steady state solution is a successive point iterative method. The transient analysis uses implicit forward-backward differencing. Several examples of the use of the program in studies of hypersonic aircraft and rockets are provided.

  8. Numerical simulation of thermal discharge based on FVM method

    NASA Astrophysics Data System (ADS)

    Yu, Yunli; Wang, Deguan; Wang, Zhigang; Lai, Xijun

    2006-01-01

    A two-dimensional numerical model is proposed to simulate the thermal discharge from a power plant in Jiangsu Province. The equations in the model consist of two-dimensional non-steady shallow water equations and thermal waste transport equations. Finite volume method (FVM) is used to discretize the shallow water equations, and flux difference splitting (FDS) scheme is applied. The calculated area with the same temperature increment shows the effect of thermal discharge on sea water. A comparison between simulated results and the experimental data shows good agreement. It indicates that this method can give high precision in the heat transfer simulation in coastal areas.

  9. Teaching Thermal Hydraulics & Numerical Methods: An Introductory Control Volume Primer

    SciTech Connect

    Lucas, D.S.

    2004-10-03

    This paper covers the basics of the implementation of the control volume method in the context of the Homogeneous Equilibrium Model (HEM)(T/H) code using the conservation equations of mass, momentum, and energy. This primer uses the advection equation as a template. The discussion will cover the basic equations of the control volume portion of the course in the primer, which includes the advection equation, numerical methods, along with the implementation of the various equations via FORTRAN into computer programs and the final result for a three equation HEM code and its validation.

  10. Numerical integration of population models satisfying conservation laws: NSFD methods.

    PubMed

    Mickens, Ronald E

    2007-10-01

    Population models arising in ecology, epidemiology and mathematical biology may involve a conservation law, i.e. the total population is constant. In addition to these cases, other situations may occur for which the total population, asymptotically in time, approach a constant value. Since it is rarely the situation that the equations of motion can be analytically solved to obtain exact solutions, it follows that numerical techniques are needed to provide solutions. However, numerical procedures are only valid if they can reproduce fundamental properties of the differential equations modeling the phenomena of interest. We show that for population models, involving a dynamical conservation law the use of nonstandard finite difference (NSFD) methods allows the construction of discretization schemes such that they are dynamically consistent (DC) with the original differential equations. The paper will briefly discuss the NSFD methodology, the concept of DC, and illustrate their application to specific problems for population models.

  11. Solving the Bateman equations in CASMO5 using implicit ode numerical methods for stiff systems

    SciTech Connect

    Hykes, J. M.; Ferrer, R. M.

    2013-07-01

    The Bateman equations, which describe the transmutation of nuclides over time as a result of radioactive decay, absorption, and fission, are often numerically stiff. This is especially true if short-lived nuclides are included in the system. This paper describes the use of implicit numerical methods for o D Es applied to the stiff Bateman equations, specifically employing the Backward Differentiation Formulas (BDF) form of the linear multistep method. As is true in other domains, using an implicit method removes or lessens the (sometimes severe) step-length constraints by which explicit methods must abide. To gauge its accuracy and speed, the BDF method is compared to a variety of other solution methods, including Runge-Kutta explicit methods and matrix exponential methods such as the Chebyshev Rational Approximation Method (CRAM). A preliminary test case was chosen as representative of a PWR lattice depletion step and was solved with numerical libraries called from a Python front-end. The Figure of Merit (a combined measure of accuracy and efficiency) for the BDF method was nearly identical to that for CRAM, while explicit methods and other matrix exponential approximations trailed behind. The test case includes 319 nuclides, in which the shortest-lived nuclide is {sup 98}Nb with a half-life of 2.86 seconds. Finally, the BDF and CRAM methods were compared within CASMO5, where CRAM had a FOM about four times better than BDF, although the BDF implementation was not fully optimized. (authors)

  12. Assessment of the numerical efficiency of ocean circulation model : Hycom contribution to the COMODO project

    NASA Astrophysics Data System (ADS)

    Lathuilière, Cyril; Baraille, Rémy; Le Boyer, Arnaud

    2015-04-01

    The French navy hydrographic service uses a modified version of the Hybrid coordinate ocean model (HYCOM) for operational oceanographic applications. In the framework of the COMODO project, a series of test cases has been carried out to measure the numerical efficiency of the model. It addresses a wide panel of oceanic processes (baroclinic eddy, baroclinic jet, coastal upwelling, internal tides) and is useful to examine most of numerical schemes (advection schemes, time stepping, pressure gradient, …). The objectives of this study are first to assess the numerical performance of the present model to guide the modelers to make the suitable choices, and second to examine how the performances may be improved in the next years. We examine the sensitivity of the main choices for Hycom (2th or 4th order advection schemes, and viscosity values) in baroclinic eddy and baroclinic jet test cases. Both test cases are run using increasing resolution. The highest resolution provides a reference for studying the coarser resolutions. In the baroclinic vortex test case, the second order vector form scheme is well performing whereas the 4th order scheme appears to be more accurate in the baroclinic jet test case. This is probably due to the lack of fine scale energy in the baroclinic vortex test case allowing simulations with very tiny dissipation rates. We focus then on the sensitivity of the performance to vertical coordinate choices. The ability of Hycom to switch between isopycnal coordinate and quasi geopotential coordinate provides useful insights for example on the sensitivity of numerical diapycnal mixing to remapping scheme. This is particularly visible on the internal tide test case. The type of vertical coordinate is also important for potential vorticity structures. The shape of the baroclinic vortex is found to be different in geopotential and isopycnal coordinates. At coarse resolution, the potential vorticity structures seem to be better resolved in isopycnal

  13. An efficient method for inverse problems

    NASA Technical Reports Server (NTRS)

    Daripa, Prabir

    1987-01-01

    A new inverse method for aerodynamic design of subcritical airfoils is presented. The pressure distribution in this method can be prescribed in a natural way, i.e. as a function of arclength of the as yet unknown body. This inverse problem is shown to be mathematically equivalent to solving a single nonlinear boundary value problem subject to known Dirichlet data on the boundary. The solution to this problem determines the airfoil, the free stream Mach number M(sub x) and the upstream flow direction theta(sub x). The existence of a solution for any given pressure distribution is discussed. The method is easy to implement and extremely efficient. We present a series of results for which comparisons are made with the known airfoils.

  14. Numerous Numerals.

    ERIC Educational Resources Information Center

    Henle, James M.

    This pamphlet consists of 17 brief chapters, each containing a discussion of a numeration system and a set of problems on the use of that system. The numeration systems used include Egyptian fractions, ordinary continued fractions and variants of that method, and systems using positive and negative bases. The book is informal and addressed to…

  15. Numerical solution of optimal control problems using multiple-interval integral Gegenbauer pseudospectral methods

    NASA Astrophysics Data System (ADS)

    Tang, Xiaojun

    2016-04-01

    The main purpose of this work is to provide multiple-interval integral Gegenbauer pseudospectral methods for solving optimal control problems. The latest developed single-interval integral Gauss/(flipped Radau) pseudospectral methods can be viewed as special cases of the proposed methods. We present an exact and efficient approach to compute the mesh pseudospectral integration matrices for the Gegenbauer-Gauss and flipped Gegenbauer-Gauss-Radau points. Numerical results on benchmark optimal control problems confirm the ability of the proposed methods to obtain highly accurate solutions.

  16. A numerical method to study the dynamics of capillary fluid systems

    NASA Astrophysics Data System (ADS)

    Herrada, M. A.; Montanero, J. M.

    2016-02-01

    We propose a numerical approach to study both the nonlinear dynamics and linear stability of capillary fluid systems. In the nonlinear analysis, the time-dependent fluid region is mapped onto a fixed numerical domain through a coordinate transformation. The hydrodynamic equations are spatially discretized with the Chebyshev spectral collocation technique, while an implicit time advancement is performed using second-order backward finite differences. The resulting algebraic equations are solved with the iterative Newton-Raphson technique. The most novel aspect of the method is the fact that the elements of the Jacobian of the discretized system of equations are symbolic functions calculated before running the simulation. These functions are evaluated numerically in the Newton-Raphson iterations to find the solution at each time step, which reduces considerably the computing time. Besides, this numerical procedure can be easily adapted to solve the eigenvalue problem which determines the linear global modes of the capillary system. Therefore, both the nonlinear dynamics and the linear stability analysis can be conducted with essentially the same algorithm. We validate this numerical approach by studying the dynamics of a liquid bridge close to its minimum volume stability limit. The results are virtually the same as those obtained with other methods. The proposed approach proves to be much more computationally efficient than those other methods. Finally, we show the versatility of the method by calculating the linear global modes of a gravitational jet.

  17. Numerical Analysis of a Finite Element/Volume Penalty Method

    NASA Astrophysics Data System (ADS)

    Maury, Bertrand

    The penalty method makes it possible to incorporate a large class of constraints in general purpose Finite Element solvers like freeFEM++. We present here some contributions to the numerical analysis of this method. We propose an abstract framework for this approach, together with some general error estimates based on the discretization parameter ɛ and the space discretization parameter h. As this work is motivated by the possibility to handle constraints like rigid motion for fluid-particle flows, we shall pay a special attention to a model problem of this kind, where the constraint is prescribed over a subdomain. We show how the abstract estimate can be applied to this situation, in the case where a non-body-fitted mesh is used. In addition, we describe how this method provides an approximation of the Lagrange multiplier associated to the constraint.

  18. Numerical methods for high-dimensional probability density function equations

    NASA Astrophysics Data System (ADS)

    Cho, H.; Venturi, D.; Karniadakis, G. E.

    2016-01-01

    In this paper we address the problem of computing the numerical solution to kinetic partial differential equations involving many phase variables. These types of equations arise naturally in many different areas of mathematical physics, e.g., in particle systems (Liouville and Boltzmann equations), stochastic dynamical systems (Fokker-Planck and Dostupov-Pugachev equations), random wave theory (Malakhov-Saichev equations) and coarse-grained stochastic systems (Mori-Zwanzig equations). We propose three different classes of new algorithms addressing high-dimensionality: The first one is based on separated series expansions resulting in a sequence of low-dimensional problems that can be solved recursively and in parallel by using alternating direction methods. The second class of algorithms relies on truncation of interaction in low-orders that resembles the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) framework of kinetic gas theory and it yields a hierarchy of coupled probability density function equations. The third class of algorithms is based on high-dimensional model representations, e.g., the ANOVA method and probabilistic collocation methods. A common feature of all these approaches is that they are reducible to the problem of computing the solution to high-dimensional equations via a sequence of low-dimensional problems. The effectiveness of the new algorithms is demonstrated in numerical examples involving nonlinear stochastic dynamical systems and partial differential equations, with up to 120 variables.

  19. Calculation of free-fall trajectories using numerical optimization methods.

    NASA Technical Reports Server (NTRS)

    Hull, D. G.; Fowler, W. T.; Gottlieb, R. G.

    1972-01-01

    An important problem in space flight is the calculation of trajectories for nonthrusting vehicles between fixed points in a given time. A new procedure based on Hamilton's principle for solving such two-point boundary-value problems is presented. It employs numerical optimization methods to perform the extremization required by Hamilton's principle. This procedure is applied to the calculation of an Earth-Moon trajectory. The results show that the initial guesses required to obtain an iteration procedure which converges are not critical and that convergence can be obtained to any predetermined degree of accuracy.

  20. A high-efficiency aerothermoelastic analysis method

    NASA Astrophysics Data System (ADS)

    Wan, ZhiQiang; Wang, YaoKun; Liu, YunZhen; Yang, Chao

    2014-06-01

    In this paper, a high-efficiency aerothermoelastic analysis method based on unified hypersonic lifting surface theory is established. The method adopts a two-way coupling form that couples the structure, aerodynamic force, and aerodynamic thermo and heat conduction. The aerodynamic force is first calculated based on unified hypersonic lifting surface theory, and then the Eckert reference temperature method is used to solve the temperature field, where the transient heat conduction is solved using Fourier's law, and the modal method is used for the aeroelastic correction. Finally, flutter is analyzed based on the p-k method. The aerothermoelastic behavior of a typical hypersonic low-aspect ratio wing is then analyzed, and the results indicate the following: (1) the combined effects of the aerodynamic load and thermal load both deform the wing, which would increase if the flexibility, size, and flight time of the hypersonic aircraft increase; (2) the effect of heat accumulation should be noted, and therefore, the trajectory parameters should be considered in the design of hypersonic flight vehicles to avoid hazardous conditions, such as flutter.

  1. A fast numerical method for the valuation of American lookback put options

    NASA Astrophysics Data System (ADS)

    Song, Haiming; Zhang, Qi; Zhang, Ran

    2015-10-01

    A fast and efficient numerical method is proposed and analyzed for the valuation of American lookback options. American lookback option pricing problem is essentially a two-dimensional unbounded nonlinear parabolic problem. We reformulate it into a two-dimensional parabolic linear complementary problem (LCP) on an unbounded domain. The numeraire transformation and domain truncation technique are employed to convert the two-dimensional unbounded LCP into a one-dimensional bounded one. Furthermore, the variational inequality (VI) form corresponding to the one-dimensional bounded LCP is obtained skillfully by some discussions. The resulting bounded VI is discretized by a finite element method. Meanwhile, the stability of the semi-discrete solution and the symmetric positive definiteness of the full-discrete matrix are established for the bounded VI. The discretized VI related to options is solved by a projection and contraction method. Numerical experiments are conducted to test the performance of the proposed method.

  2. TRANSPORT OF REACTING SOLUTES SUBJECT TO A MOVING DISSOLUTION BOUNDARY: NUMERICAL METHODS AND SOLUTIONS.

    USGS Publications Warehouse

    Willis, Catherine; Rubin, Jacob

    1987-01-01

    In this paper we consider examples of chemistry-affected transport processes in porous media. A moving boundary problem which arises during transport with precipitation-dissolution reactions is solved by three different numerical methods. Two of these methods (one explicit and one implicit) are based on an integral formulation of mass balance and lead to an approximation of a weak solution. These methods are compared to a front-tracking scheme. Although the two approaches are conceptually different, the numerical solutions showed good agreement. As the ratio of dispersion to convection decreases, the methods based on the integral formulation become computationally more efficient. Specific reactions were modeled to examine the dependence of the system on the physical and chemical parameters.

  3. Flexible, reconfigurable, power efficient transmitter and method

    NASA Technical Reports Server (NTRS)

    Bishop, James W. (Inventor); Zaki, Nazrul H. Mohd (Inventor); Newman, David Childress (Inventor); Bundick, Steven N. (Inventor)

    2011-01-01

    A flexible, reconfigurable, power efficient transmitter device and method is provided. In one embodiment, the method includes receiving outbound data and determining a mode of operation. When operating in a first mode the method may include modulation mapping the outbound data according a modulation scheme to provide first modulation mapped digital data, converting the first modulation mapped digital data to an analog signal that comprises an intermediate frequency (IF) analog signal, upconverting the IF analog signal to produce a first modulated radio frequency (RF) signal based on a local oscillator signal, amplifying the first RF modulated signal to produce a first RF output signal, and outputting the first RF output signal via an isolator. In a second mode of operation method may include modulation mapping the outbound data according a modulation scheme to provide second modulation mapped digital data, converting the second modulation mapped digital data to a first digital baseband signal, conditioning the first digital baseband signal to provide a first analog baseband signal, modulating one or more carriers with the first analog baseband signal to produce a second modulated RF signal based on a local oscillator signal, amplifying the second RF modulated signal to produce a second RF output signal, and outputting the second RF output signal via the isolator. The digital baseband signal may comprise an in-phase (I) digital baseband signal and a quadrature (Q) baseband signal.

  4. A Collocation Method for Numerical Solutions of Coupled Burgers' Equations

    NASA Astrophysics Data System (ADS)

    Mittal, R. C.; Tripathi, A.

    2014-09-01

    In this paper, we propose a collocation-based numerical scheme to obtain approximate solutions of coupled Burgers' equations. The scheme employs collocation of modified cubic B-spline functions. We have used modified cubic B-spline functions for unknown dependent variables u, v, and their derivatives w.r.t. space variable x. Collocation forms of the partial differential equations result in systems of first-order ordinary differential equations (ODEs). In this scheme, we did not use any transformation or linearization method to handle nonlinearity. The obtained system of ODEs has been solved by strong stability preserving the Runge-Kutta method. The proposed scheme needs less storage space and execution time. The test problems considered in the literature have been discussed to demonstrate the strength and utility of the proposed scheme. The computed numerical solutions are in good agreement with the exact solutions and competent with those available in earlier studies. The scheme is simple as well as easy to implement. The scheme provides approximate solutions not only at the grid points, but also at any point in the solution range.

  5. Teaching Thermal Hydraulics & Numerical Methods: An Introductory Control Volume Primer

    SciTech Connect

    D. S. Lucas

    2004-10-01

    A graduate level course for Thermal Hydraulics (T/H) was taught through Idaho State University in the spring of 2004. A numerical approach was taken for the content of this course since the students were employed at the Idaho National Laboratory and had been users of T/H codes. The majority of the students had expressed an interest in learning about the Courant Limit, mass error, semi-implicit and implicit numerical integration schemes in the context of a computer code. Since no introductory text was found the author developed notes taught from his own research and courses taught for Westinghouse on the subject. The course started with a primer on control volume methods and the construction of a Homogeneous Equilibrium Model (HEM) (T/H) code. The primer was valuable for giving the students the basics behind such codes and their evolution to more complex codes for Thermal Hydraulics and Computational Fluid Dynamics (CFD). The course covered additional material including the Finite Element Method and non-equilibrium (T/H). The control volume primer and the construction of a three-equation (mass, momentum and energy) HEM code are the subject of this paper . The Fortran version of the code covered in this paper is elementary compared to its descendants. The steam tables used are less accurate than the available commercial version written in C Coupled to a Graphical User Interface (GUI). The Fortran version and input files can be downloaded at www.microfusionlab.com.

  6. Numerical solution of fractionally damped beam by homotopy perturbation method

    NASA Astrophysics Data System (ADS)

    Behera, Diptiranjan; Chakraverty, Snehashish

    2013-06-01

    This paper investigates the numerical solution of a viscoelastic continuous beam whose damping behaviours are defined in term of fractional derivatives of arbitrary order. The Homotopy Perturbation Method (HPM) is used to obtain the dynamic response. Unit step function response is considered for the analysis. The obtained results are depicted in various plots. From the results obtained it is interesting to note that by increasing the order of the fractional derivative the beam suffers less oscillation. Similar observations have also been made by keeping the order of the fractional derivative constant and varying the damping ratios. Comparisons are made with the analytic solutions obtained by Zu-feng and Xiao-yan [Appl. Math. Mech. 28, 219 (2007)] to show the effectiveness and validation of this method.

  7. Multigrid methods for numerical simulation of laminar diffusion flames

    NASA Technical Reports Server (NTRS)

    Liu, C.; Liu, Z.; Mccormick, S.

    1993-01-01

    This paper documents the result of a computational study of multigrid methods for numerical simulation of 2D diffusion flames. The focus is on a simplified combustion model, which is assumed to be a single step, infinitely fast and irreversible chemical reaction with five species (C3H8, O2, N2, CO2 and H2O). A fully-implicit second-order hybrid scheme is developed on a staggered grid, which is stretched in the streamwise coordinate direction. A full approximation multigrid scheme (FAS) based on line distributive relaxation is developed as a fast solver for the algebraic equations arising at each time step. Convergence of the process for the simplified model problem is more than two-orders of magnitude faster than other iterative methods, and the computational results show good grid convergence, with second-order accuracy, as well as qualitatively agreement with the results of other researchers.

  8. Numerical modeling of spray combustion with an advanced VOF method

    NASA Technical Reports Server (NTRS)

    Chen, Yen-Sen; Shang, Huan-Min; Shih, Ming-Hsin; Liaw, Paul

    1995-01-01

    This paper summarizes the technical development and validation of a multiphase computational fluid dynamics (CFD) numerical method using the volume-of-fluid (VOF) model and a Lagrangian tracking model which can be employed to analyze general multiphase flow problems with free surface mechanism. The gas-liquid interface mass, momentum and energy conservation relationships are modeled by continuum surface mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed flow regimes. The objectives of the present study are to develop and verify the fractional volume-of-fluid cell partitioning approach into a predictor-corrector algorithm and to demonstrate the effectiveness of the present approach by simulating benchmark problems including laminar impinging jets, shear coaxial jet atomization and shear coaxial spray combustion flows.

  9. Numerical performance of half-sweep SOR method for solving second order composite closed Newton-Cotes system

    NASA Astrophysics Data System (ADS)

    Muthuvalu, Mohana Sundaram; Aruchunan, Elayaraja; Akhir, Mohd Kamalrulzaman Md; Sulaiman, Jumat; Karim, Samsul Ariffin Abdul

    2014-10-01

    In this paper, application of the Half-Sweep Successive Over-Relaxation (HSSOR) iterative method is extended by solving second order composite closed Newton-Cotes quadrature (2-CCNC) system. The performance of HSSOR method in solving 2-CCNC system is comparatively studied by their application on linear Fredholm integral equations of the second kind. The derivation and implementation of the method are discussed. In addition, numerical results by solving two test problems are included and compared with the standard Gauss-Seidel (GS) and Successive Over-Relaxation (SOR) methods. Numerical results demonstrate that HSSOR method is an efficient method among the tested methods.

  10. Numerical Methods and Simulations of Complex Multiphase Flows

    NASA Astrophysics Data System (ADS)

    Brady, Peter

    Multiphase flows are an important part of many natural and technological phenomena such as ocean-air coupling (which is important for climate modeling) and the atomization of liquid fuel jets in combustion engines. The unique challenges of multiphase flow often make analytical solutions to the governing equations impossible and experimental investigations very difficult. Thus, high-fidelity numerical simulations can play a pivotal role in understanding these systems. This dissertation describes numerical methods developed for complex multiphase flows and the simulations performed using these methods. First, the issue of multiphase code verification is addressed. Code verification answers the question "Is this code solving the equations correctly?" The method of manufactured solutions (MMS) is a procedure for generating exact benchmark solutions which can test the most general capabilities of a code. The chief obstacle to applying MMS to multiphase flow lies in the discontinuous nature of the material properties at the interface. An extension of the MMS procedure to multiphase flow is presented, using an adaptive marching tetrahedron style algorithm to compute the source terms near the interface. Guidelines for the use of the MMS to help locate coding mistakes are also detailed. Three multiphase systems are then investigated: (1) the thermocapillary motion of three-dimensional and axisymmetric drops in a confined apparatus, (2) the flow of two immiscible fluids completely filling an enclosed cylinder and driven by the rotation of the bottom endwall, and (3) the atomization of a single drop subjected to a high shear turbulent flow. The systems are simulated numerically by solving the full multiphase Navier-Stokes equations coupled to the various equations of state and a level set interface tracking scheme based on the refined level set grid method. The codes have been parallelized using MPI in order to take advantage of today's very large parallel computational

  11. Numerical methods for assessment of the ship's pollutant emissions

    NASA Astrophysics Data System (ADS)

    Jenaru, A.; Acomi, N.

    2016-08-01

    The maritime transportation sector constitutes a source of atmospheric pollution. To avoid or minimize ships pollutant emissions the first step is to assess them. Two methods of estimation of the ships’ emissions are proposed in this paper. These methods prove their utility for shipboard and shore based management personnel from the practical perspective. The methods were demonstrated for a product tanker vessel where a permanent monitoring system for the pollutant emissions has previously been fitted. The values of the polluting agents from the exhaust gas were determined for the ship from the shipyard delivery and were used as starting point. Based on these values, the paper aimed at numerical assessing of ship's emissions in order to determine the ways for avoiding environmental pollution: the analytical method of determining the concentrations of the exhaust gas components, by using computation program MathCAD, and the graphical method of determining the concentrations of the exhaust gas components, using variation diagrams of the parameters, where the results of the on board measurements were introduced, following the application of pertinent correction factors. The results should be regarded as a supporting tool during the decision making process linked to the reduction of ship's pollutant emissions.

  12. Asymmetric MRI magnet design using a hybrid numerical method.

    PubMed

    Zhao, H; Crozier, S; Doddrell, D M

    1999-12-01

    This paper describes a hybrid numerical method for the design of asymmetric magnetic resonance imaging magnet systems. The problem is formulated as a field synthesis and the desired current density on the surface of a cylinder is first calculated by solving a Fredholm equation of the first kind. Nonlinear optimization methods are then invoked to fit practical magnet coils to the desired current density. The field calculations are performed using a semi-analytical method. A new type of asymmetric magnet is proposed in this work. The asymmetric MRI magnet allows the diameter spherical imaging volume to be positioned close to one end of the magnet. The main advantages of making the magnet asymmetric include the potential to reduce the perception of claustrophobia for the patient, better access to the patient by attending physicians, and the potential for reduced peripheral nerve stimulation due to the gradient coil configuration. The results highlight that the method can be used to obtain an asymmetric MRI magnet structure and a very homogeneous magnetic field over the central imaging volume in clinical systems of approximately 1.2 m in length. Unshielded designs are the focus of this work. This method is flexible and may be applied to magnets of other geometries.

  13. Time-Space Decoupled Explicit Method for Fast Numerical Simulation of Tsunami Propagation

    NASA Astrophysics Data System (ADS)

    Guo, Anxin; Xiao, Shengchao; Li, Hui

    2015-02-01

    This study presents a novel explicit numerical scheme for simulating tsunami propagation using the exact solution of the wave equations. The objective of this study is to develop a fast and stable numerical scheme by decoupling the wave equation in both the time and space domains. First, the finite difference scheme of the shallow-water equations for tsunami simulation are briefly introduced. The time-space decoupled explicit method based on the exact solution of the wave equation is given for the simulation of tsunami propagation without including frequency dispersive effects. Then, to consider wave dispersion, the second-order accurate numerical scheme to solve the shallow-water equations, which mimics the physical frequency dispersion with numerical dispersion, is derived. Lastly, the computation efficiency and the accuracy of the two types of numerical schemes are investigated by the 2004 Indonesia tsunami and the solution of the Boussinesq equation for a tsunami with Gaussian hump over both uniform and varying water depths. The simulation results indicate that the proposed numerical scheme can achieve a fast and stable tsunami propagation simulation while maintaining computation accuracy.

  14. An unconditionally stable method for numerically solving solar sail spacecraft equations of motion

    NASA Astrophysics Data System (ADS)

    Karwas, Alex

    Solar sails use the endless supply of the Sun's radiation to propel spacecraft through space. The sails use the momentum transfer from the impinging solar radiation to provide thrust to the spacecraft while expending zero fuel. Recently, the first solar sail spacecraft, or sailcraft, named IKAROS completed a successful mission to Venus and proved the concept of solar sail propulsion. Sailcraft experimental data is difficult to gather due to the large expenses of space travel, therefore, a reliable and accurate computational method is needed to make the process more efficient. Presented in this document is a new approach to simulating solar sail spacecraft trajectories. The new method provides unconditionally stable numerical solutions for trajectory propagation and includes an improved physical description over other methods. The unconditional stability of the new method means that a unique numerical solution is always determined. The improved physical description of the trajectory provides a numerical solution and time derivatives that are continuous throughout the entire trajectory. The error of the continuous numerical solution is also known for the entire trajectory. Optimal control for maximizing thrust is also provided within the framework of the new method. Verification of the new approach is presented through a mathematical description and through numerical simulations. The mathematical description provides details of the sailcraft equations of motion, the numerical method used to solve the equations, and the formulation for implementing the equations of motion into the numerical solver. Previous work in the field is summarized to show that the new approach can act as a replacement to previous trajectory propagation methods. A code was developed to perform the simulations and it is also described in this document. Results of the simulations are compared to the flight data from the IKAROS mission. Comparison of the two sets of data show that the new approach

  15. Efficient sensitivity analysis method for chaotic dynamical systems

    NASA Astrophysics Data System (ADS)

    Liao, Haitao

    2016-05-01

    The direct differentiation and improved least squares shadowing methods are both developed for accurately and efficiently calculating the sensitivity coefficients of time averaged quantities for chaotic dynamical systems. The key idea is to recast the time averaged integration term in the form of differential equation before applying the sensitivity analysis method. An additional constraint-based equation which forms the augmented equations of motion is proposed to calculate the time averaged integration variable and the sensitivity coefficients are obtained as a result of solving the augmented differential equations. The application of the least squares shadowing formulation to the augmented equations results in an explicit expression for the sensitivity coefficient which is dependent on the final state of the Lagrange multipliers. The LU factorization technique to calculate the Lagrange multipliers leads to a better performance for the convergence problem and the computational expense. Numerical experiments on a set of problems selected from the literature are presented to illustrate the developed methods. The numerical results demonstrate the correctness and effectiveness of the present approaches and some short impulsive sensitivity coefficients are observed by using the direct differentiation sensitivity analysis method.

  16. Efficient numerical modelling of the emittance evolution of beams with finite energy spread in plasma wakefield accelerators

    NASA Astrophysics Data System (ADS)

    Mehrling, T. J.; Robson, R. E.; Erbe, J.-H.; Osterhoff, J.

    2016-09-01

    This paper introduces a semi-analytic numerical approach (SANA) for the rapid computation of the transverse emittance of beams with finite energy spread in plasma wakefield accelerators in the blowout regime. The SANA method is used to model the beam emittance evolution when injected into and extracted from realistic plasma profiles. Results are compared to particle-in-cell simulations, establishing the accuracy and efficiency of the procedure. In addition, it is demonstrated that the tapering of vacuum-to-plasma and plasma-to-vacuum transitions is a viable method for the mitigation of emittance growth of beams during their injection and extraction from and into plasma cells.

  17. A method for improving time-stepping numerics

    NASA Astrophysics Data System (ADS)

    Williams, P. D.

    2012-04-01

    In contemporary numerical simulations of the atmosphere, evidence suggests that time-stepping errors may be a significant component of total model error, on both weather and climate time-scales. This presentation will review the available evidence, and will then suggest a simple but effective method for substantially improving the time-stepping numerics at no extra computational expense. The most common time-stepping method is the leapfrog scheme combined with the Robert-Asselin (RA) filter. This method is used in the following atmospheric models (and many more): ECHAM, MAECHAM, MM5, CAM, MESO-NH, HIRLAM, KMCM, LIMA, SPEEDY, IGCM, PUMA, COSMO, FSU-GSM, FSU-NRSM, NCEP-GFS, NCEP-RSM, NSEAM, NOGAPS, RAMS, and CCSR/NIES-AGCM. Although the RA filter controls the time-splitting instability in these models, it also introduces non-physical damping and reduces the accuracy. This presentation proposes a simple modification to the RA filter. The modification has become known as the RAW filter (Williams 2011). When used in conjunction with the leapfrog scheme, the RAW filter eliminates the non-physical damping and increases the amplitude accuracy by two orders, yielding third-order accuracy. (The phase accuracy remains second-order.) The RAW filter can easily be incorporated into existing models, typically via the insertion of just a single line of code. Better simulations are obtained at no extra computational expense. Results will be shown from recent implementations of the RAW filter in various atmospheric models, including SPEEDY and COSMO. For example, in SPEEDY, the skill of weather forecasts is found to be significantly improved. In particular, in tropical surface pressure predictions, five-day forecasts made using the RAW filter have approximately the same skill as four-day forecasts made using the RA filter (Amezcua, Kalnay & Williams 2011). These improvements are encouraging for the use of the RAW filter in other models.

  18. Efficient Fully Implicit Time Integration Methods for Modeling Cardiac Dynamics

    PubMed Central

    Rose, Donald J.; Henriquez, Craig S.

    2013-01-01

    Implicit methods are well known to have greater stability than explicit methods for stiff systems, but they often are not used in practice due to perceived computational complexity. This paper applies the Backward Euler method and a second-order one-step two-stage composite backward differentiation formula (C-BDF2) for the monodomain equations arising from mathematically modeling the electrical activity of the heart. The C-BDF2 scheme is an L-stable implicit time integration method and easily implementable. It uses the simplest Forward Euler and Backward Euler methods as fundamental building blocks. The nonlinear system resulting from application of the Backward Euler method for the monodomain equations is solved for the first time by a nonlinear elimination method, which eliminates local and non-symmetric components by using a Jacobian-free Newton solver, called Newton-Krylov solver. Unlike other fully implicit methods proposed for the monodomain equations in the literature, the Jacobian of the global system after the nonlinear elimination has much smaller size, is symmetric and possibly positive definite, which can be solved efficiently by standard optimal solvers. Numerical results are presented demonstrating that the C-BDF2 scheme can yield accurate results with less CPU times than explicit methods for both a single patch and spatially extended domains. PMID:19126449

  19. Unsaturated Shear Strength and Numerical Analysis Methods for Unsaturated Soils

    NASA Astrophysics Data System (ADS)

    Kim, D.; Kim, G.; Kim, D.; Baek, H.; Kang, S.

    2011-12-01

    The angles of shearing resistance(φb) and internal friction(φ') appear to be identical in low suction range, but the angle of shearing resistance shows non-linearity as suction increases. In most numerical analysis however, a fixed value for the angle of shearing resistance is applied even in low suction range for practical reasons, often leading to a false conclusion. In this study, a numerical analysis has been undertaken employing the estimated shear strength curve of unsaturated soils from the residual water content of SWCC proposed by Vanapalli et al.(1996). The result was also compared with that from a fixed value of φb. It is suggested that, in case it is difficult to measure the unsaturated shear strength curve through the triaxial soil tests, the estimated shear strength curve using the residual water content can be a useful alternative. This result was applied for analyzing the slope stablity of unsaturated soils. The effects of a continuous rainfall on slope stability were analyzed using a commercial program "SLOPE/W", with the coupled infiltration analysis program "SEEP/W" from the GEO-SLOPE International Ltd. The results show that, prior to the infiltration by the intensive rainfall, the safety factors using the estimated shear strength curve were substantially higher than that from the fixed value of φb at all time points. After the intensive infiltration, both methods showed a similar behavior.

  20. Comparison of numerical methods for 2D crystals under anisotropic surface free energy and through evolution

    NASA Astrophysics Data System (ADS)

    Lolla, Madhuri Udayanjani

    In this dissertation first, we compute the equilibrium shapes of 2D crystals under anisotropic surface free energies. An equilibrium shape minimizes the total surface free energy. The governing equation in polar coordinates is a nonlinear ordinary differential equation. Two numerical methods, finite difference and the finite element are used and compared. We investigate the accuracy, order of convergence and efficiency of the two methods in computing the equilibrium shapes. Secondly, we consider the surface of the crystal evolving under surface diffusion and compute the final shape in the evolution which is the equilibrium shape. The surface diffusion equation in polar coordinates is a time-dependent nonlinear 4th order partial differential equation. Again we apply the two methods finite difference and finite element. The results are observed at different stages of evolution of the crystal for the isotropy case. Then we compare the accuracy, order of convergence and efficiency of the two methods.

  1. Estimation of region of attraction for polynomial nonlinear systems: a numerical method.

    PubMed

    Khodadadi, Larissa; Samadi, Behzad; Khaloozadeh, Hamid

    2014-01-01

    This paper introduces a numerical method to estimate the region of attraction for polynomial nonlinear systems using sum of squares programming. This method computes a local Lyapunov function and an invariant set around a locally asymptotically stable equilibrium point. The invariant set is an estimation of the region of attraction for the equilibrium point. In order to enlarge the estimation, a subset of the invariant set defined by a shape factor is enlarged by solving a sum of squares optimization problem. In this paper, a new algorithm is proposed to select the shape factor based on the linearized dynamic model of the system. The shape factor is updated in each iteration using the computed local Lyapunov function from the previous iteration. The efficiency of the proposed method is shown by a few numerical examples.

  2. Space-time adaptive numerical methods for geophysical applications.

    PubMed

    Castro, C E; Käser, M; Toro, E F

    2009-11-28

    In this paper we present high-order formulations of the finite volume and discontinuous Galerkin finite-element methods for wave propagation problems with a space-time adaptation technique using unstructured meshes in order to reduce computational cost without reducing accuracy. Both methods can be derived in a similar mathematical framework and are identical in their first-order version. In their extension to higher order accuracy in space and time, both methods use spatial polynomials of higher degree inside each element, a high-order solution of the generalized Riemann problem and a high-order time integration method based on the Taylor series expansion. The static adaptation strategy uses locally refined high-resolution meshes in areas with low wave speeds to improve the approximation quality. Furthermore, the time step length is chosen locally adaptive such that the solution is evolved explicitly in time by an optimal time step determined by a local stability criterion. After validating the numerical approach, both schemes are applied to geophysical wave propagation problems such as tsunami waves and seismic waves comparing the new approach with the classical global time-stepping technique. The problem of mesh partitioning for large-scale applications on multi-processor architectures is discussed and a new mesh partition approach is proposed and tested to further reduce computational cost. PMID:19840984

  3. Efficient Numerical Reconstruction of Protein Folding Kinetics with Partial Path Sampling and Pathlike Variables

    NASA Astrophysics Data System (ADS)

    Juraszek, J.; Saladino, G.; van Erp, T. S.; Gervasio, F. L.

    2013-03-01

    Numerically predicting rate constants of protein folding and other relevant biological events is still a significant challenge. We show that the combination of partial path transition interface sampling with the optimal interfaces and free-energy profiles provided by path collective variables makes the rate calculation for practical biological applications feasible and efficient. This methodology can reproduce the experimental rate constant of Trp-cage miniprotein folding with the same level of accuracy as transition path sampling at a fraction of the cost.

  4. A mathematical model and numerical method for thermoelectric DNA sequencing

    NASA Astrophysics Data System (ADS)

    Shi, Liwei; Guilbeau, Eric J.; Nestorova, Gergana; Dai, Weizhong

    2014-05-01

    Single nucleotide polymorphisms (SNPs) are single base pair variations within the genome that are important indicators of genetic predisposition towards specific diseases. This study explores the feasibility of SNP detection using a thermoelectric sequencing method that measures the heat released when DNA polymerase inserts a deoxyribonucleoside triphosphate into a DNA strand. We propose a three-dimensional mathematical model that governs the DNA sequencing device with a reaction zone that contains DNA template/primer complex immobilized to the surface of the lower channel wall. The model is then solved numerically. Concentrations of reactants and the temperature distribution are obtained. Results indicate that when the nucleoside is complementary to the next base in the DNA template, polymerization occurs lengthening the complementary polymer and releasing thermal energy with a measurable temperature change, implying that the thermoelectric conceptual device for sequencing DNA may be feasible for identifying specific genes in individuals.

  5. Numerical optimization method for packing regular convex polygons

    NASA Astrophysics Data System (ADS)

    Galiev, Sh. I.; Lisafina, M. S.

    2016-08-01

    An algorithm is presented for the approximate solution of the problem of packing regular convex polygons in a given closed bounded domain G so as to maximize the total area of the packed figures. On G a grid is constructed whose nodes generate a finite set W on G, and the centers of the figures to be packed can be placed only at some points of W. The problem of packing these figures with centers in W is reduced to a 0-1 linear programming problem. A two-stage algorithm for solving the resulting problems is proposed. The algorithm finds packings of the indicated figures in an arbitrary closed bounded domain on the plane. Numerical results are presented that demonstrate the effectiveness of the method.

  6. Advanced Numerical Methods and Software Approaches for Semiconductor Device Simulation

    DOE PAGES

    Carey, Graham F.; Pardhanani, A. L.; Bova, S. W.

    2000-01-01

    In this article we concisely present several modern strategies that are applicable to driftdominated carrier transport in higher-order deterministic models such as the driftdiffusion, hydrodynamic, and quantum hydrodynamic systems. The approaches include extensions of “upwind” and artificial dissipation schemes, generalization of the traditional Scharfetter – Gummel approach, Petrov – Galerkin and streamline-upwind Petrov Galerkin (SUPG), “entropy” variables, transformations, least-squares mixed methods and other stabilized Galerkin schemes such as Galerkin least squares and discontinuous Galerkin schemes. The treatment is representative rather than an exhaustive review and several schemes are mentioned only briefly with appropriate reference to the literature. Some of themore » methods have been applied to the semiconductor device problem while others are still in the early stages of development for this class of applications. We have included numerical examples from our recent research tests with some of the methods. A second aspect of the work deals with algorithms that employ unstructured grids in conjunction with adaptive refinement strategies. The full benefits of such approaches have not yet been developed in this application area and we emphasize the need for further work on analysis, data structures and software to support adaptivity. Finally, we briefly consider some aspects of software frameworks. These include dial-an-operator approaches such as that used in the industrial simulator PROPHET, and object-oriented software support such as those in the SANDIA National Laboratory framework SIERRA.« less

  7. a Numerical Method for Stability Analysis of Pinned Flexible Mechanisms

    NASA Astrophysics Data System (ADS)

    Beale, D. G.; Lee, S. W.

    1996-05-01

    A technique is presented to investigate the stability of mechanisms with pin-jointed flexible members. The method relies on a special floating frame from which elastic link co-ordinates are defined. Energies are easily developed for use in a Lagrange equation formulation, leading to a set of non-linear and mixed ordinary differential-algebraic equations of motion with constraints. Stability and bifurcation analysis is handled using a numerical procedure (generalized co-ordinate partitioning) that avoids the tedious and difficult task of analytically reducing the system of equations to a number equalling the system degrees of freedom. The proposed method was then applied to (1) a slider-crank mechanism with a flexible connecting rod and crank of constant rotational speed, and (2) a four-bar linkage with a flexible coupler with a constant speed crank. In both cases, a single pinned-pinned beam bending mode is employed to develop resonance curves and stability boundaries in the crank length-crank speed parameter plane. Flip and fold bifurcations are common occurrences in both mechanisms. The accuracy of the proposed method was also verified by comparison with previous experimental results [1].

  8. Introduction to finite-difference methods for numerical fluid dynamics

    SciTech Connect

    Scannapieco, E.; Harlow, F.H.

    1995-09-01

    This work is intended to be a beginner`s exercise book for the study of basic finite-difference techniques in computational fluid dynamics. It is written for a student level ranging from high-school senior to university senior. Equations are derived from basic principles using algebra. Some discussion of partial-differential equations is included, but knowledge of calculus is not essential. The student is expected, however, to have some familiarity with the FORTRAN computer language, as the syntax of the computer codes themselves is not discussed. Topics examined in this work include: one-dimensional heat flow, one-dimensional compressible fluid flow, two-dimensional compressible fluid flow, and two-dimensional incompressible fluid flow with additions of the equations of heat flow and the {Kappa}-{epsilon} model for turbulence transport. Emphasis is placed on numerical instabilities and methods by which they can be avoided, techniques that can be used to evaluate the accuracy of finite-difference approximations, and the writing of the finite-difference codes themselves. Concepts introduced in this work include: flux and conservation, implicit and explicit methods, Lagrangian and Eulerian methods, shocks and rarefactions, donor-cell and cell-centered advective fluxes, compressible and incompressible fluids, the Boussinesq approximation for heat flow, Cartesian tensor notation, the Boussinesq approximation for the Reynolds stress tensor, and the modeling of transport equations. A glossary is provided which defines these and other terms.

  9. Advanced numerical methods and software approaches for semiconductor device simulation

    SciTech Connect

    CAREY,GRAHAM F.; PARDHANANI,A.L.; BOVA,STEVEN W.

    2000-03-23

    In this article the authors concisely present several modern strategies that are applicable to drift-dominated carrier transport in higher-order deterministic models such as the drift-diffusion, hydrodynamic, and quantum hydrodynamic systems. The approaches include extensions of upwind and artificial dissipation schemes, generalization of the traditional Scharfetter-Gummel approach, Petrov-Galerkin and streamline-upwind Petrov Galerkin (SUPG), entropy variables, transformations, least-squares mixed methods and other stabilized Galerkin schemes such as Galerkin least squares and discontinuous Galerkin schemes. The treatment is representative rather than an exhaustive review and several schemes are mentioned only briefly with appropriate reference to the literature. Some of the methods have been applied to the semiconductor device problem while others are still in the early stages of development for this class of applications. They have included numerical examples from the recent research tests with some of the methods. A second aspect of the work deals with algorithms that employ unstructured grids in conjunction with adaptive refinement strategies. The full benefits of such approaches have not yet been developed in this application area and they emphasize the need for further work on analysis, data structures and software to support adaptivity. Finally, they briefly consider some aspects of software frameworks. These include dial-an-operator approaches such as that used in the industrial simulator PROPHET, and object-oriented software support such as those in the SANDIA National Laboratory framework SIERRA.

  10. A method for data handling numerical results in parallel OpenFOAM simulations

    SciTech Connect

    Anton, Alin; Muntean, Sebastian

    2015-12-31

    Parallel computational fluid dynamics simulations produce vast amount of numerical result data. This paper introduces a method for reducing the size of the data by replaying the interprocessor traffic. The results are recovered only in certain regions of interest configured by the user. A known test case is used for several mesh partitioning scenarios using the OpenFOAM toolkit{sup ®}[1]. The space savings obtained with classic algorithms remain constant for more than 60 Gb of floating point data. Our method is most efficient on large simulation meshes and is much better suited for compressing large scale simulation results than the regular algorithms.

  11. Hybrid numerical method with adaptive overlapping meshes for solving nonstationary problems in continuum mechanics

    NASA Astrophysics Data System (ADS)

    Burago, N. G.; Nikitin, I. S.; Yakushev, V. L.

    2016-06-01

    Techniques that improve the accuracy of numerical solutions and reduce their computational costs are discussed as applied to continuum mechanics problems with complex time-varying geometry. The approach combines shock-capturing computations with the following methods: (1) overlapping meshes for specifying complex geometry; (2) elastic arbitrarily moving adaptive meshes for minimizing the approximation errors near shock waves, boundary layers, contact discontinuities, and moving boundaries; (3) matrix-free implementation of efficient iterative and explicit-implicit finite element schemes; (4) balancing viscosity (version of the stabilized Petrov-Galerkin method); (5) exponential adjustment of physical viscosity coefficients; and (6) stepwise correction of solutions for providing their monotonicity and conservativeness.

  12. Numerical Improvement of The Three-dimensional Boundary Element Method

    NASA Astrophysics Data System (ADS)

    Ortiz-Aleman, C.; Gil-Zepeda, A.; Sánchez-Sesma, F. J.; Luzon-Martinez, F.

    2001-12-01

    Boundary element methods have been applied to calculate the seismic response of various types of geological structures. Dimensionality reduction and a relatively easy fulfillment of radiation conditions at infinity are recognized advantages over domain approaches. Indirect Boundary Element Method (IBEM) formulations give rise to large systems of equations, and the considerable amount of operations required for solving them suggest the possibility of getting some benefit from exploitation of sparsity patterns. In this article, a brief study on the structure of the linear systems derived from the IBEM method is carried out. Applicability of a matrix static condensation algorithm to the inversion of the IBEM coefficient matrix is explored, in order to optimize the numerical burden of such method. Seismic response of a 3-D alluvial valley of irregular shape, as originally proposed by Sánchez-Sesma and Luzon (1995), was computed and comparisons on time consumption and memory allocation are established. An alternative way to deal with those linear systems is the use of threshold criteria for the truncation of the coefficient matrix, which implies the solution of sparse approximations instead of the original full IBEM systems (Ortiz-Aleman et al., 1998). Performance of this optimized approach is evaluated on its application to the case of a three-dimensional alluvial basin with irregular shape. Transfer functions were calculated for the frequency range from 0 to 1.25 Hz. Inversion of linear systems by using this algorithm lead to significant saving on computer time and memory allocation relative to the original IBEM formulation. Results represent an extension in the range of application of the IBEM method.

  13. Efficient Numerical Modeling of Slow-Slip and Quasi-Dynamic Earthquake Ruptures

    NASA Astrophysics Data System (ADS)

    Bradley, A. M.; Segall, P.

    2010-12-01

    the nonlinear equations. For efficiency, we group fault cells by physical properties, perform only one sparse LU factorization per group, and efficiently update the LU factorization at each solve, yielding a method that is linear in the number of diffusion profile nodes. We parallelize the nonlinear solves to work on a shared-memory system using OpenMP. We approximate the elasticity matrix relating slip and stress by a hierarchical low-rank representation to speed up matrix-vector products. This presentation will describe our software and numerical methods, and simulation results that highlight our software's capabilities.

  14. A fast numerical solution of scattering by a cylinder: Spectral method for the boundary integral equations

    NASA Technical Reports Server (NTRS)

    Hu, Fang Q.

    1994-01-01

    It is known that the exact analytic solutions of wave scattering by a circular cylinder, when they exist, are not in a closed form but in infinite series which converges slowly for high frequency waves. In this paper, we present a fast number solution for the scattering problem in which the boundary integral equations, reformulated from the Helmholtz equation, are solved using a Fourier spectral method. It is shown that the special geometry considered here allows the implementation of the spectral method to be simple and very efficient. The present method differs from previous approaches in that the singularities of the integral kernels are removed and dealt with accurately. The proposed method preserves the spectral accuracy and is shown to have an exponential rate of convergence. Aspects of efficient implementation using FFT are discussed. Moreover, the boundary integral equations of combined single and double-layer representation are used in the present paper. This ensures the uniqueness of the numerical solution for the scattering problem at all frequencies. Although a strongly singular kernel is encountered for the Neumann boundary conditions, we show that the hypersingularity can be handled easily in the spectral method. Numerical examples that demonstrate the validity of the method are also presented.

  15. A new nonlocal thermodynamical equilibrium radiative transfer method for cool stars. Method and numerical implementation

    NASA Astrophysics Data System (ADS)

    Lambert, J.; Josselin, E.; Ryde, N.; Faure, A.

    2015-08-01

    Context. The solution of the nonlocal thermodynamical equilibrium (non-LTE) radiative transfer equation usually relies on stationary iterative methods, which may falsely converge in some cases. Furthermore, these methods are often unable to handle large-scale systems, such as molecular spectra emerging from, for example, cool stellar atmospheres. Aims: Our objective is to develop a new method, which aims to circumvent these problems, using nonstationary numerical techniques and taking advantage of parallel computers. Methods: The technique we develop may be seen as a generalization of the coupled escape probability method. It solves the statistical equilibrium equations in all layers of a discretized model simultaneously. The numerical scheme adopted is based on the generalized minimum residual method. Results: The code has already been applied to the special case of the water spectrum in a red supergiant stellar atmosphere. This demonstrates the fast convergence of this method, and opens the way to a wide variety of astrophysical problems.

  16. Left Ventricular Flow Analysis: Recent Advances in Numerical Methods and Applications in Cardiac Ultrasound

    PubMed Central

    Borazjani, Iman; Westerdale, John; McMahon, Eileen M.; Rajaraman, Prathish K.; Heys, Jeffrey J.

    2013-01-01

    The left ventricle (LV) pumps oxygenated blood from the lungs to the rest of the body through systemic circulation. The efficiency of such a pumping function is dependent on blood flow within the LV chamber. It is therefore crucial to accurately characterize LV hemodynamics. Improved understanding of LV hemodynamics is expected to provide important clinical diagnostic and prognostic information. We review the recent advances in numerical and experimental methods for characterizing LV flows and focus on analysis of intraventricular flow fields by echocardiographic particle image velocimetry (echo-PIV), due to its potential for broad and practical utility. Future research directions to advance patient-specific LV simulations include development of methods capable of resolving heart valves, higher temporal resolution, automated generation of three-dimensional (3D) geometry, and incorporating actual flow measurements into the numerical solution of the 3D cardiovascular fluid dynamics. PMID:23690874

  17. Numerical Methods for Forward and Inverse Problems in Discontinuous Media

    SciTech Connect

    Chartier, Timothy P.

    2011-03-08

    The research emphasis under this grant's funding is in the area of algebraic multigrid methods. The research has two main branches: 1) exploring interdisciplinary applications in which algebraic multigrid can make an impact and 2) extending the scope of algebraic multigrid methods with algorithmic improvements that are based in strong analysis.The work in interdisciplinary applications falls primarily in the field of biomedical imaging. Work under this grant demonstrated the effectiveness and robustness of multigrid for solving linear systems that result from highly heterogeneous finite element method models of the human head. The results in this work also give promise to medical advances possible with software that may be developed. Research to extend the scope of algebraic multigrid has been focused in several areas. In collaboration with researchers at the University of Colorado, Lawrence Livermore National Laboratory, and Los Alamos National Laboratory, the PI developed an adaptive multigrid with subcycling via complementary grids. This method has very cheap computing costs per iterate and is showing promise as a preconditioner for conjugate gradient. Recent work with Los Alamos National Laboratory concentrates on developing algorithms that take advantage of the recent advances in adaptive multigrid research. The results of the various efforts in this research could ultimately have direct use and impact to researchers for a wide variety of applications, including, astrophysics, neuroscience, contaminant transport in porous media, bi-domain heart modeling, modeling of tumor growth, and flow in heterogeneous porous media. This work has already led to basic advances in computational mathematics and numerical linear algebra and will continue to do so into the future.

  18. Numerical methods for determining interstitial oxygen in silicon

    SciTech Connect

    Stevenson, J.O.; Medernach, J.W.

    1995-01-01

    The interstitial oxygen (O{sub i}) concentration in Czochralski silicon and the subsequent SiO{sub x} precipitation are important parameters for integrated circuit fabrication. Uncontrolled SiO{sub x} precipitation during processing can create detrimental mechanical and electrical effects that contribute to poor performance. An inability to consistently and accurately measure the initial O{sub i} concentration in heavily doped silicon has led to contradictory results regarding the effects of dopant type and concentration on SiO{sub x} precipitation. The authors have developed a software package for reliably determining and comparing O{sub i} in heavily doped silicon. The SiFTIR{copyright} code implements three independent oxygen analysis methods in a single integrated package. Routine oxygen measurements are desirable over a wide range of silicon resistivities, but there has been confusion concerning which of the three numerical methods is most suitable for the low resistivity portion of the continuum. A major strength of the software is an ability to rapidly produce results for all three methods using only a single Fourier Transform Infrared Spectroscopy (FTIR) spectrum as input. This ability to perform three analyses on a single data set allows a detailed comparison of the three methods across the entire range of resistivities in question. Integrated circuit manufacturers could use the enabling technology provided by SiFTIR{copyright} to monitor O{sub i} content. Early detection of O{sub i} using this diagnostic could be beneficial in controlling SiO{sub x} precipitation during integrated circuit processing.

  19. A new numerical method for calculating extrema of received power for polarimetric SAR

    USGS Publications Warehouse

    Zhang, Y.; Zhang, Jiahua; Lu, Zhiming; Gong, W.

    2009-01-01

    A numerical method called cross-step iteration is proposed to calculate the maximal/minimal received power for polarized imagery based on a target's Kennaugh matrix. This method is much more efficient than the systematic method, which searches for the extrema of received power by varying the polarization ellipse angles of receiving and transmitting polarizations. It is also more advantageous than the Schuler method, which has been adopted by the PolSARPro package, because the cross-step iteration method requires less computation time and can derive both the maximal and minimal received powers, whereas the Schuler method is designed to work out only the maximal received power. The analytical model of received-power optimization indicates that the first eigenvalue of the Kennaugh matrix is the supremum of the maximal received power. The difference between these two parameters reflects the depolarization effect of the target's backscattering, which might be useful for target discrimination. ?? 2009 IEEE.

  20. Simplified method for numerical modeling of fiber lasers.

    PubMed

    Shtyrina, O V; Yarutkina, I A; Fedoruk, M P

    2014-12-29

    A simplified numerical approach to modeling of dissipative dispersion-managed fiber lasers is examined. We present a new numerical iteration algorithm for finding the periodic solutions of the system of nonlinear ordinary differential equations describing the intra-cavity dynamics of the dissipative soliton characteristics in dispersion-managed fiber lasers. We demonstrate that results obtained using simplified model are in good agreement with full numerical modeling based on the corresponding partial differential equations.

  1. A numerically efficient damping model for acoustic resonances in microfluidic cavities

    SciTech Connect

    Hahn, P. Dual, J.

    2015-06-15

    Bulk acoustic wave devices are typically operated in a resonant state to achieve enhanced acoustic amplitudes and high acoustofluidic forces for the manipulation of microparticles. Among other loss mechanisms related to the structural parts of acoustofluidic devices, damping in the fluidic cavity is a crucial factor that limits the attainable acoustic amplitudes. In the analytical part of this study, we quantify all relevant loss mechanisms related to the fluid inside acoustofluidic micro-devices. Subsequently, a numerical analysis of the time-harmonic visco-acoustic and thermo-visco-acoustic equations is carried out to verify the analytical results for 2D and 3D examples. The damping results are fitted into the framework of classical linear acoustics to set up a numerically efficient device model. For this purpose, all damping effects are combined into an acoustofluidic loss factor. Since some components of the acoustofluidic loss factor depend on the acoustic mode shape in the fluid cavity, we propose a two-step simulation procedure. In the first step, the loss factors are deduced from the simulated mode shape. Subsequently, a second simulation is invoked, taking all losses into account. Owing to its computational efficiency, the presented numerical device model is of great relevance for the simulation of acoustofluidic particle manipulation by means of acoustic radiation forces or acoustic streaming. For the first time, accurate 3D simulations of realistic micro-devices for the quantitative prediction of pressure amplitudes and the related acoustofluidic forces become feasible.

  2. AN ACCURATE AND EFFICIENT ALGORITHM FOR NUMERICAL SIMULATION OF CONDUCTION-TYPE PROBLEMS. (R824801)

    EPA Science Inventory

    Abstract

    A modification of the finite analytic numerical method for conduction-type (diffusion) problems is presented. The finite analytic discretization scheme is derived by means of the Fourier series expansion for the most general case of nonuniform grid and variabl...

  3. BOOK REVIEW: Advanced Topics in Computational Partial Differential Equations: Numerical Methods and Diffpack Programming

    NASA Astrophysics Data System (ADS)

    Katsaounis, T. D.

    2005-02-01

    equations in Diffpack can be used to derive fully implicit solvers for systems. The proposed techniques are illustrated in terms of two applications, namely a system of PDEs modelling pipeflow and a two-phase porous media flow. Stochastic PDEs is the topic of chapter 7. The first part of the chapter is a simple introduction to stochastic PDEs; basic analytical properties are presented for simple models like transport phenomena and viscous drag forces. The second part considers the numerical solution of stochastic PDEs. Two basic techniques are presented, namely Monte Carlo and perturbation methods. The last part explains how to implement and incorporate these solvers into Diffpack. Chapter 8 describes how to operate Diffpack from Python scripts. The main goal here is to provide all the programming and technical details in order to glue the programming environment of Diffpack with visualization packages through Python and in general take advantage of the Python interfaces. Chapter 9 attempts to show how to use numerical experiments to measure the performance of various PDE solvers. The authors gathered a rather impressive list, a total of 14 PDE solvers. Solvers for problems like Poisson, Navier--Stokes, elasticity, two-phase flows and methods such as finite difference, finite element, multigrid, and gradient type methods are presented. The authors provide a series of numerical results combining various solvers with various methods in order to gain insight into their computational performance and efficiency. In Chapter 10 the authors consider a computationally challenging problem, namely the computation of the electrical activity of the human heart. After a brief introduction on the biology of the problem the authors present the mathematical models involved and a numerical method for solving them within the framework of Diffpack. Chapter 11 and 12 are closely related; actually they could have been combined in a single chapter. Chapter 11 introduces several mathematical

  4. Numerical Weather Predictions Evaluation Using Spatial Verification Methods

    NASA Astrophysics Data System (ADS)

    Tegoulias, I.; Pytharoulis, I.; Kotsopoulos, S.; Kartsios, S.; Bampzelis, D.; Karacostas, T.

    2014-12-01

    During the last years high-resolution numerical weather prediction simulations have been used to examine meteorological events with increased convective activity. Traditional verification methods do not provide the desired level of information to evaluate those high-resolution simulations. To assess those limitations new spatial verification methods have been proposed. In the present study an attempt is made to estimate the ability of the WRF model (WRF -ARW ver3.5.1) to reproduce selected days with high convective activity during the year 2010 using those feature-based verification methods. Three model domains, covering Europe, the Mediterranean Sea and northern Africa (d01), the wider area of Greece (d02) and central Greece - Thessaly region (d03) are used at horizontal grid-spacings of 15km, 5km and 1km respectively. By alternating microphysics (Ferrier, WSM6, Goddard), boundary layer (YSU, MYJ) and cumulus convection (Kain-­-Fritsch, BMJ) schemes, a set of twelve model setups is obtained. The results of those simulations are evaluated against data obtained using a C-Band (5cm) radar located at the centre of the innermost domain. Spatial characteristics are well captured but with a variable time lag between simulation results and radar data. Acknowledgements: This research is co­financed by the European Union (European Regional Development Fund) and Greek national funds, through the action "COOPERATION 2011: Partnerships of Production and Research Institutions in Focused Research and Technology Sectors" (contract number 11SYN_8_1088 - DAPHNE) in the framework of the operational programme "Competitiveness and Entrepreneurship" and Regions in Transition (OPC II, NSRF 2007-­-2013).

  5. An efficient method for solving the steady Euler equations

    NASA Technical Reports Server (NTRS)

    Liou, M.-S.

    1986-01-01

    An efficient numerical procedure for solving a set of nonlinear partial differential equations, the steady Euler equations, using Newton's linearization procedure is presented. A theorem indicating quadratic convergence for the case of differential equations is demonstrated. A condition for the domain of quadratic convergence Omega(2) is obtained which indicates that whether an approximation lies in Omega(2) depends on the rate of change and the smoothness of the flow vectors, and hence is problem-dependent. The choice of spatial differencing, of particular importance for the present method, is discussed. The treatment of boundary conditions is addressed, and the system of equations resulting from the foregoing analysis is summarized and solution strategies are discussed. The convergence of calculated solutions is demonstrated by comparing them with exact solutions to one and two-dimensional problems.

  6. Transforming Mean and Osculating Elements Using Numerical Methods

    NASA Technical Reports Server (NTRS)

    Ely, Todd A.

    2010-01-01

    Mean element propagation of perturbed two body orbits has as its mathematical basis averaging theory of nonlinear dynamical systems. Averaged mean elements define the long-term evolution characteristics of an orbit. Using averaging theory, a near identity transformation can be found that transforms the mean elements back to the osculating elements that contain short period terms in addition to the secular and long period mean elements. The ability to perform the conversion is necessary so that orbit design conducted in mean elements can be converted back into osculating results. In the present work, this near identity transformation is found using the Fast Fourier Transform. An efficient method is found that is capable of recovering the osculating elements to first order

  7. Numerical methods for portfolio selection with bounded constraints

    NASA Astrophysics Data System (ADS)

    Yin, G.; Jin, Hanqing; Jin, Zhuo

    2009-11-01

    This work develops an approximation procedure for portfolio selection with bounded constraints. Based on the Markov chain approximation techniques, numerical procedures are constructed for the utility optimization task. Under simple conditions, the convergence of the approximation sequences to the wealth process and the optimal utility function is established. Numerical examples are provided to illustrate the performance of the algorithms.

  8. Trigonometrically fitted two step hybrid method for the numerical integration of second order IVPs

    NASA Astrophysics Data System (ADS)

    Monovasilis, Th.; Kalogiratou, Z.; Simos, T. E.

    2016-06-01

    In this work we consider the numerical integration of second order ODEs where the first derivative is missing. We construct trigonometrically fitted two step hybrid methods. We apply the new methods on the numerical integration of several test problems.

  9. Full Wave Simulation of Integrated Circuits Using Hybrid Numerical Methods

    NASA Astrophysics Data System (ADS)

    Tan, Jilin

    Transmission lines play an important role in digital electronics, and in microwave and millimeter-wave circuits. Analysis, modeling, and design of transmission lines are critical to the development of the circuitry in the chip, subsystem, and system levels. In the past several decays, at the EM modeling level, the quasi-static approximation has been widely used due to its great simplicity. As the clock rates increase, the inter-connect effects such as signal delay, distortion, dispersion, reflection, and crosstalk, limit the performance of microwave systems. Meanwhile, the quasi-static approach loses its validity for some complex system structures. Since the successful system design of the PCB, MCM, and the chip packaging, rely very much on the computer aided EM level modeling and simulation, many new methods have been developed, such as the full wave approach, to guarantee the successful design. Many difficulties exist in the rigorous EM level analysis. Some of these include the difficulties in describing the behavior of the conductors with finite thickness and finite conductivity, the field singularity, and the arbitrary multilayered multi-transmission lines structures. This dissertation concentrates on the full wave study of the multi-conductor transmission lines with finite conductivity and finite thickness buried in an arbitrary lossy multilayered environment. Two general approaches have been developed. The first one is the integral equation method in which the dyadic Green's function for arbitrary layered media has been correctly formulated and has been tested both analytically and numerically. By applying this method, the double layered high dielectric permitivitty problem and the heavy dielectrical lossy problem in multilayered media in the CMOS circuit design have been solved. The second approach is the edge element method. In this study, the correct functional for the two dimensional propagation problem has been successfully constructed in a rigorous way

  10. On the efficient and reliable numerical solution of rate-and-state friction problems

    NASA Astrophysics Data System (ADS)

    Pipping, Elias; Kornhuber, Ralf; Rosenau, Matthias; Oncken, Onno

    2016-03-01

    We present a mathematically consistent numerical algorithm for the simulation of earthquake rupture with rate-and-state friction. Its main features are adaptive time stepping, a novel algebraic solution algorithm involving nonlinear multigrid and a fixed point iteration for the rate-and-state decoupling. The algorithm is applied to a laboratory scale subduction zone which allows us to compare our simulations with experimental results. Using physical parameters from the experiment, we find a good fit of recurrence time of slip events as well as their rupture width and peak slip. Computations in 3-D confirm efficiency and robustness of our algorithm.

  11. Active Problem Solving and Applied Research Methods in a Graduate Course on Numerical Methods

    ERIC Educational Resources Information Center

    Maase, Eric L.; High, Karen A.

    2008-01-01

    "Chemical Engineering Modeling" is a first-semester graduate course traditionally taught in a lecture format at Oklahoma State University. The course as taught by the author for the past seven years focuses on numerical and mathematical methods as necessary skills for incoming graduate students. Recent changes to the course have included Visual…

  12. Numerical Simulations of Pillar Structured Solid State Thermal Neutron Detector Efficiency and Gamma Discrimination

    SciTech Connect

    Conway, A; Wang, T; Deo, N; Cheung, C; Nikolic, R

    2008-06-24

    This work reports numerical simulations of a novel three-dimensionally integrated, {sup 10}boron ({sup 10}B) and silicon p+, intrinsic, n+ (PIN) diode micropillar array for thermal neutron detection. The inter-digitated device structure has a high probability of interaction between the Si PIN pillars and the charged particles (alpha and {sup 7}Li) created from the neutron - {sup 10}B reaction. In this work, the effect of both the 3-D geometry (including pillar diameter, separation and height) and energy loss mechanisms are investigated via simulations to predict the neutron detection efficiency and gamma discrimination of this structure. The simulation results are demonstrated to compare well with the measurement results. This indicates that upon scaling the pillar height, a high efficiency thermal neutron detector is possible.

  13. NUMERICAL METHODS FOR THE SIMULATION OF HIGH INTENSITY HADRON SYNCHROTRONS.

    SciTech Connect

    LUCCIO, A.; D'IMPERIO, N.; MALITSKY, N.

    2005-09-12

    Numerical algorithms for PIC simulation of beam dynamics in a high intensity synchrotron on a parallel computer are presented. We introduce numerical solvers of the Laplace-Poisson equation in the presence of walls, and algorithms to compute tunes and twiss functions in the presence of space charge forces. The working code for the simulation here presented is SIMBAD, that can be run as stand alone or as part of the UAL (Unified Accelerator Libraries) package.

  14. Numerical solution of differential algebraic equations (DAEs) by mix-multistep method

    NASA Astrophysics Data System (ADS)

    Rahim, Yong Faezah; Suleiman, Mohamed; Ibrahim, Zarina Bibi

    2014-06-01

    Differential Algebraic Equations (DAEs) are regarded as stiff Ordinary Differential Equations (ODEs). Therefore they are solved using implicit method such as Backward Differentiation Formula (BDF) type of methods which require the use of Newton iteration which need much computational effort. However, not all of the ODEs in DAE system are stiff. In this paper, we describe a new technique for solving DAE, where the ODEs are treated as non-stiff at the start of the integration and putting the non-stiff ODEs into stiff subsystem should instability occurs. Adams type of method is used to solve the non-stiff part and BDF method for solving the stiff part. This strategy is shown to be competitive in terms of computational effort and accuracy. Numerical experiments are presented to validate its efficiency.

  15. A comparison of numerical methods for the prediction of two-dimensional heat transfer in an electrothermal deicer pad. M.S. Thesis. Final Contractor Report

    NASA Technical Reports Server (NTRS)

    Wright, William B.

    1988-01-01

    Transient, numerical simulations of the deicing of composite aircraft components by electrothermal heating have been performed in a 2-D rectangular geometry. Seven numerical schemes and four solution methods were used to find the most efficient numerical procedure for this problem. The phase change in the ice was simulated using the Enthalpy method along with the Method for Assumed States. Numerical solutions illustrating deicer performance for various conditions are presented. Comparisons are made with previous numerical models and with experimental data. The simulation can also be used to solve a variety of other heat conduction problems involving composite bodies.

  16. Strategies for efficient numerical implementation of hybrid multi-scale agent-based models to describe biological systems

    PubMed Central

    Cilfone, Nicholas A.; Kirschner, Denise E.; Linderman, Jennifer J.

    2015-01-01

    Biologically related processes operate across multiple spatiotemporal scales. For computational modeling methodologies to mimic this biological complexity, individual scale models must be linked in ways that allow for dynamic exchange of information across scales. A powerful methodology is to combine a discrete modeling approach, agent-based models (ABMs), with continuum models to form hybrid models. Hybrid multi-scale ABMs have been used to simulate emergent responses of biological systems. Here, we review two aspects of hybrid multi-scale ABMs: linking individual scale models and efficiently solving the resulting model. We discuss the computational choices associated with aspects of linking individual scale models while simultaneously maintaining model tractability. We demonstrate implementations of existing numerical methods in the context of hybrid multi-scale ABMs. Using an example model describing Mycobacterium tuberculosis infection, we show relative computational speeds of various combinations of numerical methods. Efficient linking and solution of hybrid multi-scale ABMs is key to model portability, modularity, and their use in understanding biological phenomena at a systems level. PMID:26366228

  17. Numerical Research of Steam and Gas Plant Efficiency of Triple Cycle for Extreme North Regions

    NASA Astrophysics Data System (ADS)

    Galashov, Nikolay; Tsibulskii, Svjatoslav; Matveev, Aleksandr; Masjuk, Vladimir

    2016-02-01

    The present work shows that temperature decrease of heat rejection in a cycle is necessary for energy efficiency of steam turbine plants. Minimum temperature of heat rejection at steam turbine plant work on water steam is 15°C. Steam turbine plant of triple cycle where lower cycle of steam turbine plant is organic Rankine cycle on low-boiling substance with heat rejection in air condenser, which safely allows rejecting heat at condensation temperatures below 0°C, has been offered. Mathematical model of steam and gas plant of triple cycle, which allows conducting complex researches with change of working body appearance and parameters defining thermodynamic efficiency of cycles, has been developed. On the basis of the model a program of parameters and index cycles design of steam and gas plants has been developed in a package of electron tables Excel. Numerical studies of models showed that energy efficiency of steam turbine plants of triple cycle strongly depend on low-boiling substance type in a lower cycle. Energy efficiency of steam and gas plants net 60% higher can be received for steam and gas plants on the basis of gas turbine plant NK-36ST on pentane and its condensation temperature below 0°C. It was stated that energy efficiency of steam and gas plants net linearly depends on condensation temperature of low-boiling substance type and temperature of gases leaving reco very boiler. Energy efficiency increases by 1% at 10% decrease of condensation temperature of pentane, and it increases by 0.88% at 15°C temperature decrease of gases leaving recovery boiler.

  18. The correlation between wake transition and propulsive efficiency of a flapping foil: A numerical study

    NASA Astrophysics Data System (ADS)

    Deng, Jian; Sun, Liping; Teng, Lubao; Pan, Dingyi; Shao, Xueming

    2016-09-01

    We study numerically the propulsive wakes produced by a flapping foil. Both pure pitching and pure heaving motions are considered, respectively, at a fixed Reynolds number of Re = 1700. As the major innovation of this paper, we find an interesting coincidence that the efficiency maximum agrees well with the 2D-3D transition boundary, by plotting the contours of propulsive efficiency in the frequency-amplitude parametric space and comparing to the transition boundaries. Although there is a lack of direct 3D simulations, it is reasonable to conjecture that the propulsive efficiency increases with Strouhal number until the wake transits from a 2D state to a 3D state. By comparing between the pure pitching motion and the pure heaving motion, we find that the 2D-3D transition occurs earlier for the pure heaving foil than that of the pure pitching foil. Consequently, the efficiency for the pure heaving foil peaks more closely to the wake deflection boundary than that of the pure pitching foil. Furthermore, since we have drawn the maps on the same parametric space with the same Reynolds number, it is possible to make a direct comparison in the propulsive efficiency between a pure pitching foil and a pure heaving foil. We note that the maximum efficiency for a pure pitching foil is 15.6%, and that of a pure heaving foil is 17%, indicating that the pure heaving foil has a slightly better propulsive performance than that of the pure pitching foil for the currently studied Reynolds number.

  19. Numerical methods in thermal problems. Volume 3 - Proceedings of the Third International Conference, Seattle, WA, August 2-5, 1983

    NASA Astrophysics Data System (ADS)

    Lewis, R. W.; Johnson, J. A.; Smith, W. R.

    Aspects of heat conduction are discussed, taking into account the numerical solution of steady periodic problems in heat conduction, partially discontinuous boundary elements for heat conduction, the numerical solution of heat conduction in a nonhomogeneous infinite domain by coupling the finite difference method and the boundary element method, and a method for efficiently incorporating radiative boundaries in finite element programs. Other subjects explored are related to phase change, heat and mass transfer in porous bodies, thermal and drying stresses, mathematical and computational techniques, free and forced convection, coupled conduction and convection, turbulent heat transfer, fire and combustion simulation, nuclear waste disposal, solar energy, and industrial and scientific applications. Attention is given to the dynamics of heat exchangers, temperature fields of burnt-up nuclear fuel elements in dry-storage containers, a numerical analysis of solar convective dryers, and a numerical solution by digital computer of optimum thermochemical parameters for the rocket thrust chamber.

  20. Numerical methods on some structured matrix algebra problems

    SciTech Connect

    Jessup, E.R.

    1996-06-01

    This proposal concerned the design, analysis, and implementation of serial and parallel algorithms for certain structured matrix algebra problems. It emphasized large order problems and so focused on methods that can be implemented efficiently on distributed-memory MIMD multiprocessors. Such machines supply the computing power and extensive memory demanded by the large order problems. We proposed to examine three classes of matrix algebra problems: the symmetric and nonsymmetric eigenvalue problems (especially the tridiagonal cases) and the solution of linear systems with specially structured coefficient matrices. As all of these are of practical interest, a major goal of this work was to translate our research in linear algebra into useful tools for use by the computational scientists interested in these and related applications. Thus, in addition to software specific to the linear algebra problems, we proposed to produce a programming paradigm and library to aid in the design and implementation of programs for distributed-memory MIMD computers. We now report on our progress on each of the problems and on the programming tools.

  1. SAMSAN- MODERN NUMERICAL METHODS FOR CLASSICAL SAMPLED SYSTEM ANALYSIS

    NASA Technical Reports Server (NTRS)

    Frisch, H. P.

    1994-01-01

    SAMSAN was developed to aid the control system analyst by providing a self consistent set of computer algorithms that support large order control system design and evaluation studies, with an emphasis placed on sampled system analysis. Control system analysts have access to a vast array of published algorithms to solve an equally large spectrum of controls related computational problems. The analyst usually spends considerable time and effort bringing these published algorithms to an integrated operational status and often finds them less general than desired. SAMSAN reduces the burden on the analyst by providing a set of algorithms that have been well tested and documented, and that can be readily integrated for solving control system problems. Algorithm selection for SAMSAN has been biased toward numerical accuracy for large order systems with computational speed and portability being considered important but not paramount. In addition to containing relevant subroutines from EISPAK for eigen-analysis and from LINPAK for the solution of linear systems and related problems, SAMSAN contains the following not so generally available capabilities: 1) Reduction of a real non-symmetric matrix to block diagonal form via a real similarity transformation matrix which is well conditioned with respect to inversion, 2) Solution of the generalized eigenvalue problem with balancing and grading, 3) Computation of all zeros of the determinant of a matrix of polynomials, 4) Matrix exponentiation and the evaluation of integrals involving the matrix exponential, with option to first block diagonalize, 5) Root locus and frequency response for single variable transfer functions in the S, Z, and W domains, 6) Several methods of computing zeros for linear systems, and 7) The ability to generate documentation "on demand". All matrix operations in the SAMSAN algorithms assume non-symmetric matrices with real double precision elements. There is no fixed size limit on any matrix in any

  2. An efficient method for solving the steady Euler equations

    NASA Technical Reports Server (NTRS)

    Liou, M. S.

    1986-01-01

    An efficient numerical procedure for solving a set of nonlinear partial differential equations is given, specifically for the steady Euler equations. Solutions of the equations were obtained by Newton's linearization procedure, commonly used to solve the roots of nonlinear algebraic equations. In application of the same procedure for solving a set of differential equations we give a theorem showing that a quadratic convergence rate can be achieved. While the domain of quadratic convergence depends on the problems studied and is unknown a priori, we show that firstand second-order derivatives of flux vectors determine whether the condition for quadratic convergence is satisfied. The first derivatives enter as an implicit operator for yielding new iterates and the second derivatives indicates smoothness of the flows considered. Consequently flows involving shocks are expected to require larger number of iterations. First-order upwind discretization in conjunction with the Steger-Warming flux-vector splitting is employed on the implicit operator and a diagonal dominant matrix results. However the explicit operator is represented by first- and seond-order upwind differencings, using both Steger-Warming's and van Leer's splittings. We discuss treatment of boundary conditions and solution procedures for solving the resulting block matrix system. With a set of test problems for one- and two-dimensional flows, we show detailed study as to the efficiency, accuracy, and convergence of the present method.

  3. Power Measurement Methods for Energy Efficient Applications

    PubMed Central

    Calandrini, Guilherme; Gardel, Alfredo; Bravo, Ignacio; Revenga, Pedro; Lázaro, José L.; Toledo-Moreo, F. Javier

    2013-01-01

    Energy consumption constraints on computing systems are more important than ever. Maintenance costs for high performance systems are limiting the applicability of processing devices with large dissipation power. New solutions are needed to increase both the computation capability and the power efficiency. Moreover, energy efficient applications should balance performance vs. consumption. Therefore power data of components are important. This work presents the most remarkable alternatives to measure the power consumption of different types of computing systems, describing the advantages and limitations of available power measurement systems. Finally, a methodology is proposed to select the right power consumption measurement system taking into account precision of the measure, scalability and controllability of the acquisition system. PMID:23778191

  4. Energy efficiency assessment methods and tools evaluation

    SciTech Connect

    McMordie, K.L.; Richman, E.E.; Keller, J.M.; Dixon, D.R.

    1994-08-01

    Many different methods of assessing the energy savings potential at federal installations, and identifying attractive projects for capital investment have been used by the different federal agencies. These methods range from high-level estimating tools to detailed design tools, both manual and software assisted. These methods have different purposes and provide results that are used for different parts of the project identification, and implementation process. Seven different assessment methods are evaluated in this study. These methods were selected by the program managers at the DoD Energy Policy Office, and DOE Federal Energy Management Program (FEMP). Each of the methods was applied to similar buildings at Bolling Air Force Base (AFB), unless it was inappropriate or the method was designed to make an installation-wide analysis, rather than focusing on particular buildings. Staff at Bolling AFB controlled the collection of data.

  5. Efficient Schemes for Reducing Numerical Dispersion in ModelingMultiphase Transport through Porous and Fractured Media

    SciTech Connect

    Wu, Yu-Shu; Forsyth, Peter A.

    2006-04-13

    Numerical issues with modeling transport of chemicals or solute in realistic large-scale subsurface systems have been a serious concern, even with the continual progress made in both simulation algorithms and computer hardware in the past few decades. The problem remains and becomes even more difficult when dealing with chemical transport in a multiphase flow system using coarse, multidimensional regular or irregular grids, because of the known effects of numerical dispersion associated with moving plume fronts. We have investigated several total-variation-diminishing (TVD) or flux-limiter schemes by implementing and testing them in the T2R3D code, one of the TOUGH2 family of codes. The objectives of this paper are (1) to investigate the possibility of applying these TVD schemes, using multi-dimensional irregular unstructured grids, and (2) to help select more accurate spatial averaging methods for simulating chemical transport given a numerical grid or spatial discretization. We present an application example to show that such TVD schemes are able to effectively reduce numerical dispersion.

  6. Efficient positional misalignment correction method for Fourier ptychographic microscopy

    PubMed Central

    Sun, Jiasong; Chen, Qian; Zhang, Yuzhen; Zuo, Chao

    2016-01-01

    Fourier ptychographic microscopy (FPM) is a newly developed super-resolution technique, which employs angularly varying illuminations and a phase retrieval algorithm to surpass the diffraction limit of a low numerical aperture (NA) objective lens. In current FPM imaging platforms, accurate knowledge of LED matrix’s position is critical to achieve good recovery quality. Furthermore, considering such a wide field-of-view (FOV) in FPM, different regions in the FOV have different sensitivity of LED positional misalignment. In this work, we introduce an iterative method to correct position errors based on the simulated annealing (SA) algorithm. To improve the efficiency of this correcting process, large number of iterations for several images with low illumination NAs are firstly implemented to estimate the initial values of the global positional misalignment model through non-linear regression. Simulation and experimental results are presented to evaluate the performance of the proposed method and it is demonstrated that this method can both improve the quality of the recovered object image and relax the LED elements’ position accuracy requirement while aligning the FPM imaging platforms. PMID:27446659

  7. Numerical analysis of polarization gratings using the finite-difference time-domain method

    SciTech Connect

    Oh, Chulwoo; Escuti, Michael J.

    2007-10-15

    We report the first full numerical analysis of polarization gratings (PGs), and study their most general properties and limits by using the finite-difference time-domain (FDTD) method. In this way, we avoid limiting assumptions on material properties or grating dimensions (e.g., no paraxial approximations) and provide a more complete understanding of PG diffraction behavior. We identify the fundamental delineation between diffraction regimes (thin versus thick) for anisotropic gratings and determine the conditions for {approx_equal}100% diffraction efficiency in the framework of the coupled-wave {rho} and Q parameters. Diffraction characteristics including the efficiency, spectral response, and polarization sensitivity are investigated for the two primary types of PGs with linear and circular birefringence. The angular response and finite-grating behavior (i.e., pixelation) are also examined. Comparisons with previous analytic approximations, where applicable, show good agreement.

  8. Stress analysis and damage evaluation of flawed composite laminates by hybrid-numerical methods

    NASA Technical Reports Server (NTRS)

    Yang, Yii-Ching

    1992-01-01

    Structural components in flight vehicles is often inherited flaws, such as microcracks, voids, holes, and delamination. These defects will degrade structures the same as that due to damages in service, such as impact, corrosion, and erosion. It is very important to know how a structural component can be useful and survive after these flaws and damages. To understand the behavior and limitation of these structural components researchers usually do experimental tests or theoretical analyses on structures with simulated flaws. However, neither approach has been completely successful. As Durelli states that 'Seldom does one method give a complete solution, with the most efficiency'. Examples of this principle is seen in photomechanics which additional strain-gage testing can only average stresses at locations of high concentration. On the other hand, theoretical analyses including numerical analyses are implemented with simplified assumptions which may not reflect actual boundary conditions. Hybrid-Numerical methods which combine photomechanics and numerical analysis have been used to correct this inefficiency since 1950's. But its application is limited until 1970's when modern computer codes became available. In recent years, researchers have enhanced the data obtained from photoelasticity, laser speckle, holography and moire' interferometry for input of finite element analysis on metals. Nevertheless, there is only few of literature being done on composite laminates. Therefore, this research is dedicated to this highly anisotropic material.

  9. An Evaluation of Solution Algorithms and Numerical Approximation Methods for Modeling an Ion Exchange Process

    PubMed Central

    Bu, Sunyoung; Huang, Jingfang; Boyer, Treavor H.; Miller, Cass T.

    2010-01-01

    The focus of this work is on the modeling of an ion exchange process that occurs in drinking water treatment applications. The model formulation consists of a two-scale model in which a set of microscale diffusion equations representing ion exchange resin particles that vary in size and age are coupled through a boundary condition with a macroscopic ordinary differential equation (ODE), which represents the concentration of a species in a well-mixed reactor. We introduce a new age-averaged model (AAM) that averages all ion exchange particle ages for a given size particle to avoid the expensive Monte-Carlo simulation associated with previous modeling applications. We discuss two different numerical schemes to approximate both the original Monte Carlo algorithm and the new AAM for this two-scale problem. The first scheme is based on the finite element formulation in space coupled with an existing backward-difference-formula-based ODE solver in time. The second scheme uses an integral equation based Krylov deferred correction (KDC) method and a fast elliptic solver (FES) for the resulting elliptic equations. Numerical results are presented to validate the new AAM algorithm, which is also shown to be more computationally efficient than the original Monte Carlo algorithm. We also demonstrate that the higher order KDC scheme is more efficient than the traditional finite element solution approach and this advantage becomes increasingly important as the desired accuracy of the solution increases. We also discuss issues of smoothness, which affect the efficiency of the KDC-FES approach, and outline additional algorithmic changes that would further improve the efficiency of these developing methods for a wide range of applications. PMID:20577570

  10. An evaluation of solution algorithms and numerical approximation methods for modeling an ion exchange process

    NASA Astrophysics Data System (ADS)

    Bu, Sunyoung; Huang, Jingfang; Boyer, Treavor H.; Miller, Cass T.

    2010-07-01

    The focus of this work is on the modeling of an ion exchange process that occurs in drinking water treatment applications. The model formulation consists of a two-scale model in which a set of microscale diffusion equations representing ion exchange resin particles that vary in size and age are coupled through a boundary condition with a macroscopic ordinary differential equation (ODE), which represents the concentration of a species in a well-mixed reactor. We introduce a new age-averaged model (AAM) that averages all ion exchange particle ages for a given size particle to avoid the expensive Monte-Carlo simulation associated with previous modeling applications. We discuss two different numerical schemes to approximate both the original Monte-Carlo algorithm and the new AAM for this two-scale problem. The first scheme is based on the finite element formulation in space coupled with an existing backward difference formula-based ODE solver in time. The second scheme uses an integral equation based Krylov deferred correction (KDC) method and a fast elliptic solver (FES) for the resulting elliptic equations. Numerical results are presented to validate the new AAM algorithm, which is also shown to be more computationally efficient than the original Monte-Carlo algorithm. We also demonstrate that the higher order KDC scheme is more efficient than the traditional finite element solution approach and this advantage becomes increasingly important as the desired accuracy of the solution increases. We also discuss issues of smoothness, which affect the efficiency of the KDC-FES approach, and outline additional algorithmic changes that would further improve the efficiency of these developing methods for a wide range of applications.

  11. An Evaluation of Solution Algorithms and Numerical Approximation Methods for Modeling an Ion Exchange Process.

    PubMed

    Bu, Sunyoung; Huang, Jingfang; Boyer, Treavor H; Miller, Cass T

    2010-07-01

    The focus of this work is on the modeling of an ion exchange process that occurs in drinking water treatment applications. The model formulation consists of a two-scale model in which a set of microscale diffusion equations representing ion exchange resin particles that vary in size and age are coupled through a boundary condition with a macroscopic ordinary differential equation (ODE), which represents the concentration of a species in a well-mixed reactor. We introduce a new age-averaged model (AAM) that averages all ion exchange particle ages for a given size particle to avoid the expensive Monte-Carlo simulation associated with previous modeling applications. We discuss two different numerical schemes to approximate both the original Monte Carlo algorithm and the new AAM for this two-scale problem. The first scheme is based on the finite element formulation in space coupled with an existing backward-difference-formula-based ODE solver in time. The second scheme uses an integral equation based Krylov deferred correction (KDC) method and a fast elliptic solver (FES) for the resulting elliptic equations. Numerical results are presented to validate the new AAM algorithm, which is also shown to be more computationally efficient than the original Monte Carlo algorithm. We also demonstrate that the higher order KDC scheme is more efficient than the traditional finite element solution approach and this advantage becomes increasingly important as the desired accuracy of the solution increases. We also discuss issues of smoothness, which affect the efficiency of the KDC-FES approach, and outline additional algorithmic changes that would further improve the efficiency of these developing methods for a wide range of applications.

  12. NUMERICAL MODELING OF CONTAMINANT TRANSPORT IN FRACTURED POROUS MEDIA USING MIXED FINITE ELEMENT AND FINITE VOLUME METHODS

    SciTech Connect

    Taylor, G.; Dong, C.; Sun, S.

    2010-03-18

    A mathematical model for contaminant species passing through fractured porous media is presented. In the numerical model, we combine two locally conservative methods, i.e. mixed finite element (MFE) and the finite volume methods. Adaptive triangle mesh is used for effective treatment of the fractures. A hybrid MFE method is employed to provide an accurate approximation of velocities field for both the fractures and matrix which are crucial to the convection part of the transport equation. The finite volume method and the standard MFE method are used to approximate the convection and dispersion terms respectively. The model is used to investigate the interaction of adsorption with transport and to extract information on effective adsorption distribution coefficients. Numerical examples in different fractured media illustrate the robustness and efficiency of the proposed numerical model.

  13. A numerical method for solving partial differential algebraic equations

    NASA Astrophysics Data System (ADS)

    Diep, Nguyen Khac; Chistyakov, V. F.

    2013-06-01

    Linear systems of partial differential equations with constant coefficient matrices are considered. The matrices multiplying the derivatives of the sought vector function are assumed to be singular. The structure of solutions to such systems is examined. The numerical solution of initialboundary value problems for such equations by applying implicit difference schemes is discussed.

  14. Numerical solutions and error estimations for the space fractional diffusion equation with variable coefficients via Fibonacci collocation method.

    PubMed

    Bahşı, Ayşe Kurt; Yalçınbaş, Salih

    2016-01-01

    In this study, the Fibonacci collocation method based on the Fibonacci polynomials are presented to solve for the fractional diffusion equations with variable coefficients. The fractional derivatives are described in the Caputo sense. This method is derived by expanding the approximate solution with Fibonacci polynomials. Using this method of the fractional derivative this equation can be reduced to a set of linear algebraic equations. Also, an error estimation algorithm which is based on the residual functions is presented for this method. The approximate solutions are improved by using this error estimation algorithm. If the exact solution of the problem is not known, the absolute error function of the problems can be approximately computed by using the Fibonacci polynomial solution. By using this error estimation function, we can find improved solutions which are more efficient than direct numerical solutions. Numerical examples, figures, tables are comparisons have been presented to show efficiency and usable of proposed method. PMID:27610294

  15. IMPROVED NUMERICAL METHODS FOR MODELING RIVER-AQUIFER INTERACTION.

    SciTech Connect

    Tidwell, Vincent Carroll; Sue Tillery; Phillip King

    2008-09-01

    A new option for Local Time-Stepping (LTS) was developed to use in conjunction with the multiple-refined-area grid capability of the U.S. Geological Survey's (USGS) groundwater modeling program, MODFLOW-LGR (MF-LGR). The LTS option allows each local, refined-area grid to simulate multiple stress periods within each stress period of a coarser, regional grid. This option is an alternative to the current method of MF-LGR whereby the refined grids are required to have the same stress period and time-step structure as the coarse grid. The MF-LGR method for simulating multiple-refined grids essentially defines each grid as a complete model, then for each coarse grid time-step, iteratively runs each model until the head and flux changes at the interfacing boundaries of the models are less than some specified tolerances. Use of the LTS option is illustrated in two hypothetical test cases consisting of a dual well pumping system and a hydraulically connected stream-aquifer system, and one field application. Each of the hypothetical test cases was simulated with multiple scenarios including an LTS scenario, which combined a monthly stress period for a coarse grid model with a daily stress period for a refined grid model. The other scenarios simulated various combinations of grid spacing and temporal refinement using standard MODFLOW model constructs. The field application simulated an irrigated corridor along the Lower Rio Grande River in New Mexico, with refinement of a small agricultural area in the irrigated corridor.The results from the LTS scenarios for the hypothetical test cases closely replicated the results from the true scenarios in the refined areas of interest. The head errors of the LTS scenarios were much smaller than from the other scenarios in relation to the true solution, and the run times for the LTS models were three to six times faster than the true models for the dual well and stream-aquifer test cases, respectively. The results of the field application

  16. Considerations of Methods of Improving Helicopter Efficiency

    NASA Technical Reports Server (NTRS)

    Dingeldein, Richard C.

    1961-01-01

    Recent NASA helicopter research indicates that significant improvements in hovering efficiency, up to 7 percent, are available from the use of a special airfoil section formed by combining an NACA 632A015 thickness distribution with an NACA 230 mean line. This airfoil should be considered for flying-crane-type helicopters. Application of standard leading-edge roughness causes a large drop in efficiency; however, the cambered rotor is shown to retain its superiority over a rotor having a symmetrical airfoil when both rotors have leading-edge roughness. A simple analysis of available rotor static-thrust data indicates a greatly reduced effect of compressibility effects on the rotor profile-drag power than predicted from calculations. Preliminary results of an experimental study of helicopter parasite drag indicate the practicability of achieving an equivalent flat-plate parasite-drag area of less than 4 square feet for a rotor-head-pylon-fuselage configuration (landing gear retracted) in the 2,000-pound minimum-flying-weight class. The large drag penalty of a conventional skid-type landing (3.6 square feet) can be reduced by two-thirds by careful design. Clean, fair, and smooth fuselages that tend to have narrow, deep cross sections are shown to have advantages from the standpoint of drag and download. A ferry range of the order of 1,500 miles is indicated to be practicable for the small helicopter considered.

  17. New efficient optimizing techniques for Kalman filters and numerical weather prediction models

    NASA Astrophysics Data System (ADS)

    Famelis, Ioannis; Galanis, George; Liakatas, Aristotelis

    2016-06-01

    The need for accurate local environmental predictions and simulations beyond the classical meteorological forecasts are increasing the last years due to the great number of applications that are directly or not affected: renewable energy resource assessment, natural hazards early warning systems, global warming and questions on the climate change can be listed among them. Within this framework the utilization of numerical weather and wave prediction systems in conjunction with advanced statistical techniques that support the elimination of the model bias and the reduction of the error variability may successfully address the above issues. In the present work, new optimization methods are studied and tested in selected areas of Greece where the use of renewable energy sources is of critical. The added value of the proposed work is due to the solid mathematical background adopted making use of Information Geometry and Statistical techniques, new versions of Kalman filters and state of the art numerical analysis tools.

  18. On Efficient Multigrid Methods for Materials Processing Flows with Small Particles

    NASA Technical Reports Server (NTRS)

    Thomas, James (Technical Monitor); Diskin, Boris; Harik, VasylMichael

    2004-01-01

    Multiscale modeling of materials requires simulations of multiple levels of structural hierarchy. The computational efficiency of numerical methods becomes a critical factor for simulating large physical systems with highly desperate length scales. Multigrid methods are known for their superior efficiency in representing/resolving different levels of physical details. The efficiency is achieved by employing interactively different discretizations on different scales (grids). To assist optimization of manufacturing conditions for materials processing with numerous particles (e.g., dispersion of particles, controlling flow viscosity and clusters), a new multigrid algorithm has been developed for a case of multiscale modeling of flows with small particles that have various length scales. The optimal efficiency of the algorithm is crucial for accurate predictions of the effect of processing conditions (e.g., pressure and velocity gradients) on the local flow fields that control the formation of various microstructures or clusters.

  19. A study of numerical methods of solution of the equations of motion of a controlled satellite under the influence of gravity gradient torque

    NASA Technical Reports Server (NTRS)

    Thompson, J. F.; Mcwhorter, J. C.; Siddiqi, S. A.; Shanks, S. P.

    1973-01-01

    Numerical methods of integration of the equations of motion of a controlled satellite under the influence of gravity-gradient torque are considered. The results of computer experimentation using a number of Runge-Kutta, multi-step, and extrapolation methods for the numerical integration of this differential system are presented, and particularly efficient methods are noted. A large bibliography of numerical methods for initial value problems for ordinary differential equations is presented, and a compilation of Runge-Kutta and multistep formulas is given. Less common numerical integration techniques from the literature are noted for further consideration.

  20. Simulation of Intra-Aneurysmal Blood Flow by Different Numerical Methods

    PubMed Central

    Weichert, Frank; Walczak, Lars; Fisseler, Denis; Opfermann, Tobias; Münster, Raphael; Grunwald, Iris; Roth, Christian; Veith, Christian; Wagner, Mathias

    2013-01-01

    The occlusional performance of sole endoluminal stenting of intracranial aneurysms is controversially discussed in the literature. Simulation of blood flow has been studied to shed light on possible causal attributions. The outcome, however, largely depends on the numerical method and various free parameters. The present study is therefore conducted to find ways to define parameters and efficiently explore the huge parameter space with finite element methods (FEMs) and lattice Boltzmann methods (LBMs). The goal is to identify both the impact of different parameters on the results of computational fluid dynamics (CFD) and their advantages and disadvantages. CFD is applied to assess flow and aneurysmal vorticity in 2D and 3D models. To assess and compare initial simulation results, simplified 2D and 3D models based on key features of real geometries and medical expert knowledge were used. A result obtained from this analysis indicates that a combined use of the different numerical methods, LBM for fast exploration and FEM for a more in-depth look, may result in a better understanding of blood flow and may also lead to more accurate information about factors that influence conditions for stenting of intracranial aneurysms. PMID:23662158

  1. An Improved Numerical Integration Method for Springback Predictions

    NASA Astrophysics Data System (ADS)

    Ibrahim, R.; Smith, L. M.; Golovashchenko, Sergey F.

    2011-08-01

    In this investigation, the focus is on the springback of steel sheets in V-die air bending. A full replication to a numerical integration algorithm presented rigorously in [1] to predict the springback in air bending was performed and confirmed successfully. Algorithm alteration and extensions were proposed here. The altered approach used in solving the moment equation numerically resulted in springback values much closer to the trend presented by the experimental data, Although investigation here extended to use a more realistic work-hardening model, the differences in the springback values obtained by both hardening models were almost negligible. The algorithm was extended to be applied on thin sheets down to 0.8 mm. Results show that this extension is possible as verified by FEA and other published experiments on TRIP steel sheets.

  2. Methods, Software and Tools for Three Numerical Applications. Final report

    SciTech Connect

    E. R. Jessup

    2000-03-01

    This is a report of the results of the authors work supported by DOE contract DE-FG03-97ER25325. They proposed to study three numerical problems. They are: (1) the extension of the PMESC parallel programming library; (2) the development of algorithms and software for certain generalized eigenvalue and singular value (SVD) problems, and (3) the application of techniques of linear algebra to an information retrieval technique known as latent semantic indexing (LSI).

  3. Numerical analysis of transmission efficiency for parabolic optical fiber nano-probe.

    PubMed

    Zhu, Wei; Shi, Tielin; Tang, Zirong; Gong, Bo; Liao, Guanglan; Liu, Shiyuan

    2013-11-18

    Theoretical calculations are performed for the transmission efficiencies of parabolic nano-probes with different shapes, based on the finite element method. It shows that the transmittance will fluctuate dramatically with the variation of either wavelength or probe shape, and the efficiency could be rather high even at long wavelengths. Subsequently, we thoroughly investigate this phenomenon and find that these fluctuations are due to the joint effect of light propagating modes and surface plasmon polaritons modes. It indicates that high transmittance can be achieved with the selection of appropriate wavelength and probe structure.

  4. Topological invariants for interacting topological insulators. I. Efficient numerical evaluation scheme and implementations

    NASA Astrophysics Data System (ADS)

    He, Yuan-Yao; Wu, Han-Qing; Meng, Zi Yang; Lu, Zhong-Yi

    2016-05-01

    The aim of this series of two papers is to discuss topological invariants for interacting topological insulators (TIs). In the first paper (I), we provide a paradigm of efficient numerical evaluation scheme for topological invariants, in which we demystify the procedures and techniques employed in calculating Z2 invariant and spin Chern number via zero-frequency single-particle Green's function in quantum Monte Carlo (QMC) simulations. Here we introduce an interpolation process to overcome the ubiquitous finite-size effect, so that the calculated spin Chern number shows ideally quantized values. We also show that making use of symmetry properties of the underlying systems can greatly reduce the computational effort. To demonstrate the effectiveness of our numerical evaluation scheme, especially the interpolation process, for calculating topological invariants, we apply it on two independent two-dimensional models of interacting topological insulators. In the subsequent paper (II), we apply the scheme developed here to wider classes of models of interacting topological insulators, for which certain limitation of constructing topological invariant via single-particle Green's functions will be presented.

  5. Computationally Efficient Algorithms for Parameter Estimation and Uncertainty Propagation in Numerical Models of Groundwater Flow

    NASA Astrophysics Data System (ADS)

    Townley, Lloyd R.; Wilson, John L.

    1985-12-01

    Finite difference and finite element methods are frequently used to study aquifer flow; however, additional analysis is required when model parameters, and hence predicted heads are uncertain. Computational algorithms are presented for steady and transient models in which aquifer storage coefficients, transmissivities, distributed inputs, and boundary values may all be simultaneously uncertain. Innovative aspects of these algorithms include a new form of generalized boundary condition; a concise discrete derivation of the adjoint problem for transient models with variable time steps; an efficient technique for calculating the approximate second derivative during line searches in weighted least squares estimation; and a new efficient first-order second-moment algorithm for calculating the covariance of predicted heads due to a large number of uncertain parameter values. The techniques are presented in matrix form, and their efficiency depends on the structure of sparse matrices which occur repeatedly throughout the calculations. Details of matrix structures are provided for a two-dimensional linear triangular finite element model.

  6. Numerical Study of Two-Dimensional Reaction-Diffusion Brusselator System by Differential Quadrature Method

    NASA Astrophysics Data System (ADS)

    Mittal, R. C.; Jiwari, Ram

    2011-01-01

    In this paper, a rapid, convergent and accurate differential quadrature method (DQM) is employed for numerical study of a two-dimensional reaction-diffusion Brusselator system. In the Brusselator system the reaction terms arise from the mathematical modeling of chemical systems such as in enzymatic reactions, and in plasma and laser physics in multiple coupling between modes. By employing DQM, accurate results can be obtained using fewer grid points in spatial domain for a large value of T = 50. We also found that Chebyshev-Gauss-Lobatto grid points give excellent results in comparison to other grid points such as uniform grid points. Three examples are solved to illustrate the accuracy and efficiency of the DQM. Convergence and stability of the method is also examined.

  7. Multibody Dynamics of Reconfigurable Space System Part II: (Contact Dynamics and Numerical Verification Method)

    NASA Astrophysics Data System (ADS)

    Takahashi, Takashi; Matunaga, Saburo

    In order to analyze dynamics of space systems, such as cluster satellite systems and the capturing process of damaged satellites, it is necessary to consider such space systems as reconfigurable multibody systems. In this paper, we discuss the numerical computation of the dynamics of the ground experiment system to simulate the capturing and berthing process of a satellite by a dual-manipulator on the flat floor as an example. We have previously discussed the efficient dynamics algorithm for reconfigurable multibody system with topological changes. However, the contact dynamics, which is one of the most difficult issues on our study, remains to be discussed. We introduce two types of the linear complementarity problem (LCP) concerned with contact dynamics. The difference between two types of the LCP is whether impacts can be considered. Dynamics systems with impacts and friction are non-conservation systems, moreover the LCP is not always solvable. Therefore we must check if the solutions of the numerical computation are correct, or how accurate those are. In this paper, we derive the method of numerical computation with guaranteed accuracy of the LCP for contact dynamics.

  8. Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation

    PubMed Central

    Botello-Smith, Wesley M.; Luo, Ray

    2016-01-01

    Continuum solvent models have been widely used in biomolecular modeling applications. Recently much attention has been given to inclusion of implicit membrane into existing continuum Poisson-Boltzmann solvent models to extend their applications to membrane systems. Inclusion of an implicit membrane complicates numerical solutions of the underlining Poisson-Boltzmann equation due to the dielectric inhomogeneity on the boundary surfaces of a computation grid. This can be alleviated by the use of the periodic boundary condition, a common practice in electrostatic computations in particle simulations. The conjugate gradient and successive over-relaxation methods are relatively straightforward to be adapted to periodic calculations, but their convergence rates are quite low, limiting their applications to free energy simulations that require a large number of conformations to be processed. To accelerate convergence, the Incomplete Cholesky preconditioning and the geometric multi-grid methods have been extended to incorporate periodicity for biomolecular applications. Impressive convergence behaviors were found as in the previous applications of these numerical methods to tested biomolecules and MMPBSA calculations. PMID:26389966

  9. Numerical methods for a general class of porous medium equations

    SciTech Connect

    Rose, M. E.

    1980-03-01

    The partial differential equation par. deltau/par. deltat + par. delta(f(u))/par. deltax = par. delta(g(u)par. deltau/par. deltax)/par. deltax, where g(u) is a non-negative diffusion coefficient that may vanish for one or more values of u, was used to model fluid flow through a porous medium. Error estimates for a numerical procedure to approximate the solution are derived. A revised version of this report will appear in Computers and Mathematics with Applications.

  10. Magnetohydrodynamic (MHD) modelling of solar active phenomena via numerical methods

    NASA Technical Reports Server (NTRS)

    Wu, S. T.

    1988-01-01

    Numerical ideal MHD models for the study of solar active phenomena are summarized. Particular attention is given to the following physical phenomena: (1) local heating of a coronal loop in an isothermal and stratified atmosphere, and (2) the coronal dynamic responses due to magnetic field movement. The results suggest that local heating of a magnetic loop will lead to the enhancement of the density of the neighboring loops through MHD wave compression. It is noted that field lines can be pinched off and may form a self-contained magnetized plasma blob that may move outward into interplanetary space.

  11. The Cauchy-Lagrangian method for numerical analysis of Euler flow

    NASA Astrophysics Data System (ADS)

    Podvigina, O.; Zheligovsky, V.; Frisch, U.

    2016-02-01

    A novel semi-Lagrangian method is introduced to solve numerically the Euler equation for ideal incompressible flow in arbitrary space dimension. It exploits the time-analyticity of fluid particle trajectories and requires, in principle, only limited spatial smoothness of the initial data. Efficient generation of high-order time-Taylor coefficients is made possible by a recurrence relation that follows from the Cauchy invariants formulation of the Euler equation (Zheligovsky and Frisch, 2014 [44]). Truncated time-Taylor series of very high order allow the use of time steps vastly exceeding the Courant-Friedrichs-Lewy limit, without compromising the accuracy of the solution. Tests performed on the two-dimensional Euler equation indicate that the Cauchy-Lagrangian method is more - and occasionally much more - efficient and less prone to instability than Eulerian Runge-Kutta methods, and less prone to rapid growth of rounding errors than the high-order Eulerian time-Taylor algorithm. We also develop tools of analysis adapted to the Cauchy-Lagrangian method, such as the monitoring of the radius of convergence of the time-Taylor series. Certain other fluid equations can be handled similarly.

  12. Projection methods for the numerical solution of Markov chain models

    NASA Technical Reports Server (NTRS)

    Saad, Youcef

    1989-01-01

    Projection methods for computing stationary probability distributions for Markov chain models are presented. A general projection method is a method which seeks an approximation from a subspace of small dimension to the original problem. Thus, the original matrix problem of size N is approximated by one of dimension m, typically much smaller than N. A particularly successful class of methods based on this principle is that of Krylov subspace methods which utilize subspaces of the form span(v,av,...,A(exp m-1)v). These methods are effective in solving linear systems and eigenvalue problems (Lanczos, Arnoldi,...) as well as nonlinear equations. They can be combined with more traditional iterative methods such as successive overrelaxation, symmetric successive overrelaxation, or with incomplete factorization methods to enhance convergence.

  13. Efficient implementation of minimal polynomial and reduced rank extrapolation methods

    NASA Technical Reports Server (NTRS)

    Sidi, Avram

    1990-01-01

    The minimal polynomial extrapolation (MPE) and reduced rank extrapolation (RRE) are two effective techniques that have been used in accelerating the convergence of vector sequences, such as those that are obtained from iterative solution of linear and nonlinear systems of equation. Their definitions involve some linear least squares problems, and this causes difficulties in their numerical implementation. Timewise efficient and numerically stable implementations for MPE and RRE are developed. A computer program written in FORTRAN 77 is also appended and applied to some model problems.

  14. Numerical conformal mapping methods for exterior and doubly connected regions

    SciTech Connect

    DeLillo, T.K.; Pfaltzgraff, J.A.

    1996-12-31

    Methods are presented and analyzed for approximating the conformal map from the exterior of the disk to the exterior a smooth, simple closed curve and from an annulus to a bounded, doubly connected region with smooth boundaries. The methods are Newton-like methods for computing the boundary correspondences and conformal moduli similar to Fornberg`s method for the interior of the disk. We show that the linear systems are discretizations of the identity plus a compact operator and, hence, that the conjugate gradient method converges superlinearly.

  15. An introduction to nonlinear programming. IV - Numerical methods for constrained minimization

    NASA Technical Reports Server (NTRS)

    Sorenson, H. W.; Koble, H. M.

    1976-01-01

    An overview is presented of the numerical solution of constrained minimization problems. Attention is given to both primal and indirect (linear programs and unconstrained minimizations) methods of solution.

  16. WATSFAR: numerical simulation of soil WATer and Solute fluxes using a FAst and Robust method

    NASA Astrophysics Data System (ADS)

    Crevoisier, David; Voltz, Marc

    2013-04-01

    To simulate the evolution of hydro- and agro-systems, numerous spatialised models are based on a multi-local approach and improvement of simulation accuracy by data-assimilation techniques are now used in many application field. The latest acquisition techniques provide a large amount of experimental data, which increase the efficiency of parameters estimation and inverse modelling approaches. In turn simulations are often run on large temporal and spatial domains which requires a large number of model runs. Eventually, despite the regular increase in computing capacities, the development of fast and robust methods describing the evolution of saturated-unsaturated soil water and solute fluxes is still a challenge. Ross (2003, Agron J; 95:1352-1361) proposed a method, solving 1D Richards' and convection-diffusion equation, that fulfil these characteristics. The method is based on a non iterative approach which reduces the numerical divergence risks and allows the use of coarser spatial and temporal discretisations, while assuring a satisfying accuracy of the results. Crevoisier et al. (2009, Adv Wat Res; 32:936-947) proposed some technical improvements and validated this method on a wider range of agro- pedo- climatic situations. In this poster, we present the simulation code WATSFAR which generalises the Ross method to other mathematical representations of soil water retention curve (i.e. standard and modified van Genuchten model) and includes a dual permeability context (preferential fluxes) for both water and solute transfers. The situations tested are those known to be the less favourable when using standard numerical methods: fine textured and extremely dry soils, intense rainfall and solute fluxes, soils near saturation, ... The results of WATSFAR have been compared with the standard finite element model Hydrus. The analysis of these comparisons highlights two main advantages for WATSFAR, i) robustness: even on fine textured soil or high water and solute

  17. Numerical simulation of effective efficiency of a discrete multi V-pattern rib solar air channel

    NASA Astrophysics Data System (ADS)

    Kumar, Anil; Saini, R. P.; Saini, J. S.

    2016-10-01

    The use of artificial roughness in the form of repeated ribs has been found to be an efficient method of improving the heat transfer to fluid flowing in the channel. In this study, performance of solar air channel as a function of discrete multi V-pattern rib shapes has been investigated. The e/D was varied from 0.022 to 0.043, Gd/Lv was varied from 0.24 to 0.80, g/e was varied from 0.5 to 1.5, α was varied from 30° to 75°, P/e was varied from 6.0 to 12.0 and W/w was varied from 1.0 to 10.0. A methodology has been developed for the prediction of effective efficiency. Based on the values of effective efficiency, an optimization has been carried out to determine the set of data of roughness shapes parameters that correspond to better effective efficiency for given values of operating parameters of the air channel. Design plots have been represent to depict the data of individual roughness shapes parameters that characterize the optimum condition as a function of performance parameter and intensity of radiation. It was observed that the maximum values of effective efficiency for e/D of 0.043, Gd/Lv of 0.69, g/e of 1.0, α of 60°, P/e of 8.0 and W/w of 6.0. Discrete multi v-rib shape has been found to be better thermohydraulic performance (effective efficiency) as comparison to other rib shapes solar air channels.

  18. Numerical methods for simulating blood flow at macro, micro, and multi scales.

    PubMed

    Imai, Yohsuke; Omori, Toshihiro; Shimogonya, Yuji; Yamaguchi, Takami; Ishikawa, Takuji

    2016-07-26

    In the past decade, numerical methods for the computational biomechanics of blood flow have progressed to overcome difficulties in diverse applications from cellular to organ scales. Such numerical methods may be classified by the type of computational mesh used for the fluid domain, into fixed mesh methods, moving mesh (boundary-fitted mesh) methods, and mesh-free methods. The type of computational mesh used is closely related to the characteristics of each method. We herein provide an overview of numerical methods recently used to simulate blood flow at macro and micro scales, with a focus on computational meshes. We also discuss recent progress in the multi-scale modeling of blood flow.

  19. Analysis of free turbulent shear flows by numerical methods

    NASA Technical Reports Server (NTRS)

    Korst, H. H.; Chow, W. L.; Hurt, R. F.; White, R. A.; Addy, A. L.

    1973-01-01

    Studies are described in which the effort was essentially directed to classes of problems where the phenomenologically interpreted effective transport coefficients could be absorbed by, and subsequently extracted from (by comparison with experimental data), appropriate coordinate transformations. The transformed system of differential equations could then be solved without further specifications or assumptions by numerical integration procedures. An attempt was made to delineate different regimes for which specific eddy viscosity models could be formulated. In particular, this would account for the carryover of turbulence from attached boundary layers, the transitory adjustment, and the asymptotic behavior of initially disturbed mixing regions. Such models were subsequently used in seeking solutions for the prescribed two-dimensional test cases, yielding a better insight into overall aspects of the exchange mechanisms.

  20. Efficient hybrid-symbolic methods for quantum mechanical calculations

    NASA Astrophysics Data System (ADS)

    Scott, T. C.; Zhang, Wenxing

    2015-06-01

    We present hybrid symbolic-numerical tools to generate optimized numerical code for rapid prototyping and fast numerical computation starting from a computer algebra system (CAS) and tailored to any given quantum mechanical problem. Although a major focus concerns the quantum chemistry methods of H. Nakatsuji which has yielded successful and very accurate eigensolutions for small atoms and molecules, the tools are general and may be applied to any basis set calculation with a variational principle applied to its linear and non-linear parameters.

  1. Comparison and Tensorial Formulation of Inelastic Constitutive Models of Salt Rock Behaviour and Efficient Numerical Implementatio

    NASA Astrophysics Data System (ADS)

    Nagel, T.; Böttcher, N.; Görke, U. J.; Kolditz, O.

    2014-12-01

    The design process of geotechnical installations includes the application of numerical simulation tools for safety assessment, dimensioning and long term effectiveness estimations. Underground salt caverns can be used for the storage of natural gas, hydrogen, oil, waste or compressed air. For their design one has to take into account fluctuating internal pressures due to different levels of filling, the stresses imposed by the surrounding rock mass, irregular geometries and possibly heterogeneous material properties [3] in order to estimate long term cavern convergence as well as locally critical wall stresses. Constitutive models applied to rock salt are usually viscoplastic in nature and most often based on a Burgers-type rheological model extended by non-linear viscosity functions and/or plastic friction elements. Besides plastic dilatation, healing and damage are sometimes accounted for as well [2]. The scales of the geotechnical system to be simulated and the laboratory tests from which material parameters are determined are vastly different. The most common material testing modalities to determine material parameters in geoengineering are the uniaxial and the triaxial compression tests. Some constitutive formulations in widespread use are formulated based on equivalent rather than tensorial quantities valid under these specific test conditions and are subsequently applied to heterogeneous underground systems and complex 3D load cases. We show here that this procedure is inappropriate and can lead to erroneous results. We further propose alternative formulations of the constitutive models in question that restore their validity under arbitrary loading conditions. For an efficient numerical simulation, the discussed constitutive models are integrated locally with a Newton-Raphson algorithm that directly provides the algorithmically consistent tangent matrix for the global Newton iteration of the displacement based finite element formulation. Finally, the finite

  2. Breakdown of deterministic lateral displacement efficiency for non-dilute suspensions: A numerical study.

    PubMed

    Vernekar, R; Krüger, T

    2015-09-01

    We investigate the effect of particle volume fraction on the efficiency of deterministic lateral displacement (DLD) devices. DLD is a popular passive sorting technique for microfluidic applications. Yet, it has been designed for treating dilute suspensions, and its efficiency for denser samples is not well known. We perform 3D simulations based on the immersed-boundary, lattice-Boltzmann and finite-element methods to model the flow of red blood cells (RBCs) in different DLD devices. We quantify the DLD efficiency in terms of appropriate "failure" probabilities and RBC counts in designated device outlets. Our main result is that the displacement mode breaks down upon an increase of RBC volume fraction, while the zigzag mode remains relatively robust. This suggests that the separation of larger particles (such as white blood cells) from a dense RBC background is simpler than separating smaller particles (such as platelets) from the same background. The observed breakdown stems from non-deterministic particle collisions interfering with the designed deterministic nature of DLD devices. Therefore, we postulate that dense suspension effects generally hamper efficient particle separation in devices based on deterministic principles.

  3. An efficient method for computation of the manipulator inertia matrix

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Bejczy, Antal K.

    1989-01-01

    An efficient method of computation of the manipulator inertia matrix is presented. Using spatial notations, the method leads to the definition of the composite rigid-body spatial inertia, which is a spatial representation of the notion of augmented body. The previously proposed methods, the physical interpretations leading to their derivation, and their redundancies are analyzed. The proposed method achieves a greater efficiency by eliminating the redundancy in the intrinsic equations as well as by a better choice of coordinate frame for their projection. In this case, removing the redundancy leads to greater efficiency of the computation in both serial and parallel senses.

  4. Feasibility study of the numerical integration of shell equations using the field method

    NASA Technical Reports Server (NTRS)

    Cohen, G. A.

    1973-01-01

    The field method is developed for arbitrary open branch domains subjected to general linear boundary conditions. Although closed branches are within the scope of the method, they are not treated here. The numerical feasibility of the method has been demonstrated by implementing it in a computer program for the linear static analysis of open branch shells of revolution under asymmetric loads. For such problems the field method eliminates the well-known numerical problem of long subintervals associated with the rapid growth of extraneous solutions. Also, the method appears to execute significantly faster than other numerical integration methods.

  5. Relativistic magnetohydrodynamics in dynamical spacetimes: Numerical methods and tests

    SciTech Connect

    Duez, Matthew D.; Liu, Yuk Tung; Shapiro, Stuart L.; Stephens, Branson C.

    2005-07-15

    Many problems at the forefront of theoretical astrophysics require the treatment of magnetized fluids in dynamical, strongly curved spacetimes. Such problems include the origin of gamma-ray bursts, magnetic braking of differential rotation in nascent neutron stars arising from stellar core collapse or binary neutron star merger, the formation of jets and magnetized disks around newborn black holes, etc. To model these phenomena, all of which involve both general relativity (GR) and magnetohydrodynamics (MHD), we have developed a GRMHD code capable of evolving MHD fluids in dynamical spacetimes. Our code solves the Einstein-Maxwell-MHD system of coupled equations in axisymmetry and in full 3+1 dimensions. We evolve the metric by integrating the Baumgarte-Shapiro-Shibata-Nakamura equations, and use a conservative, shock-capturing scheme to evolve the MHD equations. Our code gives accurate results in standard MHD code-test problems, including magnetized shocks and magnetized Bondi flow. To test our code's ability to evolve the MHD equations in a dynamical spacetime, we study the perturbations of a homogeneous, magnetized fluid excited by a gravitational plane wave, and we find good agreement between the analytic and numerical solutions.

  6. Efficient numerical schemes for viscoplastic avalanches. Part 1: The 1D case

    SciTech Connect

    Fernández-Nieto, Enrique D.

    2014-05-01

    This paper deals with the numerical resolution of a shallow water viscoplastic flow model. Viscoplastic materials are characterized by the existence of a yield stress: below a certain critical threshold in the imposed stress, there is no deformation and the material behaves like a rigid solid, but when that yield value is exceeded, the material flows like a fluid. In the context of avalanches, it means that after going down a slope, the material can stop and its free surface has a non-trivial shape, as opposed to the case of water (Newtonian fluid). The model involves variational inequalities associated with the yield threshold: finite-volume schemes are used together with duality methods (namely Augmented Lagrangian and Bermúdez–Moreno) to discretize the problem. To be able to accurately simulate the stopping behavior of the avalanche, new schemes need to be designed, involving the classical notion of well-balancing. In the present context, it needs to be extended to take into account the viscoplastic nature of the material as well as general bottoms with wet/dry fronts which are encountered in geophysical geometries. We derived such schemes and numerical experiments are presented to show their performances.

  7. Efficiency assessment of vertical barriers on the basis of flow and transport numerical modeling

    NASA Astrophysics Data System (ADS)

    Koda, Eugeniusz; Kołanka, Tomasz; Osiński, Piotr

    2012-10-01

    The construction of cut-off walls is a common solution applied in such disciplines as land reclamation and landfill containment. Most commonly the construction of vertical barriers is based on cut-off wall mono or diphase technology with the use of bentonite-cement mixture as a filling material. The content of the paper is focused on groundwater flow and transport numerical modeling conducted on landfill areas where vertical bentonite barriers were constructed. The modeling process was conducted with the use of FEMWATER software which employs analysis based on finite element method. There are two examples of the software application presented in the paper which concern such case studies, i.e., reclamation of Radiowo and Łubna landfill sites. These examples are provided to prove that the appropriate investigation of ground conditions as well as definition of initial and boundary conditions and correct selection of material parameters to be fed into the software, are crucial for the overall modeling process. Moreover, the comparison of results obtained from the numerical modeling and the groundwater monitoring on site is presented for one of the case studies.

  8. Numerical simulation of sloshing with large deforming free surface by MPS-LES method

    NASA Astrophysics Data System (ADS)

    Pan, Xu-jie; Zhang, Huai-xin; Sun, Xue-yao

    2012-12-01

    Moving particle semi-implicit (MPS) method is a fully Lagrangian particle method which can easily solve problems with violent free surface. Although it has demonstrated its advantage in ocean engineering applications, it still has some defects to be improved. In this paper, MPS method is extended to the large eddy simulation (LES) by coupling with a sub-particle-scale (SPS) turbulence model. The SPS turbulence model turns into the Reynolds stress terms in the filtered momentum equation, and the Smagorinsky model is introduced to describe the Reynolds stress terms. Although MPS method has the advantage in the simulation of the free surface flow, a lot of non-free surface particles are treated as free surface particles in the original MPS model. In this paper, we use a new free surface tracing method and the key point is "neighbor particle". In this new method, the zone around each particle is divided into eight parts, and the particle will be treated as a free surface particle as long as there are no "neighbor particles" in any two parts of the zone. As the number density parameter judging method has a high efficiency for the free surface particles tracing, we combine it with the neighbor detected method. First, we select out the particles which may be mistreated with high probabilities by using the number density parameter judging method. And then we deal with these particles with the neighbor detected method. By doing this, the new mixed free surface tracing method can reduce the mistreatment problem efficiently. The serious pressure fluctuation is an obvious defect in MPS method, and therefore an area-time average technique is used in this paper to remove the pressure fluctuation with a quite good result. With these improvements, the modified MPS-LES method is applied to simulate liquid sloshing problems with large deforming free surface. Results show that the modified MPS-LES method can simulate the large deforming free surface easily. It can not only capture

  9. Numerical Stability and Convergence of Approximate Methods for Conservation Laws

    NASA Astrophysics Data System (ADS)

    Galkin, V. A.

    We present the new approach to background of approximate methods convergence based on functional solutions theory for conservation laws. The applications to physical kinetics, gas and fluid dynamics are considered.

  10. A numerical method for eigenvalue problems in modeling liquid crystals

    SciTech Connect

    Baglama, J.; Farrell, P.A.; Reichel, L.; Ruttan, A.; Calvetti, D.

    1996-12-31

    Equilibrium configurations of liquid crystals in finite containments are minimizers of the thermodynamic free energy of the system. It is important to be able to track the equilibrium configurations as the temperature of the liquid crystals decreases. The path of the minimal energy configuration at bifurcation points can be computed from the null space of a large sparse symmetric matrix. We describe a new variant of the implicitly restarted Lanczos method that is well suited for the computation of extreme eigenvalues of a large sparse symmetric matrix, and we use this method to determine the desired null space. Our implicitly restarted Lanczos method determines adoptively a polynomial filter by using Leja shifts, and does not require factorization of the matrix. The storage requirement of the method is small, and this makes it attractive to use for the present application.

  11. Numerical Study of Usage Efficiency of Multistage Filters on Mineral Leaching Process

    NASA Astrophysics Data System (ADS)

    Inkarbekov, Medet; Kuljabekov, Alibek; Alibayeva, Karlygash; Kaltayev, Aidarkhan

    2013-11-01

    The numerical study of the usage efficiency of the multistage filters setting technology is carried out on the basis of mathematical simulation. And its application on in-situ mineral leaching process is considered. So long as mineral bearing sandstone in deposit mostly is separated by interbedded layers of sands and clays, it's expedient to use multistage filters setting technology at the mineral extraction. A comparison of the extraction degree at single and multistage filters is implemented. The results of calculations show that the distribution of flow (inflow) on well height is not uniform. In the calculations the well accepted as high-permeability channel, depending on the construction of the filter. Obtained results for a multistage filters setting qualitatively conform to the experimental findings. Wellbore is considered as a surface with a constant reduced pressure in the bottomhole formation zone. But such assumption does not show a qualitative picture of the fluid flow in the bottomhole zone [Brovin K.G., Grabovnikov V.A., 1997]. To construct an accurate mathematical model it's necessary to use Navier-Stokes equation for the interior of a vertical wellbore, and the filtration law for modeling the filtration in the reservoir. Strictly speaking, it would have had to sew two laws on the contact surface of a rock and filter. Such review requires enormous computing, as far as computational grid must be sufficiently thick to cover the interior of the wellbore.

  12. Efficient technique for the numerical solution of the one-dimensional inverse problem of heat conduction

    NASA Astrophysics Data System (ADS)

    Blackwell, B. F.

    1981-06-01

    A very efficient numerical technique has been developed to solve the one-dimensional inverse problem of heat conduction. The Gauss elimination algorithm for solving the tridiagonal system of linear algebraic equations associated with most implicit heat conduction codes is specialized to the inverse problem. When compared to the corresponding direct problem, the upper limit in additional computation time generally does not exceed 27-36%. The technique can be adapted to existing one-dimensional implicit heat conduction codes with minimal effort and applied to difference equations obtained from finite-difference, finite-element, finite control volume, or similar techniques, provided the difference equations are tridiagonal in form. It is also applicable to the nonlinear case in which thermal properties are temperature-dependent and is valid for one-dimensional radial cylindrical and spherical geometries as well as composite bodies. The calculations reported here were done by modifying a one-dimensional implicit (direct) heat conduction code. Program changes consisted of 13 additional lines of FORTRAN coding.

  13. Eulerian-Lagrangian numerical scheme for simulating advection, dispersion, and transient storage in streams and a comparison of numerical methods

    USGS Publications Warehouse

    Cox, T.J.; Runkel, R.L.

    2008-01-01

    Past applications of one-dimensional advection, dispersion, and transient storage zone models have almost exclusively relied on a central differencing, Eulerian numerical approximation to the nonconservative form of the fundamental equation. However, there are scenarios where this approach generates unacceptable error. A new numerical scheme for this type of modeling is presented here that is based on tracking Lagrangian control volumes across a fixed (Eulerian) grid. Numerical tests are used to provide a direct comparison of the new scheme versus nonconservative Eulerian numerical methods, in terms of both accuracy and mass conservation. Key characteristics of systems for which the Lagrangian scheme performs better than the Eulerian scheme include: nonuniform flow fields, steep gradient plume fronts, and pulse and steady point source loadings in advection-dominated systems. A new analytical derivation is presented that provides insight into the loss of mass conservation in the nonconservative Eulerian scheme. This derivation shows that loss of mass conservation in the vicinity of spatial flow changes is directly proportional to the lateral inflow rate and the change in stream concentration due to the inflow. While the nonconservative Eulerian scheme has clearly worked well for past published applications, it is important for users to be aware of the scheme's limitations. ?? 2008 ASCE.

  14. Improved numerical methods for turbulent viscous recirculating flows

    NASA Technical Reports Server (NTRS)

    Turan, A.; Vandoormaal, J. P.

    1988-01-01

    The performance of discrete methods for the prediction of fluid flows can be enhanced by improving the convergence rate of solvers and by increasing the accuracy of the discrete representation of the equations of motion. This report evaluates the gains in solver performance that are available when various acceleration methods are applied. Various discretizations are also examined and two are recommended because of their accuracy and robustness. Insertion of the improved discretization and solver accelerator into a TEACH mode, that has been widely applied to combustor flows, illustrates the substantial gains to be achieved.

  15. Numerical solution of 2D-vector tomography problem using the method of approximate inverse

    NASA Astrophysics Data System (ADS)

    Svetov, Ivan; Maltseva, Svetlana; Polyakova, Anna

    2016-08-01

    We propose a numerical solution of reconstruction problem of a two-dimensional vector field in a unit disk from the known values of the longitudinal and transverse ray transforms. The algorithm is based on the method of approximate inverse. Numerical simulations confirm that the proposed method yields good results of reconstruction of vector fields.

  16. Numerical integral methods to study plasmonic modes in a photonic crystal waveguide with circular inclusions that involve a metamaterial

    NASA Astrophysics Data System (ADS)

    Mendoza-Suárez, A.; Pérez-Aguilar, H.

    2016-09-01

    We present several numerical integral methods for the study of a photonic crystal waveguide, formed by two parallel conducting plates and an array of circular inclusions involving a conducting material and a metamaterial. Band structures and reflectance were calculated, for infinite and finite photonic crystal waveguides, respectively. The numerical results obtained show that the numerical methods applied provide good accuracy and efficiency. An interesting detail that resulted from this study was the appearance of a propagating mode in a band gap due to defects in the middle of the photonic crystal waveguide. This is equivalent to dope a semiconductor to introduce allowed energy states within a band gap. Our main interest in this work is to model photonic crystal waveguides that involve left-handed materials (LHMs). For the specific LHM considered, a surface plasmon mode on the vacuum-LHM interface was found.

  17. Numerical experiments with a parallel conjugate gradient method

    SciTech Connect

    Oppe, T.C.; Kincaid, D.R.

    1987-04-01

    A parallel version of the conjugate gradient method introduced by Seager is implemented using various Cray multitasking tools. The parallel algorithm is used to solve a model partial differential equation on the unit square for various mesh sizes. Speed-up factors are given, and the effects of bank conflicts are noted. 8 refs., 10 figs.

  18. Evaluating numerical ODE/DAE methods, algorithms and software

    NASA Astrophysics Data System (ADS)

    Soderlind, Gustaf; Wang, Lina

    2006-01-01

    Until recently, the testing of ODE/DAE software has been limited to simple comparisons and benchmarking. The process of developing software from a mathematically specified method is complex: it entails constructing control structures and objectives, selecting iterative methods and termination criteria, choosing norms and many more decisions. Most software constructors have taken a heuristic approach to these design choices, and as a consequence two different implementations of the same method may show significant differences in performance. Yet it is common to try to deduce from software comparisons that one method is better than another. Such conclusions are not warranted, however, unless the testing is carried out under true ceteris paribus conditions. Moreover, testing is an empirical science and as such requires a formal test protocol; without it conclusions are questionable, invalid or even false.We argue that ODE/DAE software can be constructed and analyzed by proven, "standard" scientific techniques instead of heuristics. The goals are computational stability, reproducibility, and improved software quality. We also focus on different error criteria and norms, and discuss modifications to DASPK and RADAU5. Finally, some basic principles of a test protocol are outlined and applied to testing these codes on a variety of problems.

  19. A survey of numerical methods for shock physics applications

    SciTech Connect

    Hertel, E.S. Jr.

    1997-10-01

    Hydrocodes or more accurately, shock physics analysis packages, have been widely used in the US Department of Energy (DOE) laboratories and elsewhere around the world for over 30 years. Initial applications included weapons effects studies where the pressure levels were high enough to disregard the material strength, hence the term hydrocode. Over the last 30 years, Sandia has worked extensively to develop and apply advanced hydrocodes to armor/anti-armor interactions, warhead design, high explosive initiation, and nuclear weapon safety issues. The needs of the DOE have changed over the last 30 years, especially over the last decade. A much stronger emphasis is currently placed on the details of material deformation and high explosive initiation phenomena. The hydrocodes of 30 years ago have now evolved into sophisticated analysis tools that can replace testing in some situations and complement it in all situations. A brief history of the development of hydrocodes in the US will be given. The author also discusses and compares the four principal methods in use today for the solution of the conservation equations of mass, momentum, and energy for shock physics applications. The techniques discussed are the Eulerian methods currently employed by the Sandia multi-dimensional shock physics analysis package known as CTH; the element based Lagrangian method currently used by codes like DYNA; the element free Lagrangian method (also known as smooth particle hydrodynamics) used by codes like the Los Alamos code SPHINX; and the Arbitrary Lagrangian Eulerian methods used by codes like the Lawrence Livermore code CALE or the Sandia code ALEGRA.

  20. Tempest - Efficient Computation of Atmospheric Flows Using High-Order Local Discretization Methods

    NASA Astrophysics Data System (ADS)

    Ullrich, P. A.; Guerra, J. E.

    2014-12-01

    The Tempest Framework composes several compact numerical methods to easily facilitate intercomparison of atmospheric flow calculations on the sphere and in rectangular domains. This framework includes the implementations of Spectral Elements, Discontinuous Galerkin, Flux Reconstruction, and Hybrid Finite Element methods with the goal of achieving optimal accuracy in the solution of atmospheric problems. Several advantages of this approach are discussed such as: improved pressure gradient calculation, numerical stability by vertical/horizontal splitting, arbitrary order of accuracy, etc. The local numerical discretization allows for high performance parallel computation and efficient inclusion of parameterizations. These techniques are used in conjunction with a non-conformal, locally refined, cubed-sphere grid for global simulations and standard Cartesian grids for simulations at the mesoscale. A complete implementation of the methods described is demonstrated in a non-hydrostatic setting.

  1. Sound graphs: a numerical data analysis method for the blind.

    PubMed

    Mansur, D L; Blattner, M M; Joy, K I

    1985-06-01

    A system for the creation of computer-generated sound patterns of two-dimensional line graphs is described. The objectives of the system are to provide the blind with a means of understanding line graphs in the holistic manner used by those with sight. A continuously varying pitch is used to represent motion in the x direction. To test the feasibility of using sound to represent graphs, a prototype system was developed and human factors experimenters were performed. Fourteen subjects were used to compare the tactile-graph methods normally used by the blind to these new sound graphs. It was discovered that mathematical concepts such as symmetry, monotonicity, and the slopes of lines could be determined quickly using sound. Even better performance may be expected with additional training. The flexibility, speed, cost-effectiveness, and greater measure of independence provided the blind or sight-impaired using these methods was demonstrated. PMID:2932516

  2. Extremal polynomials and methods of optimization of numerical algorithms

    SciTech Connect

    Lebedev, V I

    2004-10-31

    Chebyshev-Markov-Bernstein-Szegoe polynomials C{sub n}(x) extremal on [-1,1] with weight functions w(x)=(1+x){sup {alpha}}(1- x){sup {beta}}/{radical}(S{sub l}(x)) where {alpha},{beta}=0,1/2 and S{sub l}(x)={pi}{sub k=1}{sup m}(1-c{sub k}T{sub l{sub k}}(x))>0 are considered. A universal formula for their representation in trigonometric form is presented. Optimal distributions of the nodes of the weighted interpolation and explicit quadrature formulae of Gauss, Markov, Lobatto, and Rado types are obtained for integrals with weight p(x)=w{sup 2}(x)(1-x{sup 2}){sup -1/2}. The parameters of optimal Chebyshev iterative methods reducing the error optimally by comparison with the initial error defined in another norm are determined. For each stage of the Fedorenko-Bakhvalov method iteration parameters are determined which take account of the results of the previous calculations. Chebyshev filters with weight are constructed. Iterative methods of the solution of equations containing compact operators are studied.

  3. Numerical simulation of fluid-structure interactions with stabilized finite element method

    NASA Astrophysics Data System (ADS)

    Sváček, Petr

    2016-03-01

    This paper is interested to the interactions of the incompressible flow with a flexibly supported airfoil. The bending and the torsion modes are considered. The problem is mathematically described. The numerical method is based on the finite element method. A combination of the streamline-upwind/Petrov-Galerkin and pressure stabilizing/Petrov-Galerkin method is used for the stabilization of the finite element method. The numerical results for a three-dimensional problem of flow over an airfoil are shown.

  4. A numerical method for solving the 3D unsteady incompressible Navier Stokes equations in curvilinear domains with complex immersed boundaries

    NASA Astrophysics Data System (ADS)

    Ge, Liang; Sotiropoulos, Fotis

    2007-08-01

    A novel numerical method is developed that integrates boundary-conforming grids with a sharp interface, immersed boundary methodology. The method is intended for simulating internal flows containing complex, moving immersed boundaries such as those encountered in several cardiovascular applications. The background domain (e.g. the empty aorta) is discretized efficiently with a curvilinear boundary-fitted mesh while the complex moving immersed boundary (say a prosthetic heart valve) is treated with the sharp-interface, hybrid Cartesian/immersed-boundary approach of Gilmanov and Sotiropoulos [A. Gilmanov, F. Sotiropoulos, A hybrid cartesian/immersed boundary method for simulating flows with 3d, geometrically complex, moving bodies, Journal of Computational Physics 207 (2005) 457-492.]. To facilitate the implementation of this novel modeling paradigm in complex flow simulations, an accurate and efficient numerical method is developed for solving the unsteady, incompressible Navier-Stokes equations in generalized curvilinear coordinates. The method employs a novel, fully-curvilinear staggered grid discretization approach, which does not require either the explicit evaluation of the Christoffel symbols or the discretization of all three momentum equations at cell interfaces as done in previous formulations. The equations are integrated in time using an efficient, second-order accurate fractional step methodology coupled with a Jacobian-free, Newton-Krylov solver for the momentum equations and a GMRES solver enhanced with multigrid as preconditioner for the Poisson equation. Several numerical experiments are carried out on fine computational meshes to demonstrate the accuracy and efficiency of the proposed method for standard benchmark problems as well as for unsteady, pulsatile flow through a curved, pipe bend. To demonstrate the ability of the method to simulate flows with complex, moving immersed boundaries we apply it to calculate pulsatile, physiological flow

  5. Robust numerical method for integration of point-vortex trajectories in two dimensions.

    PubMed

    Smith, Spencer A; Boghosian, Bruce M

    2011-05-01

    The venerable two-dimensional (2D) point-vortex model plays an important role as a simplified version of many disparate physical systems, including superfluids, Bose-Einstein condensates, certain plasma configurations, and inviscid turbulence. This system is also a veritable mathematical playground, touching upon many different disciplines from topology to dynamic systems theory. Point-vortex dynamics are described by a relatively simple system of nonlinear ordinary differential equations which can easily be integrated numerically using an appropriate adaptive time stepping method. As the separation between a pair of vortices relative to all other intervortex length scales decreases, however, the computational time required diverges. Accuracy is usually the most discouraging casualty when trying to account for such vortex motion, though the varying energy of this ostensibly Hamiltonian system is a potentially more serious problem. We solve these problems by a series of coordinate transformations: We first transform to action-angle coordinates, which, to lowest order, treat the close pair as a single vortex amongst all others with an internal degree of freedom. We next, and most importantly, apply Lie transform perturbation theory to remove the higher-order correction terms in succession. The overall transformation drastically increases the numerical efficiency and ensures that the total energy remains constant to high accuracy.

  6. Sensitivity of Simulated Warm Rain Formation to Collision and Coalescence Efficiencies, Breakup, and Turbulence: Comparison of Two Bin-Resolved Numerical Models

    NASA Technical Reports Server (NTRS)

    Fridlind, Ann; Seifert, Axel; Ackerman, Andrew; Jensen, Eric

    2004-01-01

    Numerical models that resolve cloud particles into discrete mass size distributions on an Eulerian grid provide a uniquely powerful means of studying the closely coupled interaction of aerosols, cloud microphysics, and transport that determine cloud properties and evolution. However, such models require many experimentally derived paramaterizations in order to properly represent the complex interactions of droplets within turbulent flow. Many of these parameterizations remain poorly quantified, and the numerical methods of solving the equations for temporal evolution of the mass size distribution can also vary considerably in terms of efficiency and accuracy. In this work, we compare results from two size-resolved microphysics models that employ various widely-used parameterizations and numerical solution methods for several aspects of stochastic collection.

  7. Design of braided composite tubes by numerical analysis method

    SciTech Connect

    Hamada, Hiroyuki; Fujita, Akihiro; Maekawa, Zenichiro; Nakai, Asami; Yokoyama, Atsushi

    1995-11-01

    Conventional composite laminates have very poor strength through thickness and as a result are limited in their application for structural parts with complex shape. In this paper, the design for braided composite tube was proposed. The concept of analysis model which involved from micro model to macro model was presented. This method was applied to predict bending rigidity and initial fracture stress under bending load of the braided tube. The proposed analytical procedure can be included as a unit in CAE system for braided composites.

  8. A new numerical method for wave propagation through assemblies of cylinders and spheres

    NASA Astrophysics Data System (ADS)

    Yano, Takeru; Prosperetti, Andrea

    2002-05-01

    PHYSALIS is a new method for the numerical solution of a variety of problems (potential theory, Navier-Stokes equations, and others) involving cylindrical or spherical internal boundaries [A. Prosperetti and H. N. Oguz, J. Comput. Phys. 167, 196-216 (2001)]. At the heart of the method is the use of an exact analytical solution to transfer the boundary conditions from the surface of the inclusions to the neighboring grid nodes. This step avoids the difficulty deriving from the complex geometrical relationship between the internal boundaries and the underlying regular grid, with the added benefit that fast solvers can be used. In this work the method is adapted to two-dimensional acoustic scattering by cylinders as governed by the Helmholtz equation. As in prior applications, the method reveals itself highly efficient and of a relatively simple implementation. These features are illustrated on several problems. In particular, it is shown that the computational time grows much less than linearly with the number of cylinders, which permits the simulation of complex multiple scattering problems without large computational resources. [Work supported by The Japan Ministry of Education, Culture, Sports, Science and Technology, and by ONR.

  9. A fast method of numerical quadrature for p-version finite element matrices

    NASA Technical Reports Server (NTRS)

    Hinnant, Howard E.

    1993-01-01

    A new technique of numerical quadrature especially suited for p-version finite element matrices is presented. This new technique separates the integrand into two parts, and numerically operates on each part separately. The objective of this scheme is to minimize the computational cost of integrating the entire element matrix as opposed to minimizing the cost of integrating a single function. The efficiency of the new technique is compared with Gaussian quadrature and found to take a small fraction of the computational effort.

  10. Weakly nonlinear stability analysis of magnetohydrodynamic channel flow using an efficient numerical approach

    NASA Astrophysics Data System (ADS)

    Hagan, Jonathan; Priede, Jānis

    2013-12-01

    We analyze weakly nonlinear stability of a flow of viscous conducting liquid driven by pressure gradient in the channel between two parallel walls subject to a transverse magnetic field. Using a non-standard numerical approach, we compute the linear growth rate correction and the first Landau coefficient, which in a sufficiently strong magnetic field vary with the Hartmann number as μ 1˜ (0.814-i19.8)× 10^{-3}textit {Ha} and μ 2˜ (2.73-i1.50)× 10^{-5}textit {Ha}^{-4}. These coefficients describe a subcritical transverse velocity perturbation with the equilibrium amplitude |A|2=Re [μ 1]/Re [μ 2](textit {Re}c-textit {Re})˜ 29.8textit {Ha}5(textit {Re}c-textit {Re}), which exists at Reynolds numbers below the linear stability threshold textit {Re}c˜ 4.83× 104textit {Ha}. We find that the flow remains subcritically unstable regardless of the magnetic field strength. Our method for computing Landau coefficients differs from the standard one by the application of the solvability condition to the discretized rather than continuous problem. This allows us to bypass both the solution of the adjoint problem and the subsequent evaluation of the integrals defining the inner products, which results in a significant simplification of the method.

  11. Numerical computation of sapphire crystal growth using heat exchanger method

    NASA Astrophysics Data System (ADS)

    Lu, Chung-Wei; Chen, Jyh-Chen

    2001-05-01

    The finite element software FIDAP is employed to study the temperature and velocity distribution and the interface shape during a large sapphire crystal growth process using a heat exchanger method (HEM). In the present study, the energy input to the crucible by the radiation and convection inside the furnace and the energy output through the heat exchanger is modeled by the convection boundary conditions. The effects of the various growth parameters are studied. It is found that the contact angle is obtuse before the solid-melt interface touches the sidewall of the crucible. Therefore, hot spots always appear in this process. The maximum convexity decreases significantly when the cooling-zone radius (RC) increases. The maximum convexity also decreases significantly as the combined convection coefficient inside the furnace (hI) decreases.

  12. A general spectral method for the numerical simulation of one-dimensional interacting fermions

    NASA Astrophysics Data System (ADS)

    Clason, Christian; von Winckel, Gregory

    2012-02-01

    This work introduces a general framework for the direct numerical simulation of systems of interacting fermions in one spatial dimension. The approach is based on a specially adapted nodal spectral Galerkin method, where the basis functions are constructed to obey the antisymmetry relations of fermionic wave functions. An efficient MATLAB program for the assembly of the stiffness and potential matrices is presented, which exploits the combinatorial structure of the sparsity pattern arising from this discretization to achieve optimal run-time complexity. This program allows the accurate discretization of systems with multiple fermions subject to arbitrary potentials, e.g., for verifying the accuracy of multi-particle approximations such as Hartree-Fock in the few-particle limit. It can be used for eigenvalue computations or numerical solutions of the time-dependent Schrödinger equation. Program summaryProgram title: assembleFermiMatrix Catalogue identifier: AEKO_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKO_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 102 No. of bytes in distributed program, including test data, etc.: 2294 Distribution format: tar.gz Programming language: MATLAB Computer: Any architecture supported by MATLAB Operating system: Any supported by MATLAB; tested under Linux (x86-64) and Mac OS X (10.6) RAM: Depends on the data Classification: 4.3, 2.2 Nature of problem: The direct numerical solution of the multi-particle one-dimensional Schrödinger equation in a quantum well is challenging due to the exponential growth in the number of degrees of freedom with increasing particles. Solution method: A nodal spectral Galerkin scheme is used where the basis functions are constructed to obey the antisymmetry relations of the fermionic wave

  13. A three-dimensional, compressible, laminar boundary-layer method for general fuselages. Volume 1: Numerical method

    NASA Technical Reports Server (NTRS)

    Wie, Yong-Sun

    1990-01-01

    A procedure for calculating 3-D, compressible laminar boundary layer flow on general fuselage shapes is described. The boundary layer solutions can be obtained in either nonorthogonal 'body oriented' coordinates or orthogonal streamline coordinates. The numerical procedure is 'second order' accurate, efficient and independent of the cross flow velocity direction. Numerical results are presented for several test cases, including a sharp cone, an ellipsoid of revolution, and a general aircraft fuselage at angle of attack. Comparisons are made between numerical results obtained using nonorthogonal curvilinear 'body oriented' coordinates and streamline coordinates.

  14. Implementation of a multiblock sensitivity analysis method in numerical aerodynamic shape optimization

    NASA Technical Reports Server (NTRS)

    Lacasse, James M.

    1995-01-01

    A multiblock sensitivity analysis method is applied in a numerical aerodynamic shape optimization technique. The Sensitivity Analysis Domain Decomposition (SADD) scheme which is implemented in this study was developed to reduce the computer memory requirements resulting from the aerodynamic sensitivity analysis equations. Discrete sensitivity analysis offers the ability to compute quasi-analytical derivatives in a more efficient manner than traditional finite-difference methods, which tend to be computationally expensive and prone to inaccuracies. The direct optimization procedure couples CFD analysis based on the two-dimensional thin-layer Navier-Stokes equations with a gradient-based numerical optimization technique. The linking mechanism is the sensitivity equation derived from the CFD discretized flow equations, recast in adjoint form, and solved using direct matrix inversion techniques. This investigation is performed to demonstrate an aerodynamic shape optimization technique on a multiblock domain and its applicability to complex geometries. The objectives are accomplished by shape optimizing two aerodynamic configurations. First, the shape optimization of a transonic airfoil is performed to investigate the behavior of the method in highly nonlinear flows and the effect of different grid blocking strategies on the procedure. Secondly, shape optimization of a two-element configuration in subsonic flow is completed. Cases are presented for this configuration to demonstrate the effect of simultaneously reshaping interfering elements. The aerodynamic shape optimization is shown to produce supercritical type airfoils in the transonic flow from an initially symmetric airfoil. Multiblocking effects the path of optimization while providing similar results at the conclusion. Simultaneous reshaping of elements is shown to be more effective than individual element reshaping due to the inclusion of mutual interference effects.

  15. Aerothermal modeling program. Phase 2, element A: Improved numerical methods for turbulent viscous recirculating flows

    NASA Technical Reports Server (NTRS)

    Karki, K. C.; Mongia, H. C.; Patankar, Suhas V.; Runchal, A. K.

    1987-01-01

    The objective of this effort is to develop improved numerical schemes for predicting combustor flow fields. Various candidate numerical schemes were evaluated, and promising schemes were selected for detailed assessment. The criteria for evaluation included accuracy, computational efficiency, stability, and ease of extension to multidimensions. The candidate schemes were assessed against a variety of simple one- and two-dimensional problems. These results led to the selection of the following schemes for further evaluation: flux spline schemes (linear and cubic) and controlled numerical diffusion with internal feedback (CONDIF). The incorporation of the flux spline scheme and direct solution strategy in a computer program for three-dimensional flows is in progress.

  16. An efficient ensemble of radial basis functions method based on quadratic programming

    NASA Astrophysics Data System (ADS)

    Shi, Renhe; Liu, Li; Long, Teng; Liu, Jian

    2016-07-01

    Radial basis function (RBF) surrogate models have been widely applied in engineering design optimization problems to approximate computationally expensive simulations. Ensemble of radial basis functions (ERBF) using the weighted sum of stand-alone RBFs improves the approximation performance. To achieve a good trade-off between the accuracy and efficiency of the modelling process, this article presents a novel efficient ERBF method to determine the weights through solving a quadratic programming subproblem, denoted ERBF-QP. Several numerical benchmark functions are utilized to test the performance of the proposed ERBF-QP method. The results show that ERBF-QP can significantly improve the modelling efficiency compared with several existing ERBF methods. Moreover, ERBF-QP also provides satisfactory performance in terms of approximation accuracy. Finally, the ERBF-QP method is applied to a satellite multidisciplinary design optimization problem to illustrate its practicality and effectiveness for real-world engineering applications.

  17. Genomic DNA microextraction: a method to screen numerous samples.

    PubMed

    Ramírez-Solis, R; Rivera-Pérez, J; Wallace, J D; Wims, M; Zheng, H; Bradley, A

    1992-03-01

    Many experimental designs require the analysis of genomic DNA from a large number of samples. Although the polymerase chain reaction (PCR) can be used, the Southern blot is preferred for many assays because of its inherent reliability. The rapid acceptance of PCR, despite a significant rate of false positive/negative results, is partly due to the disadvantages of the sample preparation process for Southern blot analysis. We have devised a rapid protocol to extract high-molecular-weight genomic DNA from a large number of samples. It involves the use of a single 96-well tissue culture dish to carry out all the steps of the sample preparation. This, coupled with the use of a multichannel pipette, facilitates the simultaneous analysis of multiple samples. The procedure may be automated since no centrifugation, mixing, or transferring of the samples is necessary. The method has been used to screen embryonic stem cell clones for the presence of targeted mutations at the Hox-2.6 locus and to obtain data from human blood.

  18. A comparative study of divergence cleaning methods of magnetic field in the solar coronal numerical simulation

    NASA Astrophysics Data System (ADS)

    Feng, Xueshang; Zhang, Man

    2016-03-01

    This paper presents a comparative study of divergence cleaning methods of magnetic field in the solar coronal three-dimensional numerical simulation. For such purpose, the diffusive method, projection method, generalized Lagrange multiplier method and constrained-transport method are used. All these methods are combined with a finite-volume scheme based on a six-component grid system in spherical coordinates. In order to see the performance between the four divergence cleaning methods, solar coronal numerical simulation for Carrington rotation 2056 has been studied. Numerical results show that the average relative divergence error is around 10^{-4.5} for the constrained-transport method, while about 10^{-3.1}- 10^{-3.6} for the other three methods. Although there exist some differences in the average relative divergence errors for the four employed methods, our tests show they can all produce basic structured solar wind.

  19. Efficient simulation of stochastic chemical kinetics with the Stochastic Bulirsch-Stoer extrapolation method

    PubMed Central

    2014-01-01

    Background Biochemical systems with relatively low numbers of components must be simulated stochastically in order to capture their inherent noise. Although there has recently been considerable work on discrete stochastic solvers, there is still a need for numerical methods that are both fast and accurate. The Bulirsch-Stoer method is an established method for solving ordinary differential equations that possesses both of these qualities. Results In this paper, we present the Stochastic Bulirsch-Stoer method, a new numerical method for simulating discrete chemical reaction systems, inspired by its deterministic counterpart. It is able to achieve an excellent efficiency due to the fact that it is based on an approach with high deterministic order, allowing for larger stepsizes and leading to fast simulations. We compare it to the Euler τ-leap, as well as two more recent τ-leap methods, on a number of example problems, and find that as well as being very accurate, our method is the most robust, in terms of efficiency, of all the methods considered in this paper. The problems it is most suited for are those with increased populations that would be too slow to simulate using Gillespie’s stochastic simulation algorithm. For such problems, it is likely to achieve higher weak order in the moments. Conclusions The Stochastic Bulirsch-Stoer method is a novel stochastic solver that can be used for fast and accurate simulations. Crucially, compared to other similar methods, it better retains its high accuracy when the timesteps are increased. Thus the Stochastic Bulirsch-Stoer method is both computationally efficient and robust. These are key properties for any stochastic numerical method, as they must typically run many thousands of simulations. PMID:24939084

  20. Efficient rational Chebyshev pseudo-spectral method with domain decomposition for optical waveguides modal analysis.

    PubMed

    Abdrabou, Amgad; Heikal, A M; Obayya, S S A

    2016-05-16

    We propose an accurate and computationally efficient rational Chebyshev multi-domain pseudo-spectral method (RC-MDPSM) for modal analysis of optical waveguides. For the first time, we introduce rational Chebyshev basis functions to efficiently handle semi-infinite computational subdomains. In addition, the efficiency of these basis functions is enhanced by employing an optimized algebraic map; thus, eliminating the use of PML-like absorbing boundary conditions. For leaky modes, we derived a leaky modes boundary condition at the guide-substrate interface providing an efficient technique to accurately model leaky modes with very small refractive index imaginary part. The efficiency and numerical precision of our technique are demonstrated through the analysis of high-index contrast dielectric and plasmonic waveguides, and the highly-leaky ARROW structure; where finding ARROW leaky modes using our technique clearly reflects its robustness.

  1. Numerical Quadrature and Operator Splitting in Finite Element Methods for Cardiac Electrophysiology

    PubMed Central

    Krishnamoorthi, Shankarjee; Sarkar, Mainak; Klug, William S.

    2015-01-01

    SUMMARY We examine carefully the numerical accuracy and computational efficiency of alternative formulations of the finite-element solution procedure for the mono-domain equations of cardiac electrophysiology (EP), focusing on the interaction of spatial quadrature implementations with operator splitting, examining both nodal and Gauss quadrature methods, and implementations that mix nodal storage of state variables with Gauss quadrature. We evaluate the performance of all possible combinations of “lumped” approximations of consistent capacitance and mass matrices. Most generally we find that quadrature schemes and lumped approximations that produce decoupled nodal ionic equations allow for the greatest computational efficiency, this being afforded through the use of asynchronous adaptive time-stepping of the ionic state-variable ODEs. We identify two lumped approximation schemes that exhibit superior accuracy, rivaling that of the most expensive variationally consistent implementations. Finally we illustrate some of the physiological consequences of discretization error in EP simulation relevant to cardiac arrhythmia and fibrillation. These results suggest caution with the use of semi-automated free-form tetrahedral and hexahedral meshing algorithms available in most commercially available meshing software, which produce non-uniform meshes having a large distribution of element sizes. PMID:23873868

  2. An Efficient Inverse Aerodynamic Design Method For Subsonic Flows

    NASA Technical Reports Server (NTRS)

    Milholen, William E., II

    2000-01-01

    Computational Fluid Dynamics based design methods are maturing to the point that they are beginning to be used in the aircraft design process. Many design methods however have demonstrated deficiencies in the leading edge region of airfoil sections. The objective of the present research is to develop an efficient inverse design method which is valid in the leading edge region. The new design method is a streamline curvature method, and a new technique is presented for modeling the variation of the streamline curvature normal to the surface. The new design method allows the surface coordinates to move normal to the surface, and has been incorporated into the Constrained Direct Iterative Surface Curvature (CDISC) design method. The accuracy and efficiency of the design method is demonstrated using both two-dimensional and three-dimensional design cases.

  3. A Numerical Method for Simulating the Microscopic Damage Evolution in Composites Under Uniaxial Transverse Tension

    NASA Astrophysics Data System (ADS)

    Zhi, Jie; Zhao, Libin; Zhang, Jianyu; Liu, Zhanli

    2016-06-01

    In this paper, a new numerical method that combines a surface-based cohesive model and extended finite element method (XFEM) without predefining the crack paths is presented to simulate the microscopic damage evolution in composites under uniaxial transverse tension. The proposed method is verified to accurately capture the crack kinking into the matrix after fiber/matrix debonding. A statistical representative volume element (SRVE) under periodic boundary conditions is used to approximate the microstructure of the composites. The interface parameters of the cohesive models are investigated, in which the initial interface stiffness has a great effect on the predictions of the fiber/matrix debonding. The detailed debonding states of SRVE with strong and weak interfaces are compared based on the surface-based and element-based cohesive models. The mechanism of damage in composites under transverse tension is described as the appearance of the interface cracks and their induced matrix micro-cracking, both of which coalesce into transversal macro-cracks. Good agreement is found between the predictions of the model and the in situ experimental observations, demonstrating the efficiency of the presented model for simulating the microscopic damage evolution in composites.

  4. Numerical Study of Granular Scaffold Efficiency to Convert Fluid Flow into Mechanical Stimulation in Bone Tissue Engineering.

    PubMed

    Cruel, Magali; Bensidhoum, Morad; Nouguier-Lehon, Cécile; Dessombz, Olivier; Becquart, Pierre; Petite, Hervé; Hoc, Thierry

    2015-09-01

    Controlling the mechanical environment in bioreactors represents a key element in the reactors' optimization. Positive effects of fluid flow in three-dimensional bioreactors have been observed, but local stresses at cell scale remain unknown. These effects led to the development of numerical tools to assess the micromechanical environment of cells in bioreactors. Recently, new possible scaffold geometry has emerged: granular packings. In the present study, the primary goal was to compare the efficiency of such a scaffold to the other ones from literature in terms of wall shear stress levels and distributions. To that aim, three different types of granular packings were generated through discrete element method, and computational fluid dynamics was used to simulate the flow within these packings. Shear stress levels and distributions were determined. A linear relationship between shear stress and inlet velocity was observed, and its slope was similar to published data. The distributions of normalized stress were independent of the inlet velocity and were highly comparable to those of widely used porous scaffolds. Granular packings present similar features to more classical porous scaffolds and have the advantage of being easy to manipulate and seed. The methods of this work are generalizable to the study of other granular packing configurations.

  5. BWR Full Integral Simulation Test (FIST) Program. TRAC-BWR model development. Volume 1. Numerical methods

    SciTech Connect

    Heck, C.L.; Andersen, J.G.M.

    1985-11-01

    A complete technical basis for implementation of the 3-D fast numerics in TRACB04 is presented. The 3-D fast numerics is a generalization of the predictor/corrector method previously developed for the 1-D components in TRACB. 20 figs.

  6. Efficient numerical solution of acoustic scattering from doubly-periodic arrays of axisymmetric objects

    NASA Astrophysics Data System (ADS)

    Liu, Yuxiang; Barnett, Alex H.

    2016-11-01

    We present a high-order accurate boundary-based solver for three-dimensional (3D) frequency-domain scattering from a doubly-periodic grating of smooth axisymmetric sound-hard or transmission obstacles. We build the one-obstacle solution operator using separation into P azimuthal modes via the FFT, the method of fundamental solutions (with N proxy points lying on a curve), and dense direct least-squares solves; the effort is O (N3 P) with a small constant. Periodizing then combines fast multipole summation of nearest neighbors with an auxiliary global Helmholtz basis expansion to represent the distant contributions, and enforcing quasiperiodicity and radiation conditions on the unit cell walls. Eliminating the auxiliary coefficients, and preconditioning with the one-obstacle solution operator, leaves a well-conditioned square linear system that is solved iteratively. The solution time per incident wave is then O (NP) at fixed frequency. Our scheme avoids singular quadratures, periodic Green's functions, and lattice sums, and its convergence rate is unaffected by resonances within obstacles. We include numerical examples such as scattering from a grating of period 13 λ × 13 λ comprising highly-resonant sound-hard "cups" each needing NP = 64800 surface unknowns, to 10-digit accuracy, in half an hour on a desktop.

  7. Numerical methods for a Poisson-Nernst-Planck-Fermi model of biological ion channels.

    PubMed

    Liu, Jinn-Liang; Eisenberg, Bob

    2015-07-01

    Numerical methods are proposed for an advanced Poisson-Nernst-Planck-Fermi (PNPF) model for studying ion transport through biological ion channels. PNPF contains many more correlations than most models and simulations of channels, because it includes water and calculates dielectric properties consistently as outputs. This model accounts for the steric effect of ions and water molecules with different sizes and interstitial voids, the correlation effect of crowded ions with different valences, and the screening effect of polarized water molecules in an inhomogeneous aqueous electrolyte. The steric energy is shown to be comparable to the electrical energy under physiological conditions, demonstrating the crucial role of the excluded volume of particles and the voids in the natural function of channel proteins. Water is shown to play a critical role in both correlation and steric effects in the model. We extend the classical Scharfetter-Gummel (SG) method for semiconductor devices to include the steric potential for ion channels, which is a fundamental physical property not present in semiconductors. Together with a simplified matched interface and boundary (SMIB) method for treating molecular surfaces and singular charges of channel proteins, the extended SG method is shown to exhibit important features in flow simulations such as optimal convergence, efficient nonlinear iterations, and physical conservation. The generalized SG stability condition shows why the standard discretization (without SG exponential fitting) of NP equations may fail and that divalent Ca(2+) may cause more unstable discrete Ca(2+) fluxes than that of monovalent Na(+). Two different methods-called the SMIB and multiscale methods-are proposed for two different types of channels, namely, the gramicidin A channel and an L-type calcium channel, depending on whether water is allowed to pass through the channel. Numerical methods are first validated with constructed models whose exact solutions are

  8. A study of numerical methods for hyperbolic conservation laws with stiff source terms

    NASA Technical Reports Server (NTRS)

    Leveque, R. J.; Yee, H. C.

    1988-01-01

    The proper modeling of nonequilibrium gas dynamics is required in certain regimes of hypersonic flow. For inviscid flow this gives a system of conservation laws coupled with source terms representing the chemistry. Often a wide range of time scales is present in the problem, leading to numerical difficulties as in stiff systems of ordinary differential equations. Stability can be achieved by using implicit methods, but other numerical difficulties are observed. The behavior of typical numerical methods on a simple advection equation with a parameter-dependent source term was studied. Two approaches to incorporate the source term were utilized: MacCormack type predictor-corrector methods with flux limiters, and splitting methods in which the fluid dynamics and chemistry are handled in separate steps. Various comparisons over a wide range of parameter values were made. In the stiff case where the solution contains discontinuities, incorrect numerical propagation speeds are observed with all of the methods considered. This phenomenon is studied and explained.

  9. Numerical approximation of a nonlinear delay-advance functional differential equation by a finite element method

    NASA Astrophysics Data System (ADS)

    Teodoro, M. F.

    2012-09-01

    We are particularly interested in the numerical solution of the functional differential equations with symmetric delay and advance. In this work, we consider a nonlinear forward-backward equation, the Fitz Hugh-Nagumo equation. It is presented a scheme which extends the algorithm introduced in [1]. A computational method using Newton's method, finite element method and method of steps is developped.

  10. [Methods optimizing the efficiency of the extracorporeal shockwave lithotripsy (ESWL)].

    PubMed

    Bonev, K; Panchev, P; Simeonov, P

    2007-01-01

    The medicine science is in a progressive mode. One of the ever discussed problems is the stone kidney disease and the optimizing methods of its treatment. In this article the authors announced a new method of applying jelly, thus improving the efficiency of the Extracorporeal Shockwave Lithotripsy (ESWL).

  11. Conservation properties of numerical integration methods for systems of ordinary differential equations

    NASA Technical Reports Server (NTRS)

    Rosenbaum, J. S.

    1976-01-01

    If a system of ordinary differential equations represents a property conserving system that can be expressed linearly (e.g., conservation of mass), it is then desirable that the numerical integration method used conserve the same quantity. It is shown that both linear multistep methods and Runge-Kutta methods are 'conservative' and that Newton-type methods used to solve the implicit equations preserve the inherent conservation of the numerical method. It is further shown that a method used by several authors is not conservative.

  12. A fifth order implicit method for the numerical solution of differential-algebraic equations

    NASA Astrophysics Data System (ADS)

    Skvortsov, L. M.

    2015-06-01

    An implicit two-step Runge-Kutta method of fifth order is proposed for the numerical solution of differential and differential-algebraic equations. The location of nodes in this method makes it possible to estimate the values of higher derivatives at the initial and terminal points of an integration step. Consequently, the proposed method can be regarded as a finite-difference analog of the Obrechkoff method. Numerical results, some of which are presented in this paper, show that our method preserves its order while solving stiff equations and equations of indices two and three. This is the main advantage of the proposed method as compared with the available ones.

  13. Assessment of an efficient numerical solution of the 1D Richards' equation on bare soil

    NASA Astrophysics Data System (ADS)

    Varado, N.; Braud, I.; Ross, P. J.; Haverkamp, R.

    2006-05-01

    A new numerical scheme has been proposed by Ross [Ross, P.J., 2003. Modeling soil water and solute transport—fast, simplified numerical solutions. Agronomy Journal 95, 1352-1361] to solve the 1D Richards' equation [Richards, L.A., 1931. Capillary conduction of liquids through porous medium. Physics 1, 318-333]. This non-iterative solution uses the description of soil properties proposed by Brooks and Corey [Brooks, R.H., Corey, A.T., 1964. Hydraulic properties of porous media. Colorado State University, Fort Collins]. It allows the derivation of an analytical expression for the Kirchhoff potential used in the calculation of water fluxes. The degree of saturation is used as the dependent variable when the soil is unsaturated and the Kirchhoff potential is used in case of saturation. A space and time discretisation scheme leads to a tridiagonal set of linear equations that is solved non-iteratively. We propose in this paper an extensive test of this numerical method, evaluated only on a single case by Ross. The tests are conducted in two steps. First, the solution is assessed against two analytical solutions. The first one [Basha, H.A., 1999. Multidimensional linearized nonsteady infiltration with prescribed boundary conditions at the soil surface. Water Resources Research 35(1), 75-93] provides the water content profile when simplified soil characteristics such as the exponential law of Gardner [Gardner, W.R., 1958. Some steady-state solutions of the unsaturated moisture flow equations with application to evaporation from a water table. Soil Science 85, 228-232] are used. The Ross solution is compared to this solution on eight different soils that were fitted to this law. Analytical solution with the Brooks and Corey models is not available at the moment for the moisture profile but some exist for cumulative infiltration. Therefore, the second analytical solution, used in this study, is the one developed by Parlange et al. [Parlange, J.-Y., Haverkamp, R., Touma, J

  14. Novel method of manufacturing hydrogen storage materials combining with numerical analysis based on discrete element method

    NASA Astrophysics Data System (ADS)

    Zhao, Xuzhe

    High efficiency hydrogen storage method is significant in development of fuel cell vehicle. Seeking for a high energy density material as the fuel becomes the key of wide spreading fuel cell vehicle. LiBH4 + MgH 2 system is a strong candidate due to their high hydrogen storage density and the reaction between them is reversible. However, LiBH4 + MgH 2 system usually requires the high temperature and hydrogen pressure for hydrogen release and uptake reaction. In order to reduce the requirements of this system, nanoengineering is the simple and efficient method to improve the thermodynamic properties and reduce kinetic barrier of reaction between LiBH4 and MgH2. Based on ab initio density functional theory (DFT) calculations, the previous study has indicated that the reaction between LiBH4 and MgH2 can take place at temperature near 200°C or below. However, the predictions have been shown to be inconsistent with many experiments. Therefore, it is the first time that our experiment using ball milling with aerosol spraying (BMAS) to prove the reaction between LiBH4 and MgH2 can happen during high energy ball milling at room temperature. Through this BMAS process we have found undoubtedly the formation of MgB 2 and LiH during ball milling of MgH2 while aerosol spraying of the LiBH4/THF solution. Aerosol nanoparticles from LiBH 4/THF solution leads to form Li2B12H12 during BMAS process. The Li2B12H12 formed then reacts with MgH2 in situ during ball milling to form MgB 2 and LiH. Discrete element modeling (DEM) is a useful tool to describe operation of various ball milling processes. EDEM is software based on DEM to predict power consumption, liner and media wear and mill output. In order to further improve the milling efficiency of BMAS process, EDEM is conducted to make analysis for complicated ball milling process. Milling speed and ball's filling ratio inside the canister as the variables are considered to determine the milling efficiency. The average and maximum

  15. A numerical method for approximating antenna surfaces defined by discrete surface points

    NASA Technical Reports Server (NTRS)

    Lee, R. Q.; Acosta, R.

    1985-01-01

    A simple numerical method for the quadratic approximation of a discretely defined reflector surface is described. The numerical method was applied to interpolate the surface normal of a parabolic reflector surface from a grid of nine closest surface points to the point of incidence. After computing the surface normals, the geometrical optics and the aperture integration method using the discrete Fast Fourier Transform (FFT) were applied to compute the radiaton patterns for a symmetric and an offset antenna configurations. The computed patterns are compared to that of the analytic case and to the patterns generated from another numerical technique using the spline function approximation. In the paper, examples of computations are given. The accuracy of the numerical method is discussed.

  16. Novel Methods for 3D Numerical Simulation of Meteor Radar Reflections

    NASA Astrophysics Data System (ADS)

    Räbinä, J.; Mönkölä, S.; Rossi, T.; Markkanen, J.; Gritsevich, M.; Muinonen, K.

    2016-08-01

    We model the radar reflections in a three-dimensional space as time-harmonic electromagnetic scattering from plasmatic obstacles. We introduce two novel methods for numerical simulation of meteor radar reflections.

  17. Efficient positioning of absorbing material in complex systems by using the Patch Transfer Function method

    NASA Astrophysics Data System (ADS)

    Totaro, N.; Guyader, J. L.

    2012-06-01

    Given the need to decrease energy consumption in the automobile industry, vehicle weight has become an important issue. Regarding acoustic comfort, the weight of noise reduction devices must be minimized inside vehicle compartments. Consequently, these devices, for example those using poro-elastic materials, must be designed carefully to maximize their influence on noise reduction. The present paper describes a method developed to obtain an efficient positioning of a given surface (or mass) of absorbing material characterized by its surface impedance. This technique is based on the Patch Transfer Function method used to couple complex vibro-acoustic sub-domains and which has been successfully applied in the European ViSPeR and Silence projects. First, a numerical analysis of the possibilities of this method is performed on a non-rectangular cavity with rigid walls after which an experimental validation of this numerical analysis is performed to evaluate the accuracy of the method under real conditions.

  18. Numerical simulation of electromagnetic acoustic transducers using distributed point source method.

    PubMed

    Eskandarzade, M; Kundu, T; Liebeaux, N; Placko, D; Mobadersani, F

    2010-05-01

    In spite of many advances in analytical and numerical modeling techniques for solving different engineering problems, an efficient solution technique for wave propagation modeling of an electromagnetic acoustic transducer (EMAT) system is still missing. Distributed point source method (DPSM) is a newly developed semi-analytical technique developed since 2000 by Placko and Kundu (2007) [12] that is very powerful and straightforward for solving various engineering problems, including acoustic and electromagnetic modeling problems. In this study DPSM has been employed to model the Lorentz type EMAT with a meander line and flat spiral type coil. The problem of wave propagation has been solved and eddy currents and Lorentz forces have been calculated. The displacement field has been obtained as well. While modeling the Lorentz force the effect of dynamic magnetic field has been considered that most current analyses ignore. Results from this analysis have been compared with the finite element method (FEM) based predictions. It should be noted that with the current state of knowledge this problem can be solved only by FEM.

  19. A Method for Determining Optimal Residential Energy Efficiency Packages

    SciTech Connect

    Polly, B.; Gestwick, M.; Bianchi, M.; Anderson, R.; Horowitz, S.; Christensen, C.; Judkoff, R.

    2011-04-01

    This report describes an analysis method for determining optimal residential energy efficiency retrofit packages and, as an illustrative example, applies the analysis method to a 1960s-era home in eight U.S. cities covering a range of International Energy Conservation Code (IECC) climate regions. The method uses an optimization scheme that considers average energy use (determined from building energy simulations) and equivalent annual cost to recommend optimal retrofit packages specific to the building, occupants, and location.

  20. On time discretizations for spectral methods. [numerical integration of Fourier and Chebyshev methods for dynamic partial differential equations

    NASA Technical Reports Server (NTRS)

    Gottlieb, D.; Turkel, E.

    1980-01-01

    New methods are introduced for the time integration of the Fourier and Chebyshev methods of solution for dynamic differential equations. These methods are unconditionally stable, even though no matrix inversions are required. Time steps are chosen by accuracy requirements alone. For the Fourier method both leapfrog and Runge-Kutta methods are considered. For the Chebyshev method only Runge-Kutta schemes are tested. Numerical calculations are presented to verify the analytic results. Applications to the shallow water equations are presented.

  1. Impact of Energy Slope Averaging Methods on Numerical Solution of 1D Steady Gradually Varied Flow

    NASA Astrophysics Data System (ADS)

    Artichowicz, Wojciech; Prybytak, Dzmitry

    2015-12-01

    In this paper, energy slope averaging in the one-dimensional steady gradually varied flow model is considered. For this purpose, different methods of averaging the energy slope between cross-sections are used. The most popular are arithmetic, geometric, harmonic and hydraulic means. However, from the formal viewpoint, the application of different averaging formulas results in different numerical integration formulas. This study examines the basic properties of numerical methods resulting from different types of averaging.

  2. Numerical methods for a Poisson-Nernst-Planck-Fermi model of biological ion channels

    NASA Astrophysics Data System (ADS)

    Liu, Jinn-Liang; Eisenberg, Bob

    2015-07-01

    Numerical methods are proposed for an advanced Poisson-Nernst-Planck-Fermi (PNPF) model for studying ion transport through biological ion channels. PNPF contains many more correlations than most models and simulations of channels, because it includes water and calculates dielectric properties consistently as outputs. This model accounts for the steric effect of ions and water molecules with different sizes and interstitial voids, the correlation effect of crowded ions with different valences, and the screening effect of polarized water molecules in an inhomogeneous aqueous electrolyte. The steric energy is shown to be comparable to the electrical energy under physiological conditions, demonstrating the crucial role of the excluded volume of particles and the voids in the natural function of channel proteins. Water is shown to play a critical role in both correlation and steric effects in the model. We extend the classical Scharfetter-Gummel (SG) method for semiconductor devices to include the steric potential for ion channels, which is a fundamental physical property not present in semiconductors. Together with a simplified matched interface and boundary (SMIB) method for treating molecular surfaces and singular charges of channel proteins, the extended SG method is shown to exhibit important features in flow simulations such as optimal convergence, efficient nonlinear iterations, and physical conservation. The generalized SG stability condition shows why the standard discretization (without SG exponential fitting) of NP equations may fail and that divalent Ca2 + may cause more unstable discrete Ca2 + fluxes than that of monovalent Na+. Two different methods—called the SMIB and multiscale methods—are proposed for two different types of channels, namely, the gramicidin A channel and an L-type calcium channel, depending on whether water is allowed to pass through the channel. Numerical methods are first validated with constructed models whose exact solutions are

  3. Numerical Investigation of Effect of Stirring Blades on Mixing Efficiency of a Planetary Kneading Mixer with Non-Newtonian and Viscoplastic Materials

    NASA Astrophysics Data System (ADS)

    Yi, Pengxing; Hu, Youmin; Liu, Shiyuan

    2008-07-01

    Methods to visualize and analyze the mixing process happening in the planetary kneading mixers, which are used to mix Non-Newtonian and viscoplastic fluid, are proposed. These methods include developing three-dimensional model of the stirring blades, establishing the physical and mathematical models of the flow field in the mixing tank of the planetary kneading mixers, determining the boundary conditions of numerical simulation be virtue of rheological theory and rules, and deeply investigating the characteristics of velocity field and flow pattern of the mixing field numerically simulated by using CFD software. On the other hand, some mixing efficiency evaluating indexes for this type of mixers and their calculating methods are proposed. Based on above mentioned methods, the relationship of the geometrical parameters of stirring blades and the mixing efficiency of the planetary kneading mixers was investigated. The investigating results illustrate that preferable mixing efficiency can be achieved when the value of the helix angle, mounting central distance and mounting clearance of the stirring blades are chosen properly.

  4. An efficient method for evaluating RRAM crossbar array performance

    NASA Astrophysics Data System (ADS)

    Song, Lin; Zhang, Jinyu; Chen, An; Wu, Huaqiang; Qian, He; Yu, Zhiping

    2016-06-01

    An efficient method is proposed in this paper to mitigate computational burden in resistive random access memory (RRAM) array simulation. In the worst case scenario, a 4 Mb RRAM array with line resistance is greatly reduced using this method. For 1S1R-RRAM array structures, static and statistical parameters in both reading and writing processes are simulated. Error analysis is performed to prove the reliability of the algorithm when line resistance is extremely small compared with the junction resistance. Results show that high precision is maintained even if the size of RRAM array is reduced by one thousand times, which indicates significant improvements in both computational efficiency and memory requirements.

  5. Time-optimal control of the race car: a numerical method to emulate the ideal driver

    NASA Astrophysics Data System (ADS)

    Kelly, D. P.; Sharp, R. S.

    2010-12-01

    A numerical method for the time-optimal control of the race car is presented. The method is then used to perform the role of the driver in numerical simulations of manoeuvres at the limit of race car performance. The method does not attempt to model the driver but rather replaces the driver with methods normally associated with numerical optimal control. The method simultaneously finds the optimal driven line and the driver control inputs (steer, throttle and brake) to drive this line in minimum time. In principle, the method is capable of operation with arbitrarily complex vehicle models as it requires only limited access to the vehicle model state vector. It also requires solution of the differential equation representing the vehicle model in only the forward time direction and is hence capable of simulating the full vehicle transient response.

  6. Numerical method for estimating the size of chaotic regions of phase space

    SciTech Connect

    Henyey, F.S.; Pomphrey, N.

    1987-10-01

    A numerical method for estimating irregular volumes of phase space is derived. The estimate weights the irregular area on a surface of section with the average return time to the section. We illustrate the method by application to the stadium and oval billiard systems and also apply the method to the continuous Henon-Heiles system. 15 refs., 10 figs. (LSP)

  7. Numerical simulations of blast-impact problems using the direct simulation Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Sharma, Anupam

    There is an increasing need to design protective structures that can withstand or mitigate the impulsive loading due to the impact of a blast or a shock wave. A preliminary step in designing such structures is the prediction of the pressure loading on the structure. This is called the "load definition." This thesis is focused on a numerical approach to predict the load definition on arbitrary geometries for a given strength of the incident blast/shock wave. A particle approach, namely the Direct Simulation Monte Carlo (DSMC) method, is used as the numerical model. A three-dimensional, time-accurate DSMC flow solver is developed as a part of this study. Embedded surfaces, modeled as triangulations, are used to represent arbitrary-shaped structures. Several techniques to improve the computational efficiency of the algorithm of particle-structure interaction are presented. The code is designed using the Object Oriented Programming (OOP) paradigm. Domain decomposition with message passing is used to solve large problems in parallel. The solver is extensively validated against analytical results and against experiments. Two kinds of geometries, a box and an I-shaped beam are investigated for blast impact. These simulations are performed in both two- and three-dimensions. A major portion of the thesis is dedicated to studying the uncoupled fluid dynamics problem where the structure is assumed to remain stationary and intact during the simulation. A coupled, fluid-structure dynamics problem is solved in one spatial dimension using a simple, spring-mass-damper system to model the dynamics of the structure. A parametric study, by varying the mass, spring constant, and the damping coefficient, to study their effect on the loading and the displacement of the structure is also performed. Finally, the parallel performance of the solver is reported for three sample-size problems on two Beowulf clusters.

  8. Numerical solution of multi-dimensional compressible reactive flow using a parallel wavelet adaptive multi-resolution method

    NASA Astrophysics Data System (ADS)

    Grenga, Temistocle

    The aim of this research is to further develop a dynamically adaptive algorithm based on wavelets that is able to solve efficiently multi-dimensional compressible reactive flow problems. This work demonstrates the great potential for the method to perform direct numerical simulation (DNS) of combustion with detailed chemistry and multi-component diffusion. In particular, it addresses the performance obtained using a massive parallel implementation and demonstrates important savings in memory storage and computational time over conventional methods. In addition, fully-resolved simulations of challenging three dimensional problems involving mixing and combustion processes are performed. These problems are particularly challenging due to their strong multiscale characteristics. For these solutions, it is necessary to combine the advanced numerical techniques applied to modern computational resources.

  9. Comparing models of rapidly rotating relativistic stars constructed by two numerical methods

    NASA Astrophysics Data System (ADS)

    Stergioulas, Nikolaos; Friedman, John L.

    1995-05-01

    We present the first direct comparison of codes based on two different numerical methods for constructing rapidly rotating relativistic stars. A code based on the Komatsu-Eriguchi-Hachisu (KEH) method (Komatsu et al. 1989), written by Stergioulas, is compared to the Butterworth-Ipser code (BI), as modified by Friedman, Ipser, & Parker. We compare models obtained by each method and evaluate the accuracy and efficiency of the two codes. The agreement is surprisingly good, and error bars in the published numbers for maximum frequencies based on BI are dominated not by the code inaccuracy but by the number of models used to approximate a continuous sequence of stars. The BI code is faster per iteration, and it converges more rapidly at low density, while KEH converges more rapidly at high density; KEH also converges in regions where BI does not, allowing one to compute some models unstable against collapse that are inaccessible to the BI code. A relatively large discrepancy recently reported (Eriguchi et al. 1994) for models based on Friedman-Pandharipande equation of state is found to arise from the use of two different versions of the equation of state. For two representative equations of state, the two-dimensional space of equilibrium configurations is displayed as a surface in a three-dimensional space of angular momentum, mass, and central density. We find, for a given equation of state, that equilibrium models with maximum values of mass, baryon mass, and angular momentum are (generically) either all unstable to collapse or are all stable. In the first case, the stable model with maximum angular velocity is also the model with maximum mass, baryon mass, and angular momentum. In the second case, the stable models with maximum values of these quantities are all distinct. Our implementation of the KEH method will be available as a public domain program for interested users.

  10. Implicit methods for efficient musculoskeletal simulation and optimal control

    PubMed Central

    van den Bogert, Antonie J.; Blana, Dimitra; Heinrich, Dieter

    2011-01-01

    The ordinary differential equations for musculoskeletal dynamics are often numerically stiff and highly nonlinear. Consequently, simulations require small time steps, and optimal control problems are slow to solve and have poor convergence. In this paper, we present an implicit formulation of musculoskeletal dynamics, which leads to new numerical methods for simulation and optimal control, with the expectation that we can mitigate some of these problems. A first order Rosenbrock method was developed for solving forward dynamic problems using the implicit formulation. It was used to perform real-time dynamic simulation of a complex shoulder arm system with extreme dynamic stiffness. Simulations had an RMS error of only 0.11 degrees in joint angles when running at real-time speed. For optimal control of musculoskeletal systems, a direct collocation method was developed for implicitly formulated models. The method was applied to predict gait with a prosthetic foot and ankle. Solutions were obtained in well under one hour of computation time and demonstrated how patients may adapt their gait to compensate for limitations of a specific prosthetic limb design. The optimal control method was also applied to a state estimation problem in sports biomechanics, where forces during skiing were estimated from noisy and incomplete kinematic data. Using a full musculoskeletal dynamics model for state estimation had the additional advantage that forward dynamic simulations, could be done with the same implicitly formulated model to simulate injuries and perturbation responses. While these methods are powerful and allow solution of previously intractable problems, there are still considerable numerical challenges, especially related to the convergence of gradient-based solvers. PMID:22102983

  11. Implicit methods for efficient musculoskeletal simulation and optimal control.

    PubMed

    van den Bogert, Antonie J; Blana, Dimitra; Heinrich, Dieter

    2011-01-01

    The ordinary differential equations for musculoskeletal dynamics are often numerically stiff and highly nonlinear. Consequently, simulations require small time steps, and optimal control problems are slow to solve and have poor convergence. In this paper, we present an implicit formulation of musculoskeletal dynamics, which leads to new numerical methods for simulation and optimal control, with the expectation that we can mitigate some of these problems. A first order Rosenbrock method was developed for solving forward dynamic problems using the implicit formulation. It was used to perform real-time dynamic simulation of a complex shoulder arm system with extreme dynamic stiffness. Simulations had an RMS error of only 0.11 degrees in joint angles when running at real-time speed. For optimal control of musculoskeletal systems, a direct collocation method was developed for implicitly formulated models. The method was applied to predict gait with a prosthetic foot and ankle. Solutions were obtained in well under one hour of computation time and demonstrated how patients may adapt their gait to compensate for limitations of a specific prosthetic limb design. The optimal control method was also applied to a state estimation problem in sports biomechanics, where forces during skiing were estimated from noisy and incomplete kinematic data. Using a full musculoskeletal dynamics model for state estimation had the additional advantage that forward dynamic simulations, could be done with the same implicitly formulated model to simulate injuries and perturbation responses. While these methods are powerful and allow solution of previously intractable problems, there are still considerable numerical challenges, especially related to the convergence of gradient-based solvers.

  12. Efficient kinetic Monte Carlo method for reaction-diffusion problems with spatially varying annihilation rates

    NASA Astrophysics Data System (ADS)

    Schwarz, Karsten; Rieger, Heiko

    2013-03-01

    We present an efficient Monte Carlo method to simulate reaction-diffusion processes with spatially varying particle annihilation or transformation rates as it occurs for instance in the context of motor-driven intracellular transport. Like Green's function reaction dynamics and first-passage time methods, our algorithm avoids small diffusive hops by propagating sufficiently distant particles in large hops to the boundaries of protective domains. Since for spatially varying annihilation or transformation rates the single particle diffusion propagator is not known analytically, we present an algorithm that generates efficiently either particle displacements or annihilations with the correct statistics, as we prove rigorously. The numerical efficiency of the algorithm is demonstrated with an illustrative example.

  13. Numerically efficient angle, width, offset, and discontinuity determination of straight lines by the discrete Fourier-bilinear transformation algorithm.

    PubMed

    Lou, X M; Hassebrook, L G; Lhamon, M E; Li, J

    1997-01-01

    We introduce a new method for determining the number of straight lines, line angles, offsets, widths, and discontinuities in complicated images. In this method, line angles are obtained by searching the peaks of a hybrid discrete Fourier and bilinear transformed line angle spectrum. Numerical advantages and performance are demonstrated.

  14. An efficient surrogate-based method for computing rare failure probability

    NASA Astrophysics Data System (ADS)

    Li, Jing; Li, Jinglai; Xiu, Dongbin

    2011-10-01

    In this paper, we present an efficient numerical method for evaluating rare failure probability. The method is based on a recently developed surrogate-based method from Li and Xiu [J. Li, D. Xiu, Evaluation of failure probability via surrogate models, J. Comput. Phys. 229 (2010) 8966-8980] for failure probability computation. The method by Li and Xiu is of hybrid nature, in the sense that samples of both the surrogate model and the true physical model are used, and its efficiency gain relies on using only very few samples of the true model. Here we extend the capability of the method to rare probability computation by using the idea of importance sampling (IS). In particular, we employ cross-entropy (CE) method, which is an effective method to determine the biasing distribution in IS. We demonstrate that, by combining with the CE method, a surrogate-based IS algorithm can be constructed and is highly efficient for rare failure probability computation—it incurs much reduced simulation efforts compared to the traditional CE-IS method. In many cases, the new method is capable of capturing failure probability as small as 10 -12 ˜ 10 -6 with only several hundreds samples.

  15. Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory

    SciTech Connect

    Lin, Lin; Shao, Sihong; E, Weinan

    2012-11-06

    We present for the first time an efficient iterative method to directly solve the four-component Dirac-Kohn-Sham (DKS) density functional theory. Due to the existence of the negative energy continuum in the DKS operator, the existing iterative techniques for solving the Kohn-Sham systems cannot be efficiently applied to solve the DKS systems. The key component of our method is a novel filtering step (F) which acts as a preconditioner in the framework of the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The resulting method, dubbed the LOBPCG-F method, is able to compute the desired eigenvalues and eigenvectors in the positive energy band without computing any state in the negative energy band. The LOBPCG-F method introduces mild extra cost compared to the standard LOBPCG method and can be easily implemented. We demonstrate our method in the pseudopotential framework with a planewave basis set which naturally satisfies the kinetic balance prescription. Numerical results for Pt$_{2}$, Au$_{2}$, TlF, and Bi$_{2}$Se$_{3}$ indicate that the LOBPCG-F method is a robust and efficient method for investigating the relativistic effect in systems containing heavy elements.

  16. Numerical Methods for a Kohn-Sham Density Functional Model Based on Optimal Transport.

    PubMed

    Chen, Huajie; Friesecke, Gero; Mendl, Christian B

    2014-10-14

    In this paper, we study numerical discretizations to solve density functional models in the "strictly correlated electrons" (SCE) framework. Unlike previous studies, our work is not restricted to radially symmetric densities. In the SCE framework, the exchange-correlation functional encodes the effects of the strong correlation regime by minimizing the pairwise Coulomb repulsion, resulting in an optimal transport problem. We give a mathematical derivation of the self-consistent Kohn-Sham-SCE equations, construct an efficient numerical discretization for this type of problem for N = 2 electrons, and apply it to the H2 molecule in its dissociating limit. PMID:26588133

  17. Numerical Solution of Problems in Calculus of Variations by Homotopy Perturbation Method

    SciTech Connect

    Jafari, M. A.; Aminataei, A.

    2008-09-01

    In this work we use Homotopy Perturbation Method (HPM) to solve differential equations that arise in variational problems. To illustrate the method some examples are provided. The results show the efficiency and accuracy of the HPM. HPM can be considered an alternative method to Adomian decomposition method. Both of these methods can obtain analytic form of the solution in some cases.

  18. An efficient method of noroviruses recovery from oysters and clams

    NASA Astrophysics Data System (ADS)

    Zhou, Deqing; Ma, Liping; Zhao, Feng; Yao, Lin; Su, Laijin; Li, Xinguang

    2013-03-01

    Noroviruses (NoVs) are widespread causes of nonbacterial gastroenteritis. Outbreaks of NoVs caused diseases are commonly ascribed to the consumption of contaminated shellfish. The concentration and RNA extraction of NoVs are crucial steps of detecting NoVs in shellfish. This study aimed to select a simple, rapid and highly efficient recovery method of NoVs detection with real-time RT-PCR. Four methods of recovering GI.3 and GII.4 NoVs from spiked digestive tissues of oysters and clams, respectively, were compared, of them, the method involving proteinase K and PEG 8000 was found the most efficient. With this method, 9.3% and 13.1% of GI.3 and GII.4 NoVs were recovered from oysters and 9.6% and 12.3% of GI.3 and GII.4 NoVs were recovered from clams, respectively. This method was further used to detect NoVs in 84 oysters ( Crassostrea gigas) and 86 clams ( Ruditapes philippinarum) collected from 10 coastal cities in China from Jan. 2011 to Feb. 2012. The NoVs isolation rates were 10.47% of clams (9/86) and 7.14% of oysters (6/84). All the detected NoVs belonged to genotype GII. The NoVs recovery method selected is efficient for NoVs detection in oysters and clams.

  19. Momentum distributions and numerical methods for strongly interacting one-dimensional spinor gases

    NASA Astrophysics Data System (ADS)

    Deuretzbacher, F.; Becker, D.; Santos, L.

    2016-08-01

    One-dimensional spinor gases with strong δ interaction fermionize and form a spin chain. The spatial degrees of freedom of this atom chain can be described by a mapping to spinless noninteracting fermions and the spin degrees of freedom are described by a spin-chain model with nearest-neighbor interactions. Here, we compute momentum and occupation-number distributions of up to 16 strongly interacting spinor fermions and bosons as a function of their spin imbalance, the strength of an externally applied magnetic field gradient, the length of their spin, and for different excited states of the multiplet. We show that the ground-state momentum distributions resemble those of the corresponding noninteracting systems, apart from flat background distributions, which extend to high momenta. Moreover, we show that the spin order of the spin chain—in particular antiferromagnetic spin order—may be deduced from the momentum and occupation-number distributions of the system. Finally, we present efficient numerical methods for the calculation of the single-particle densities and one-body density matrix elements and of the local exchange coefficients of the spin chain for large systems containing more than 20 strongly interacting particles in arbitrary confining potentials.

  20. A Robust and Efficient Method for Steady State Patterns in Reaction-Diffusion Systems

    PubMed Central

    Lo, Wing-Cheong; Chen, Long; Wang, Ming; Nie, Qing

    2012-01-01

    An inhomogeneous steady state pattern of nonlinear reaction-diffusion equations with no-flux boundary conditions is usually computed by solving the corresponding time-dependent reaction-diffusion equations using temporal schemes. Nonlinear solvers (e.g., Newton’s method) take less CPU time in direct computation for the steady state; however, their convergence is sensitive to the initial guess, often leading to divergence or convergence to spatially homogeneous solution. Systematically numerical exploration of spatial patterns of reaction-diffusion equations under different parameter regimes requires that the numerical method be efficient and robust to initial condition or initial guess, with better likelihood of convergence to an inhomogeneous pattern. Here, a new approach that combines the advantages of temporal schemes in robustness and Newton’s method in fast convergence in solving steady states of reaction-diffusion equations is proposed. In particular, an adaptive implicit Euler with inexact solver (AIIE) method is found to be much more efficient than temporal schemes and more robust in convergence than typical nonlinear solvers (e.g., Newton’s method) in finding the inhomogeneous pattern. Application of this new approach to two reaction-diffusion equations in one, two, and three spatial dimensions, along with direct comparisons to several other existing methods, demonstrates that AIIE is a more desirable method for searching inhomogeneous spatial patterns of reaction-diffusion equations in a large parameter space. PMID:22773849

  1. Mathematical model and its fast numerical method for the tumor growth.

    PubMed

    Lee, Hyun Geun; Kim, Yangjin; Kim, Junseok

    2015-12-01

    In this paper, we reformulate the diffuse interface model of the tumor growth (S.M. Wise et al., Three-dimensional multispecies nonlinear tumor growth-I: model and numerical method, J. Theor. Biol. 253 (2008) 524--543). In the new proposed model, we use the conservative second-order Allen--Cahn equation with a space--time dependent Lagrange multiplier instead of using the fourth-order Cahn--Hilliard equation in the original model. To numerically solve the new model, we apply a recently developed hybrid numerical method. We perform various numerical experiments. The computational results demonstrate that the new model is not only fast but also has a good feature such as distributing excess mass from the inside of tumor to its boundary regions. PMID:26775855

  2. 3D-radiative transfer in terrestrial atmosphere: An efficient parallel numerical procedure

    NASA Astrophysics Data System (ADS)

    Bass, L. P.; Germogenova, T. A.; Nikolaeva, O. V.; Kokhanovsky, A. A.; Kuznetsov, V. S.

    2003-04-01

    Light propagation and scattering in terrestrial atmosphere is usually studied in the framework of the 1D radiative transfer theory [1]. However, in reality particles (e.g., ice crystals, solid and liquid aerosols, cloud droplets) are randomly distributed in 3D space. In particular, their concentrations vary both in vertical and horizontal directions. Therefore, 3D effects influence modern cloud and aerosol retrieval procedures, which are currently based on the 1D radiative transfer theory. It should be pointed out that the standard radiative transfer equation allows to study these more complex situations as well [2]. In recent year the parallel version of the 2D and 3D RADUGA code has been developed. This version is successfully used in gammas and neutrons transport problems [3]. Applications of this code to radiative transfer in atmosphere problems are contained in [4]. Possibilities of code RADUGA are presented in [5]. The RADUGA code system is an universal solver of radiative transfer problems for complicated models, including 2D and 3D aerosol and cloud fields with arbitrary scattering anisotropy, light absorption, inhomogeneous underlying surface and topography. Both delta type and distributed light sources can be accounted for in the framework of the algorithm developed. The accurate numerical procedure is based on the new discrete ordinate SWDD scheme [6]. The algorithm is specifically designed for parallel supercomputers. The version RADUGA 5.1(P) can run on MBC1000M [7] (768 processors with 10 Gb of hard disc memory for each processor). The peak productivity is equal 1 Tfl. Corresponding scalar version RADUGA 5.1 is working on PC. As a first example of application of the algorithm developed, we have studied the shadowing effects of clouds on neighboring cloudless atmosphere, depending on the cloud optical thickness, surface albedo, and illumination conditions. This is of importance for modern satellite aerosol retrieval algorithms development. [1] Sobolev

  3. Review of numerical methods for simulation of the aortic root: Present and future directions

    NASA Astrophysics Data System (ADS)

    Mohammadi, Hossein; Cartier, Raymond; Mongrain, Rosaire

    2016-05-01

    Heart valvular disease is still one of the main causes of mortality and morbidity in develop countries. Numerical modeling has gained considerable attention in studying hemodynamic conditions associated with valve abnormalities. Simulating the large displacement of the valve in the course of the cardiac cycle needs a well-suited numerical method to capture the natural biomechanical phenomena which happens in the valve. The paper aims to review the principal progress of the numerical approaches for studying the hemodynamic of the aortic valve. In addition, the future directions of the current approaches as well as their potential clinical applications are discussed.

  4. Methods of Efficient Study Habits and Physics Learning

    NASA Astrophysics Data System (ADS)

    Zettili, Nouredine

    2010-02-01

    We want to discuss the methods of efficient study habits and how they can be used by students to help them improve learning physics. In particular, we deal with the most efficient techniques needed to help students improve their study skills. We focus on topics such as the skills of how to develop long term memory, how to improve concentration power, how to take class notes, how to prepare for and take exams, how to study scientific subjects such as physics. We argue that the students who conscientiously use the methods of efficient study habits achieve higher results than those students who do not; moreover, a student equipped with the proper study skills will spend much less time to learn a subject than a student who has no good study habits. The underlying issue here is not the quantity of time allocated to the study efforts by the students, but the efficiency and quality of actions so that the student can function at peak efficiency. These ideas were developed as part of Project IMPACTSEED (IMproving Physics And Chemistry Teaching in SEcondary Education), an outreach grant funded by the Alabama Commission on Higher Education. This project is motivated by a major pressing local need: A large number of high school physics teachers teach out of field. )

  5. Models and numerical methods for the simulation of loss-of-coolant accidents in nuclear reactors

    NASA Astrophysics Data System (ADS)

    Seguin, Nicolas

    2014-05-01

    model, this numerical scheme is also efficient in terms of CPU time. Eventually, simpler models can locally replace the more complex model in order to simplify the overall computation, using some appropriate local error indicators developed in [5], without reducing the accuracy. References 1. Ishii, M., Hibiki, T., Thermo-fluid dynamics of two-phase flow, Springer, New-York, 2006. 2. Gallouët, T. and Hérard, J.-M., Seguin, N., Numerical modeling of two-phase flows using the two-fluid two-pressure approach, Math. Models Methods Appl. Sci., Vol. 14, 2004. 3. Seguin, N., Étude d'équations aux dérivées partielles hyperboliques en mécanique des fluides, Habilitation à diriger des recherches, UPMC-Paris 6, 2011. 4. Coquel, F., Hérard, J-M., Saleh, K., Seguin, N., A Robust Entropy-Satisfying Finite Volume Scheme for the Isentropic Baer-Nunziato Model, ESAIM: Mathematical Modelling and Numerical Analysis, Vol. 48, 2013. 5. Mathis, H., Cancès, C., Godlewski, E., Seguin, N., Dynamic model adaptation for multiscale simulation of hyperbolic systems with relaxation, preprint, 2013.

  6. Numerical solution of differential-algebraic equations using the spline collocation-variation method

    NASA Astrophysics Data System (ADS)

    Bulatov, M. V.; Rakhvalov, N. P.; Solovarova, L. S.

    2013-03-01

    Numerical methods for solving initial value problems for differential-algebraic equations are proposed. The approximate solution is represented as a continuous vector spline whose coefficients are found using the collocation conditions stated for a subgrid with the number of collocation points less than the degree of the spline and the minimality condition for the norm of this spline in the corresponding spaces. Numerical results for some model problems are presented.

  7. Numerical solution of hybrid fuzzy differential equations using improved predictor-corrector method

    NASA Astrophysics Data System (ADS)

    Kim, Hyunsoo; Sakthivel, Rathinasamy

    2012-10-01

    The hybrid fuzzy differential equations have a wide range of applications in science and engineering. This paper considers numerical solution for hybrid fuzzy differential equations. The improved predictor-corrector method is adapted and modified for solving the hybrid fuzzy differential equations. The proposed algorithm is illustrated by numerical examples and the results obtained using the scheme presented here agree well with the analytical solutions. The computer symbolic systems such as Maple and Mathematica allow us to perform complicated calculations of algorithm.

  8. Application of simple numerical techniques for increasing the efficiency of a forward-in-time shallow water code on a sphere

    SciTech Connect

    Reisner, J.M.; Kao, C.Y.J.

    1996-09-01

    Atmospheric motions contain signals such as gravity waves and/or sound waves which usually have little influence on the actual weather. These signals do however have an effect on atmospheric models which predict the weather; the signals require the use of small time steps for numerical stability. Two explicit numerical techniques, time-splitting and temporal averaging, are described in this paper which help increase the efficiency of atmospheric models which contain fast signals. An interesting aspect of this work is that these techniques are being applied within the framework of a fully forward-in-time model. This is in contrast to findings by other researchers who have noted that the use of forward-in-time schemes in conjunction with time-splitting leads to numerical instabilities. In addition to demonstrating that the method is efficient, the authors will illustrate that the approach produces a solution which suffers from less dissipative errors than the original model. Additional features of the approach is that it does not suffer from temporal splitting errors and as such the method is fully second-order in time and space. Because the approach is explicit, no difficulties exist with its implementation on parallel architectures. The model is written in Fortran 90 and runs on the CM5.

  9. Numerical simulation of stratified shear flow using a higher order Taylor series expansion method

    SciTech Connect

    Iwashige, Kengo; Ikeda, Takashi

    1995-09-01

    A higher order Taylor series expansion method is applied to two-dimensional numerical simulation of stratified shear flow. In the present study, central difference scheme-like method is adopted for an even expansion order, and upwind difference scheme-like method is adopted for an odd order, and the expansion order is variable. To evaluate the effects of expansion order upon the numerical results, a stratified shear flow test in a rectangular channel (Reynolds number = 1.7x10{sup 4}) is carried out, and the numerical velocity and temperature fields are compared with experimental results measured by laser Doppler velocimetry thermocouples. The results confirm that the higher and odd order methods can simulate mean velocity distributions, root-mean-square velocity fluctuations, Reynolds stress, temperature distributions, and root-mean-square temperature fluctuations.

  10. An optimized efficient dual junction InGaN/CIGS solar cell: A numerical simulation

    NASA Astrophysics Data System (ADS)

    Farhadi, Bita; Naseri, Mosayeb

    2016-08-01

    The photovoltaic performance of an efficient double junction InGaN/CIGS solar cell including a CdS antireflector top cover layer is studied using Silvaco ATLAS software. In this study, to gain a desired structure, the different design parameters, including the CIGS various band gaps, the doping concentration and the thickness of CdS layer are optimized. The simulation indicates that under current matching condition, an optimum efficiency of 40.42% is achieved.

  11. Numerical implementation of the method of fictitious domains for elliptic equations

    NASA Astrophysics Data System (ADS)

    Temirbekov, Almas N.

    2016-08-01

    In the paper, we study the elliptical type equation with strongly changing coefficients. We are interested in studying such equation because the given type equations are yielded when we use the fictitious domain method. In this paper we suggest a special method for numerical solution of the elliptic equation with strongly changing coefficients. We have proved the theorem for the assessment of developed iteration process convergence rate. We have developed computational algorithm and numerical calculations have been done to illustrate the effectiveness of the suggested method.

  12. A study of numerical methods for hyperbolic conservation laws with stiff source terms

    NASA Technical Reports Server (NTRS)

    Leveque, R. J.; Yee, H. C.

    1990-01-01

    In the present study of the behavior of typical numerical methods in the case of a model advection equation having a parameter-dependent source term, two approaches to the incorporation of the source terms are used: MacCormack-type predictor-corrector methods with flux limiters, and splitting methods in which the fluid dynamics and chemistry are handled in separate steps. The latter are found to perform slightly better. The model scalar equation is used to show that the incorrectness of the propagation speeds of discontinuities observed in the stiff case is due to the introduction of nonequilibrium values through numerical dissipation in the advection step.

  13. A general spectral method for the numerical simulation of one-dimensional interacting fermions

    NASA Astrophysics Data System (ADS)

    Clason, Christian; von Winckel, Gregory

    2012-08-01

    This software implements a general framework for the direct numerical simulation of systems of interacting fermions in one spatial dimension. The approach is based on a specially adapted nodal spectral Galerkin method, where the basis functions are constructed to obey the antisymmetry relations of fermionic wave functions. An efficient Matlab program for the assembly of the stiffness and potential matrices is presented, which exploits the combinatorial structure of the sparsity pattern arising from this discretization to achieve optimal run-time complexity. This program allows the accurate discretization of systems with multiple fermions subject to arbitrary potentials, e.g., for verifying the accuracy of multi-particle approximations such as Hartree-Fock in the few-particle limit. It can be used for eigenvalue computations or numerical solutions of the time-dependent Schrödinger equation. The new version includes a Python implementation of the presented approach. New version program summaryProgram title: assembleFermiMatrix Catalogue identifier: AEKO_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKO_v1_1.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 332 No. of bytes in distributed program, including test data, etc.: 5418 Distribution format: tar.gz Programming language: MATLAB/GNU Octave, Python Computer: Any architecture supported by MATLAB, GNU Octave or Python Operating system: Any supported by MATLAB, GNU Octave or Python RAM: Depends on the data Classification: 4.3, 2.2. External routines: Python 2.7+, NumPy 1.3+, SciPy 0.10+ Catalogue identifier of previous version: AEKO_v1_0 Journal reference of previous version: Comput. Phys. Commun. 183 (2012) 405 Does the new version supersede the previous version?: Yes Nature of problem: The direct numerical

  14. Conference on Numerical Methods in Fluid Mechanics, 6th, Goettingen, West Germany, September 25-27, 1985, Proceedings

    NASA Astrophysics Data System (ADS)

    Rues, D.; Kordulla, W.

    Papers are presented on implicit and semiimplicit methods for the compressible Navier-Stokes equations, a multigrid Marker-and-Cell algorithm for three-dimensional flow computation, solution of the Euler equations for missile configurations, and a finite difference Galerkin method for the solution of the Navier-Stokes equations. Also considered are an application of the two-dimensional time-marching Euler code to transonic turbomachinery flow, a numerical method for vortex sheet roll-up, the conjugate gradient method applied to turbulent flow calculations, and numerical experiments with a total variation diminishing MacCormack scheme. Other topics include partially-parabolic calculations of three-dimensional viscous flow through turbomachinery cascades, implicit finite-difference simulation of separated hypersonic flow over an indented nosetip, stability of collocation-Chebyschev schemes with application to the Navier-Stokes equations, and numerical experiments with inviscid vortex-stretched flow around a cranked delta wing. Papers are also presented on large eddy simulation of atmospheric turbulence, application of patched meshes to viscous and inviscid flows, higher-order flux difference splitting schemes for the Euler equations using upstream interpolations, and the efficient use of vector computers with emphasis on computational fluid dynamics.

  15. Non-standard numerical methods applied to subsurface biobarrier formation models in porous media.

    PubMed

    Chen, B M; Kojouharov, H V

    1999-07-01

    Biofilm forming microbes have complex effects on the flow properties of natural porous media. Subsurface biofilms have the potential for the formation of biobarriers to inhibit contaminant migration in groundwater. Another example of beneficial microbial effects is the biotransformation of organic contaminants to less harmful forms, thereby providing an in situ method for treatment of contaminated groundwater supplies. Mathematical models that describe contaminant transport with biodegradation involve a set of coupled convection-dispersion equations with non-linear reactions. The reactive solute transport equation is one for which numerical solution procedures continue to exhibit significant limitations for certain problems of groundwater hydrology interest. Accurate numerical simulations are crucial to the development of contaminant remediation strategies. A new numerical method is developed for simulation of reactive bacterial transport in porous media. The non-standard numerical approach is based on the ideas of the 'exact' time-stepping scheme. It leads to solutions free from the numerical instabilities that arise from incorrect modeling of derivatives and reaction terms. Applications to different biofilm models are examined and numerical results are presented to demonstrate the performance of the proposed new method.

  16. Method for Determining Optimal Residential Energy Efficiency Retrofit Packages

    SciTech Connect

    Polly, B.; Gestwick, M.; Bianchi, M.; Anderson, R.; Horowitz, S.; Christensen, C.; Judkoff, R.

    2011-04-01

    Businesses, government agencies, consumers, policy makers, and utilities currently have limited access to occupant-, building-, and location-specific recommendations for optimal energy retrofit packages, as defined by estimated costs and energy savings. This report describes an analysis method for determining optimal residential energy efficiency retrofit packages and, as an illustrative example, applies the analysis method to a 1960s-era home in eight U.S. cities covering a range of International Energy Conservation Code (IECC) climate regions. The method uses an optimization scheme that considers average energy use (determined from building energy simulations) and equivalent annual cost to recommend optimal retrofit packages specific to the building, occupants, and location. Energy savings and incremental costs are calculated relative to a minimum upgrade reference scenario, which accounts for efficiency upgrades that would occur in the absence of a retrofit because of equipment wear-out and replacement with current minimum standards.

  17. Numerical Simulation of High Velocity Impact Phenomenon by the Distinct Element Method (dem)

    NASA Astrophysics Data System (ADS)

    Tsukahara, Y.; Matsuo, A.; Tanaka, K.

    2007-12-01

    Continuous-DEM (Distinct Element Method) for impact analysis is proposed in this paper. Continuous-DEM is based on DEM (Distinct Element Method) and the idea of the continuum theory. Numerical simulations of impacts between SUS 304 projectile and concrete target has been performed using the proposed method. The results agreed quantitatively with the impedance matching method. Experimental elastic-plastic behavior with compression and rarefaction wave under plate impact was also qualitatively reproduced, matching the result by AUTODYN®.

  18. Method for the numerical integration of equations of perturbed satellite motion in problems of space geodesy

    NASA Astrophysics Data System (ADS)

    Plakhov, Iu. V.; Mytsenko, A. V.; Shel'Pov, V. A.

    A numerical integration method is developed that is more accurate than Everhart's (1974) implicit single-sequence approach for integrating orbits. This method can be used to solve problems of space geodesy based on the use of highly precise laser observations.

  19. Energy conserving numerical methods for the computation of complex vortical flows

    NASA Astrophysics Data System (ADS)

    Allaneau, Yves

    One of the original goals of this thesis was to develop numerical tools to help with the design of micro air vehicles. Micro Air Vehicles (MAVs) are small flying devices of only a few inches in wing span. Some people consider that as their size becomes smaller and smaller, it would be increasingly more difficult to keep all the classical control surfaces such as the rudders, the ailerons and the usual propellers. Over the years, scientists took inspiration from nature. Birds, by flapping and deforming their wings, are capable of accurate attitude control and are able to generate propulsion. However, the biomimicry design has its own limitations and it is difficult to place a hummingbird in a wind tunnel to study precisely the motion of its wings. Our approach was to use numerical methods to tackle this challenging problem. In order to precisely evaluate the lift and drag generated by the wings, one needs to be able to capture with high fidelity the extremely complex vortical flow produced in the wake. This requires a numerical method that is stable yet not too dissipative, so that the vortices do not get diffused in an unphysical way. We solved this problem by developing a new Discontinuous Galerkin scheme that, in addition to conserving mass, momentum and total energy locally, also preserves kinetic energy globally. This property greatly improves the stability of the simulations, especially in the special case p=0 when the approximation polynomials are taken to be piecewise constant (we recover a finite volume scheme). In addition to needing an adequate numerical scheme, a high fidelity solution requires many degrees of freedom in the computations to represent the flow field. The size of the smallest eddies in the flow is given by the Kolmogoroff scale. Capturing these eddies requires a mesh counting in the order of Re³ cells, where Re is the Reynolds number of the flow. We show that under-resolving the system, to a certain extent, is acceptable. However our

  20. A Diffusion Approximation and Numerical Methods for Adaptive Neuron Models with Stochastic Inputs

    PubMed Central

    Rosenbaum, Robert

    2016-01-01

    Characterizing the spiking statistics of neurons receiving noisy synaptic input is a central problem in computational neuroscience. Monte Carlo approaches to this problem are computationally expensive and often fail to provide mechanistic insight. Thus, the field has seen the development of mathematical and numerical approaches, often relying on a Fokker-Planck formalism. These approaches force a compromise between biological realism, accuracy and computational efficiency. In this article we develop an extension of existing diffusion approximations to more accurately approximate the response of neurons with adaptation currents and noisy synaptic currents. The implementation refines existing numerical schemes for solving the associated Fokker-Planck equations to improve computationally efficiency and accuracy. Computer code implementing the developed algorithms is made available to the public. PMID:27148036

  1. A Diffusion Approximation and Numerical Methods for Adaptive Neuron Models with Stochastic Inputs.

    PubMed

    Rosenbaum, Robert

    2016-01-01

    Characterizing the spiking statistics of neurons receiving noisy synaptic input is a central problem in computational neuroscience. Monte Carlo approaches to this problem are computationally expensive and often fail to provide mechanistic insight. Thus, the field has seen the development of mathematical and numerical approaches, often relying on a Fokker-Planck formalism. These approaches force a compromise between biological realism, accuracy and computational efficiency. In this article we develop an extension of existing diffusion approximations to more accurately approximate the response of neurons with adaptation currents and noisy synaptic currents. The implementation refines existing numerical schemes for solving the associated Fokker-Planck equations to improve computationally efficiency and accuracy. Computer code implementing the developed algorithms is made available to the public. PMID:27148036

  2. Improved numerical methods for turbulent viscous flows aerothermal modeling program, phase 2

    NASA Technical Reports Server (NTRS)

    Karki, K. C.; Patankar, S. V.; Runchal, A. K.; Mongia, H. C.

    1988-01-01

    The details of a study to develop accurate and efficient numerical schemes to predict complex flows are described. In this program, several discretization schemes were evaluated using simple test cases. This assessment led to the selection of three schemes for an in-depth evaluation based on two-dimensional flows. The scheme with the superior overall performance was incorporated in a computer program for three-dimensional flows. To improve the computational efficiency, the selected discretization scheme was combined with a direct solution approach in which the fluid flow equations are solved simultaneously rather than sequentially.

  3. Efficiency fitting for TDCR measurement data using polynomial approximation and the Newton-Raphson method.

    PubMed

    Sato, Y; Yamada, T; Matsumoto, M; Wakitani, Y; Hasegawa, T; Yoshimura, T; Murayama, H; Oda, K; Sato, T; Unno, Y; Yunoki, A

    2012-09-01

    A tritium radioactivity source was measured by triple-to-double coincidence ratio (TDCR) equipment of the National Metrology Institute of Japan (NMIJ), and measured data were fitted using polynomial approximation and the Newton-Raphson method, a technique whereby equations are solved numerically by successive approximations. The method used to obtain the activity minimizes the difference between statistically calculated data and experimental data. In the fitting, since calculated statistical efficiency and TDCR values are discrete, the calculated efficiencies are approximated by quadratic functions around experimental values and the Newton-Raphson method is used for convergence at the minimal difference between experimental data and calculated data. In this way, the activity of tritium was successfully obtained.

  4. An efficient method for simulation of noisy coupled multi-dimensional oscillators

    NASA Astrophysics Data System (ADS)

    Stinchcombe, Adam R.; Forger, Daniel B.

    2016-09-01

    We present an efficient computational method for the study of populations of noisy coupled oscillators. By taking a population density approach in which the probability density of observing an oscillator at a point of state space is the primary variable instead of the states of all of the oscillators, we are able to seamlessly account for intrinsic noise within the oscillators and global coupling within the population. The population is assumed to consist of a large number of oscillators so that the noise process is well sampled over the population. Our numerical method is able to solve the governing equation even in the challenging case of limit cycle oscillators with a large number of state variables. Instead of simulating a prohibitive number of oscillators, our particle method simulates relatively few particles allowing for the efficient solution of the governing equation.

  5. Method for assessing in-service motor efficiency and in-service motor/load efficiency

    DOEpatents

    Kueck, John D.; Otaduy, Pedro J.

    1997-01-01

    A method and apparatus for assessing the efficiency of an in-service motor. The operating characteristics of the in-service motor are remotely measured. The operating characteristics are then applied to an equivalent circuit for electrical motors. Finally the equivalent circuit is evaluated to determine the performance characteristics of said in-service motor. Based upon the evaluation an individual is able to determine the rotor speed, power output, efficiency, and toque of the in-service motor. Additionally, an individual is able to confirm the calculations by comparing measured values with values obtained as a result of the motor equivalent circuit evaluation.

  6. Efficient solution of parabolic equations by Krylov approximation methods

    NASA Technical Reports Server (NTRS)

    Gallopoulos, E.; Saad, Y.

    1990-01-01

    Numerical techniques for solving parabolic equations by the method of lines is addressed. The main motivation for the proposed approach is the possibility of exploiting a high degree of parallelism in a simple manner. The basic idea of the method is to approximate the action of the evolution operator on a given state vector by means of a projection process onto a Krylov subspace. Thus, the resulting approximation consists of applying an evolution operator of a very small dimension to a known vector which is, in turn, computed accurately by exploiting well-known rational approximations to the exponential. Because the rational approximation is only applied to a small matrix, the only operations required with the original large matrix are matrix-by-vector multiplications, and as a result the algorithm can easily be parallelized and vectorized. Some relevant approximation and stability issues are discussed. We present some numerical experiments with the method and compare its performance with a few explicit and implicit algorithms.

  7. Comparison of measured efficiencies of nine turbine designs with efficiencies predicted by two empirical methods

    NASA Technical Reports Server (NTRS)

    English, Robert E; Cavicchi, Richard H

    1951-01-01

    Empirical methods of Ainley and Kochendorfer and Nettles were used to predict performances of nine turbine designs. Measured and predicted performances were compared. Appropriate values of blade-loss parameter were determined for the method of Kochendorfer and Nettles. The measured design-point efficiencies were lower than predicted by as much as 0.09 (Ainley and 0.07 (Kochendorfer and Nettles). For the method of Kochendorfer and Nettles, appropriate values of blade-loss parameter ranged from 0.63 to 0.87 and the off-design performance was accurately predicted.

  8. How to evaluate the separation efficiency of CZE methods?

    PubMed

    Büttner-Merz, C; Holzgrabe, U

    2011-06-01

    In trying to estimate the separation efficiency of Capillary Electrophoresis (CE) methods, the resolution (RS), the number of theoretical plates (N) and the peak-to-valley ratio (p/v) are often used assessment criteria. This study demonstrates that these criteria are not as suitable to describe the separation efficiency in case of Capillary Zone Electrophoresis (CZE) methods as they are for Liquid Chromatography (LC) methods. The investigations were performed by means of a validated CZE method for the evaluation of tetracyclines and their related substances. Four impurities of tetracycline hydrochloride are described in the European Pharmacopoeia. Three were found in the sample used for our investigations, i.e. epi-tetracycline formed by keto-enol-tautomerism, anhydrotetracyclin and epi-anhydrotetracyline. It could be shown that higher values of these assessment criteria like RS do not necessarily represent better separation. Thus, a discussion on the usefulness of separation selectivity and efficiency as assessment criteria for capillary electrophoresis as well as on the introduction of additional parameters is needed.

  9. Numerical Simulation of Unsteady Flow Field around Helicopter in Forward Flight Using a Parallel Dynamic Overset Unstructured Grids Method

    NASA Astrophysics Data System (ADS)

    Tian, Shuling; Wu, Yizhao; Xia, Jian

    A parallel Navier-Stokes solver based on dynamic overset unstructured grids method is presented to simulate the unsteady turbulent flow field around helicopter in forward flight. The grid method has the advantages of unstructured grid and Chimera grid and is suitable to deal with multiple bodies in relatively moving. Unsteady Navier-Stokes equations are solved on overset unstructured grids by an explicit dual time-stepping, finite volume method. Preconditioning method applied to inner iteration of the dual-time stepping is used to speed up the convergence of numerical simulation. The Spalart-Allmaras one-equation turbulence model is used to evaluate the turbulent viscosity. Parallel computation is based on the dynamic domain decomposition method in overset unstructured grids system at each physical time step. A generic helicopter Robin with a four-blade rotor in forward flight is considered to validate the method presented in this paper. Numerical simulation results show that the parallel dynamic overset unstructured grids method is very efficient for the simulation of helicopter flow field and the results are reliable.

  10. Simulation of the spatial distribution of the acoustic pressure in sonochemical reactors with numerical methods: a review.

    PubMed

    Tudela, Ignacio; Sáez, Verónica; Esclapez, María Deseada; Díez-García, María Isabel; Bonete, Pedro; González-García, José

    2014-05-01

    Numerical methods for the calculation of the acoustic field inside sonoreactors have rapidly emerged in the last 15 years. This paper summarizes some of the most important works on this topic presented in the past, along with the diverse numerical works that have been published since then, reviewing the state of the art from a qualitative point of view. In this sense, we illustrate and discuss some of the models recently developed by the scientific community to deal with some of the complex events that take place in a sonochemical reactor such as the vibration of the reactor walls and the nonlinear phenomena inherent to the presence of ultrasonic cavitation. In addition, we point out some of the upcoming challenges that must be addressed in order to develop a reliable tool for the proper designing of efficient sonoreactors and the scale-up of sonochemical processes. PMID:24355287

  11. Development of a numerical method for the prediction of turbulent flows in dump diffusers

    NASA Astrophysics Data System (ADS)

    Ando, Yasunori; Kawai, Masafumi; Sato, Yukinori; Toh, Hidemi

    1987-01-01

    In order to obtain an effective tool to design dump diffusers for gas turbine combustors, a finite-volume numerical calculation method has been developed for the solution of two-dimensional/axisymmetric incompressible steady Navier-Stokes equation in general curvilinear coordinate system. This method was applied to the calculations of turbulent flows in a two-dimensional dump diffuser with uniform and distorted inlet velocity profiles as well as an annular dump diffuser with uniform inlet velocity profile, and the calculated results were compared with experimental data. The numerical results showed a good agreement with experimental data in case of both inlet velocity profiles; eventually, the numerical method was confirmed to be an effective tool for the development of dump diffusers which can predict the flow pattern, velocity distribution and the pressure loss.

  12. A method for generating numerical pilot opinion ratings using the optimal pilot model

    NASA Technical Reports Server (NTRS)

    Hess, R. A.

    1976-01-01

    A method for generating numerical pilot opinion ratings using the optimal pilot model is introduced. The method is contained in a rating hypothesis which states that the numerical rating which a human pilot assigns to a specific vehicle and task can be directly related to the numerical value of the index of performance resulting from the optimal pilot modeling procedure as applied to that vehicle and task. The hypothesis is tested using the data from four piloted simulations. The results indicate that the hypothesis is reasonable, but that the predictive capability of the method is a strong function of the accuracy of the pilot model itself. This accuracy is, in turn, dependent upon the parameters which define the optimal modeling problem. A procedure for specifying the parameters for the optimal pilot model in the absence of experimental data is suggested.

  13. A numerical method for determining highly precise electron energy distribution functions from Langmuir probe characteristics

    SciTech Connect

    Bang, Jin-Young; Chung, Chin-Wook

    2010-12-15

    Electron energy distribution functions (EEDFs) were determined from probe characteristics using a numerical ac superimposed method with a distortion correction of high derivative terms by varying amplitude of a sinusoidal perturbation voltage superimposed onto the dc sweep voltage, depending on the related electron energy. Low amplitude perturbation applied around the plasma potential represented the low energy peak of the EEDF exactly, and high amplitude perturbation applied around the floating potential was effective to suppress noise or distortion of the probe characteristic, which is fatal to the tail electron distribution. When a small random noise was imposed over the stabilized prove characteristic, the numerical differentiation method was not suitable to determine the EEDF, while the numerical ac superimposed method was able to obtain a highly precise EEDF.

  14. A numerical simulation method and analysis of a complete thermoacoustic-Stirling engine.

    PubMed

    Ling, Hong; Luo, Ercang; Dai, Wei

    2006-12-22

    Thermoacoustic prime movers can generate pressure oscillation without any moving parts on self-excited thermoacoustic effect. The details of the numerical simulation methodology for thermoacoustic engines are presented in the paper. First, a four-port network method is used to build the transcendental equation of complex frequency as a criterion to judge if temperature distribution of the whole thermoacoustic system is correct for the case with given heating power. Then, the numerical simulation of a thermoacoustic-Stirling heat engine is carried out. It is proved that the numerical simulation code can run robustly and output what one is interested in. Finally, the calculated results are compared with the experiments of the thermoacoustic-Stirling heat engine (TASHE). It shows that the numerical simulation can agrees with the experimental results with acceptable accuracy. PMID:16996099

  15. A numerical simulation method and analysis of a complete thermoacoustic-Stirling engine.

    PubMed

    Ling, Hong; Luo, Ercang; Dai, Wei

    2006-12-22

    Thermoacoustic prime movers can generate pressure oscillation without any moving parts on self-excited thermoacoustic effect. The details of the numerical simulation methodology for thermoacoustic engines are presented in the paper. First, a four-port network method is used to build the transcendental equation of complex frequency as a criterion to judge if temperature distribution of the whole thermoacoustic system is correct for the case with given heating power. Then, the numerical simulation of a thermoacoustic-Stirling heat engine is carried out. It is proved that the numerical simulation code can run robustly and output what one is interested in. Finally, the calculated results are compared with the experiments of the thermoacoustic-Stirling heat engine (TASHE). It shows that the numerical simulation can agrees with the experimental results with acceptable accuracy.

  16. An efficient method of guinea fowl sperm cryopreservation.

    PubMed

    Seigneurin, F; Grasseau, I; Chapuis, H; Blesbois, E

    2013-11-01

    France is the only country that practices pedigree selection of guinea fowl for meat production. The increasing risk of line extinction for sanitary or breeding failure reasons makes clear the need for an efficient method of reproductive cell cryopreservation in this species. However, an efficient method of guinea fowl sperm freezing in secured packaging is still lacking. The aim of the present study was to develop such a method. Based on results previously obtained in chickens, different cryoprotectants and freezing/thawing processes were tested and then adapted to guinea fowl. Semen quality was measured by semen viability evaluation and then by fertility measured after intravaginal artificial insemination. The best results (70% fertility with frozen-thawed sperm) were obtained by the use of the permeant cryoprotectant agents dimethyl formamide combined with a freezing rate of 30°C/min. The initial insemination frequency also affected the fertility results: 2 consecutive days of inseminations were needed in the first week to ensure enough filling of the utero-vaginal glands of the guinea fowl hen and thus to get successive fertile eggs. Thereafter, a 2-wk insemination frequency was sufficient. This new method, combining biophysical (cryoprotectant agents, freeze/thaw rate) and zootechnical (artificial insemination frequency) features, is the first cryopreservation method successfully developed in secured packaging for guinea fowl sperm. This method is now available for the practice of gene bank conservation and male reproductive management.

  17. An efficient immersed boundary-lattice Boltzmann method for the hydrodynamic interaction of elastic filaments.

    PubMed

    Tian, Fang-Bao; Luo, Haoxiang; Zhu, Luoding; Liao, James C; Lu, Xi-Yun

    2011-08-10

    We have introduced a modified penalty approach into the flow-structure interaction solver that combines an immersed boundary method (IBM) and a multi-block lattice Boltzmann method (LBM) to model an incompressible flow and elastic boundaries with finite mass. The effect of the solid structure is handled by the IBM in which the stress exerted by the structure on the fluid is spread onto the collocated grid points near the boundary. The fluid motion is obtained by solving the discrete lattice Boltzmann equation. The inertial force of the thin solid structure is incorporated by connecting this structure through virtual springs to a ghost structure with the equivalent mass. This treatment ameliorates the numerical instability issue encountered in this type of problems. Thanks to the superior efficiency of the IBM and LBM, the overall method is extremely fast for a class of flow-structure interaction problems where details of flow patterns need to be resolved. Numerical examples, including those involving multiple solid bodies, are presented to verify the method and illustrate its efficiency. As an application of the present method, an elastic filament flapping in the Kármán gait and the entrainment regions near a cylinder is studied to model fish swimming in these regions. Significant drag reduction is found for the filament, and the result is consistent with the metabolic cost measured experimentally for the live fish. PMID:23564971

  18. An efficient immersed boundary-lattice Boltzmann method for the hydrodynamic interaction of elastic filaments

    NASA Astrophysics Data System (ADS)

    Tian, Fang-Bao; Luo, Haoxiang; Zhu, Luoding; Liao, James C.; Lu, Xi-Yun

    2011-08-01

    We have introduced a modified penalty approach into the flow-structure interaction solver that combines an immersed boundary method (IBM) and a multi-block lattice Boltzmann method (LBM) to model an incompressible flow and elastic boundaries with finite mass. The effect of the solid structure is handled by the IBM in which the stress exerted by the structure on the fluid is spread onto the collocated grid points near the boundary. The fluid motion is obtained by solving the discrete lattice Boltzmann equation. The inertial force of the thin solid structure is incorporated by connecting this structure through virtual springs to a ghost structure with the equivalent mass. This treatment ameliorates the numerical instability issue encountered in this type of problems. Thanks to the superior efficiency of the IBM and LBM, the overall method is extremely fast for a class of flow-structure interaction problems where details of flow patterns need to be resolved. Numerical examples, including those involving multiple solid bodies, are presented to verify the method and illustrate its efficiency. As an application of the present method, an elastic filament flapping in the Kármán gait and the entrainment regions near a cylinder is studied to model fish swimming in these regions. Significant drag reduction is found for the filament, and the result is consistent with the metabolic cost measured experimentally for the live fish.

  19. A numerically efficient finite element hydroelastic analysis. Volume 2: Implementation in NASTRAN, part 1

    NASA Technical Reports Server (NTRS)

    Coppolino, R. N.

    1974-01-01

    Details are presented of the implementation of the new formulation into NASTRAN including descriptions of the DMAP statements required for conversion of the program and details pertaining to problem definition and bulk data considerations. Details of the current 1/8-scale space shuttle external tank mathematical model, numerical results and analysis/test comparisons are also presented. The appendices include a description and listing of a FORTRAN program used to develop harmonic transformation bulk data (multipoint constraint statements) and sample bulk data information for a number of hydroelastic problems.

  20. Memory efficient solution of the primitive equations for numerical weather prediction on the CYBER 205

    NASA Technical Reports Server (NTRS)

    Tuccillo, J. J.

    1984-01-01

    Numerical Weather Prediction (NWP), for both operational and research purposes, requires only fast computational speed but also large memory. A technique for solving the Primitive Equations for atmospheric motion on the CYBER 205, as implemented in the Mesoscale Atmospheric Simulation System, which is fully vectorized and requires substantially less memory than other techniques such as the Leapfrog or Adams-Bashforth Schemes is discussed. The technique presented uses the Euler-Backard time marching scheme. Also discussed are several techniques for reducing computational time of the model by replacing slow intrinsic routines by faster algorithms which use only hardware vector instructions.

  1. Seven-spot ladybird optimization: a novel and efficient metaheuristic algorithm for numerical optimization.

    PubMed

    Wang, Peng; Zhu, Zhouquan; Huang, Shuai

    2013-01-01

    This paper presents a novel biologically inspired metaheuristic algorithm called seven-spot ladybird optimization (SLO). The SLO is inspired by recent discoveries on the foraging behavior of a seven-spot ladybird. In this paper, the performance of the SLO is compared with that of the genetic algorithm, particle swarm optimization, and artificial bee colony algorithms by using five numerical benchmark functions with multimodality. The results show that SLO has the ability to find the best solution with a comparatively small population size and is suitable for solving optimization problems with lower dimensions. PMID:24385879

  2. Seven-spot ladybird optimization: a novel and efficient metaheuristic algorithm for numerical optimization.

    PubMed

    Wang, Peng; Zhu, Zhouquan; Huang, Shuai

    2013-01-01

    This paper presents a novel biologically inspired metaheuristic algorithm called seven-spot ladybird optimization (SLO). The SLO is inspired by recent discoveries on the foraging behavior of a seven-spot ladybird. In this paper, the performance of the SLO is compared with that of the genetic algorithm, particle swarm optimization, and artificial bee colony algorithms by using five numerical benchmark functions with multimodality. The results show that SLO has the ability to find the best solution with a comparatively small population size and is suitable for solving optimization problems with lower dimensions.

  3. A numerically efficient finite element hydroelastic analysis. Volume 1: Theory and results

    NASA Technical Reports Server (NTRS)

    Coppolino, R. N.

    1976-01-01

    Symmetric finite element matrix formulations for compressible and incompressible hydroelasticity are developed on the basis of Toupin's complementary formulation of classical mechanics. Results of implementation of the new technique in the NASTRAN structural analysis program are presented which demonstrate accuracy and efficiency.

  4. A numerical method of tracing a vortical axis along local topological axis line

    NASA Astrophysics Data System (ADS)

    Nakayama, Katsuyuki; Hasegawa, Hideki

    2016-06-01

    A new numerical method is presented to trace or identify a vortical axis in flow, which is based on Galilean invariant flow topology. We focus on the local flow topology specified by the eigenvalues and eigenvectors of the velocity gradient tensor, and extract the axis component from its flow trajectory. Eigen-vortical-axis line is defined from the eigenvector of the real eigenvalue of the velocity gradient tensor where the tensor has the conjugate complex eigenvalues. This numerical method integrates the eigen-vortical-axis line and traces a vortical axis in terms of the invariant flow topology, which enables to investigate the feature of the topology-based vortical axis.

  5. Direct Numerical Simulation of Interfacial Flows: Implicit Sharp-Interface Method (I-SIM)

    SciTech Connect

    Robert Nourgaliev; Theo Theofanous; HyeongKae Park; Vincent Mousseau; Dana Knoll

    2008-01-01

    In recent work (Nourgaliev, Liou, Theofanous, JCP in press) we demonstrated that numerical simulations of interfacial flows in the presence of strong shear must be cast in dynamically sharp terms (sharp interface treatment or SIM), and that moreover they must meet stringent resolution requirements (i.e., resolving the critical layer). The present work is an outgrowth of that work aiming to overcome consequent limitations on the temporal treatment, which become still more severe in the presence of phase change. The key is to avoid operator splitting between interface motion, fluid convection, viscous/heat diffusion and reactions; instead treating all these non-linear operators fully-coupled within a Newton iteration scheme. To this end, the SIM’s cut-cell meshing is combined with the high-orderaccurate implicit Runge-Kutta and the “recovery” Discontinuous Galerkin methods along with a Jacobian-free, Krylov subspace iteration algorithm and its physics-based preconditioning. In particular, the interfacial geometry (i.e., marker’s positions and volumes of cut cells) is a part of the Newton-Krylov solution vector, so that the interface dynamics and fluid motions are fully-(non-linearly)-coupled. We show that our method is: (a) robust (L-stable) and efficient, allowing to step over stability time steps at will while maintaining high-(up to the 5th)-order temporal accuracy; (b) fully conservative, even near multimaterial contacts, without any adverse consequences (pressure/velocity oscillations); and (c) highorder-accurate in spatial discretization (demonstrated here up to the 12th-order for smoothin-the-bulk-fluid flows), capturing interfacial jumps sharply, within one cell. Performance is illustrated with a variety of test problems, including low-Mach-number “manufactured” solutions, shock dynamics/tracking with slow dynamic time scales, and multi-fluid, highspeed shock-tube problems. We briefly discuss preconditioning, and we introduce two physics

  6. Numerical methods for large-scale, time-dependent partial differential equations

    NASA Technical Reports Server (NTRS)

    Turkel, E.

    1979-01-01

    A survey of numerical methods for time dependent partial differential equations is presented. The emphasis is on practical applications to large scale problems. A discussion of new developments in high order methods and moving grids is given. The importance of boundary conditions is stressed for both internal and external flows. A description of implicit methods is presented including generalizations to multidimensions. Shocks, aerodynamics, meteorology, plasma physics and combustion applications are also briefly described.

  7. A numerical study of the Regge calculus and smooth lattice methods on a Kasner cosmology

    NASA Astrophysics Data System (ADS)

    Brewin, Leo

    2015-10-01

    Two lattice based methods for numerical relativity, the Regge calculus and the smooth lattice relativity, will be compared with respect to accuracy and computational speed in a full 3+1 evolution of initial data representing a standard Kasner cosmology. It will be shown that both methods provide convergent approximations to the exact Kasner cosmology. It will also be shown that the Regge calculus is of the order of 110 times slower than the smooth lattice method.

  8. Modified shifted angular spectrum method for numerical propagation at reduced spatial sampling rates.

    PubMed

    Ritter, André

    2014-10-20

    The shifted angular spectrum method allows a reduction of the number of samples required for numerical off-axis propagation of scalar wave fields. In this work, a modification of the shifted angular spectrum method is presented. It allows a further reduction of the spatial sampling rate for certain wave fields. We calculate the benefit of this method for spherical waves. Additionally, a working implementation is presented showing the example of a spherical wave propagating through a circular aperture. PMID:25401659

  9. A numerical method for the stress analysis of stiffened-shell structures under nonuniform temperature distributions

    NASA Technical Reports Server (NTRS)

    Heldenfels, Richard R

    1951-01-01

    A numerical method is presented for the stress analysis of stiffened-shell structures of arbitrary cross section under nonuniform temperature distributions. The method is based on a previously published procedure that is extended to include temperature effects and multicell construction. The application of the method to practical problems is discussed and an illustrative analysis is presented of a two-cell box beam under the combined action of vertical loads and a nonuniform temperature distribution.

  10. Efficient extraction method to collect sugar from sweet sorghum

    PubMed Central

    2013-01-01

    Background Sweet sorghum is a domesticated grass containing a sugar-rich juice that can be readily utilized for ethanol production. Most of the sugar is stored inside the cells of the stalk tissue and can be difficult to release, a necessary step before conventional fermentation. While this crop holds much promise as an arid land sugar source for biofuel production, a number of challenges must be overcome. One lies in the inherent labile nature of the sugars in the stalks leading to a short usable storage time. Also, collection of sugars from the sweet sorghum stalks is usually accomplished by mechanical squeezing, but generally does not collect all of the available sugars. Results In this paper, we present two methods that address these challenges for utilization of sweet sorghum for biofuel production. The first method demonstrates a means to store sweet sorghum stalks in the field under semi-arid conditions. The second provides an efficient water extraction method that can collect as much of the available sugar as feasible. Operating parameters investigated include temperature, stalk size, and solid–liquid ratio that impact both the rate of sugar release and the maximal amount recovered with a goal of low water use. The most desirable conditions include 30°C, 0.6 ratio of solid to liquid (w/w), which collects 90 % of the available sugar. Variations in extraction methods did not alter the efficiency of the eventual ethanol fermentation. Conclusions The water extraction method has the potential to be used for sugar extraction from both fresh sweet sorghum stalks and dried ones. When combined with current sugar extraction methods, the overall ethanol production efficiency would increase compared to current field practices. PMID:23305036

  11. An analytical method to predict efficiency of aircraft gearboxes

    NASA Technical Reports Server (NTRS)

    Anderson, N. E.; Loewenthal, S. H.; Black, J. D.

    1984-01-01

    A spur gear efficiency prediction method previously developed by the authors was extended to include power loss of planetary gearsets. A friction coefficient model was developed for MIL-L-7808 oil based on disc machine data. This combined with the recent capability of predicting losses in spur gears of nonstandard proportions allows the calculation of power loss for complete aircraft gearboxes that utilize spur gears. The method was applied to the T56/501 turboprop gearbox and compared with measured test data. Bearing losses were calculated with large scale computer programs. Breakdowns of the gearbox losses point out areas for possible improvement.

  12. Methods and compositions for efficient nucleic acid sequencing

    DOEpatents

    Drmanac, Radoje

    2002-01-01

    Disclosed are novel methods and compositions for rapid and highly efficient nucleic acid sequencing based upon hybridization with two sets of small oligonucleotide probes of known sequences. Extremely large nucleic acid molecules, including chromosomes and non-amplified RNA, may be sequenced without prior cloning or subcloning steps. The methods of the invention also solve various current problems associated with sequencing technology such as, for example, high noise to signal ratios and difficult discrimination, attaching many nucleic acid fragments to a surface, preparing many, longer or more complex probes and labelling more species.

  13. Methods and compositions for efficient nucleic acid sequencing

    DOEpatents

    Drmanac, Radoje

    2006-07-04

    Disclosed are novel methods and compositions for rapid and highly efficient nucleic acid sequencing based upon hybridization with two sets of small oligonucleotide probes of known sequences. Extremely large nucleic acid molecules, including chromosomes and non-amplified RNA, may be sequenced without prior cloning or subcloning steps. The methods of the invention also solve various current problems associated with sequencing technology such as, for example, high noise to signal ratios and difficult discrimination, attaching many nucleic acid fragments to a surface, preparing many, longer or more complex probes and labelling more species.

  14. Efficient Numerical Modeling of 3D, Half-Space, Slow-Slip and Quasi-Dynamic Earthquake Ruptures

    NASA Astrophysics Data System (ADS)

    Bradley, A. M.; Segall, P.

    2011-12-01

    tolerance on the approximation to parameters of the compression algorithms (Bradley [submitted]) improves the compression efficiency for the third-order 1/r3 singularity with elastic Green's functions, relative to the standard method, by factors of two to five---importantly, while still providing the same straightforward error bound on the approximation. The compression (and so, roughly, the speedup) factor for a problem in which the fault is discretized by 156 ± 402 rectangles and the tolerance on the relative error is 10-5 is just over 75. We will describe our numerical methods and present preliminary simulation results.

  15. Interface COMSOL-PHREEQC (iCP), an efficient numerical framework for the solution of coupled multiphysics and geochemistry

    NASA Astrophysics Data System (ADS)

    Nardi, Albert; Idiart, Andrés; Trinchero, Paolo; de Vries, Luis Manuel; Molinero, Jorge

    2014-08-01

    This paper presents the development, verification and application of an efficient interface, denoted as iCP, which couples two standalone simulation programs: the general purpose Finite Element framework COMSOL Multiphysics® and the geochemical simulator PHREEQC. The main goal of the interface is to maximize the synergies between the aforementioned codes, providing a numerical platform that can efficiently simulate a wide number of multiphysics problems coupled with geochemistry. iCP is written in Java and uses the IPhreeqc C++ dynamic library and the COMSOL Java-API. Given the large computational requirements of the aforementioned coupled models, special emphasis has been placed on numerical robustness and efficiency. To this end, the geochemical reactions are solved in parallel by balancing the computational load over multiple threads. First, a benchmark exercise is used to test the reliability of iCP regarding flow and reactive transport. Then, a large scale thermo-hydro-chemical (THC) problem is solved to show the code capabilities. The results of the verification exercise are successfully compared with those obtained using PHREEQC and the application case demonstrates the scalability of a large scale model, at least up to 32 threads.

  16. A Numerical Combination of Extended Boundary Condition Method and Invariant Imbedding Method Applied to Light Scattering by Large Spheroids and Cylinders

    NASA Technical Reports Server (NTRS)

    Bi, Lei; Yang, Ping; Kattawar, George W.; Mishchenko, Michael I.

    2013-01-01

    The extended boundary condition method (EBCM) and invariant imbedding method (IIM) are two fundamentally different T-matrix methods for the solution of light scattering by nonspherical particles. The standard EBCM is very efficient but encounters a loss of precision when the particle size is large, the maximum size being sensitive to the particle aspect ratio. The IIM can be applied to particles in a relatively large size parameter range but requires extensive computational time due to the number of spherical layers in the particle volume discretization. A numerical combination of the EBCM and the IIM (hereafter, the EBCM+IIM) is proposed to overcome the aforementioned disadvantages of each method. Even though the EBCM can fail to obtain the T-matrix of a considered particle, it is valuable for decreasing the computational domain (i.e., the number of spherical layers) of the IIM by providing the initial T-matrix associated with an iterative procedure in the IIM. The EBCM+IIM is demonstrated to be more efficient than the IIM in obtaining the optical properties of large size parameter particles beyond the convergence limit of the EBCM. The numerical performance of the EBCM+IIM is illustrated through representative calculations in spheroidal and cylindrical particle cases.

  17. Polarized bidirectional reflectance of optically thick sparse particulate layers: An efficient numerically exact radiative-transfer solution

    NASA Astrophysics Data System (ADS)

    Mishchenko, Michael I.; Dlugach, Janna M.; Chowdhary, Jacek; Zakharova, Nadezhda T.

    2015-05-01

    We describe a simple yet efficient numerical algorithm for computing polarized bidirectional reflectance of an optically thick (semi-infinite), macroscopically flat layer composed of statistically isotropic and mirror symmetric random particles. The spatial distribution of the particles is assumed to be sparse, random, and statistically uniform. The 4×4 Stokes reflection matrix is calculated by iterating the Ambartsumian's vector nonlinear integral equation. The result is a numerically exact solution of the vector radiative transfer equation and as such fully satisfies the energy conservation law and the fundamental reciprocity relation. Since this technique bypasses the computation of the internal radiation field, it is very fast and highly accurate. The FORTRAN implementation of the technique is publicly available on the World Wide Web at

  18. An Efficient Grid Generation Method for Arbitrary Domains

    NASA Astrophysics Data System (ADS)

    Orme, Melissa; Huang, Changzheng

    1997-11-01

    This paper describes an efficient grid generation method for arbitrary or multiply connected domains. Our method, essentially based on the edge swapping techniques, combines the advantages of the Delaunay triangulation method and the advancing front method. The latter two methods are in popular use nowadays. But both suffer some limitations. Delaunay method generates high quality grid but grid may cut across the boundary in concave regions. Advancing front method works for general domain but may encounter difficulties where fronts have to be merged. The current method garantees the boundary integrity and attains the nice Delaunay features into the domain. This is achieved by carefully documenting the grid information so that each edge is readily identified to be inside or outside the domain; and (2) continuously swapping out those bad edges that destroy the Delaunay properties. The computer program built on this method allows users to control the grid density distribution by specifying typical grid sizes on a few chosen points. Interesting examples are demonstrated here. One of them is a circular domain with three letters APS inside. (see figure 1 and figure 2 ). Given a grid size for APS and another size for the circle, the program automatically generates a smooth triangular grid regardless of the complex multiply connected geometry.

  19. Numerical simulation: Toward the design of high-efficiency planar perovskite solar cells

    SciTech Connect

    Liu, Feng; Zhu, Jun E-mail: sydai@ipp.ac.cn; Wei, Junfeng; Li, Yi; Lv, Mei; Yang, Shangfeng; Zhang, Bing; Yao, Jianxi; Dai, Songyuan E-mail: sydai@ipp.ac.cn

    2014-06-23

    Organo-metal halide perovskite solar cells based on planar architecture have been reported to achieve remarkably high power conversion efficiency (PCE, >16%), rendering them highly competitive to the conventional silicon based solar cells. A thorough understanding of the role of each component in solar cells and their effects as a whole is still required for further improvement in PCE. In this work, the planar heterojunction-based perovskite solar cells were simulated with the program AMPS (analysis of microelectronic and photonic structures)-1D. Simulation results revealed a great dependence of PCE on the thickness and defect density of the perovskite layer. Meanwhile, parameters including the work function of the back contact as well as the hole mobility and acceptor density in hole transport materials were identified to significantly influence the performance of the device. Strikingly, an efficiency over 20% was obtained under the moderate simulation conditions.

  20. Development and elaboration of numerical method for simulating gas–liquid–solid three-phase flows based on particle method

    NASA Astrophysics Data System (ADS)

    Takahashi, Ryohei; Mamori, Hiroya; Yamamoto, Makoto

    2016-02-01

    A numerical method for simulating gas-liquid-solid three-phase flows based on the moving particle semi-implicit (MPS) approach was developed in this study. Computational instability often occurs in multiphase flow simulations if the deformations of the free surfaces between different phases are large, among other reasons. To avoid this instability, this paper proposes an improved coupling procedure between different phases in which the physical quantities of particles in different phases are calculated independently. We performed numerical tests on two illustrative problems: a dam-break problem and a solid-sphere impingement problem. The former problem is a gas-liquid two-phase problem, and the latter is a gas-liquid-solid three-phase problem. The computational results agree reasonably well with the experimental results. Thus, we confirmed that the proposed MPS method reproduces the interaction between different phases without inducing numerical instability.

  1. A Numerical Study of Three Moving-Grid Methods for One-Dimensional Partial Differential Equations Which Are Based on the Method of Lines

    NASA Astrophysics Data System (ADS)

    Furzeland, R. M.; Verwer, J. G.; Zegeling, P. A.

    1990-08-01

    In recent years, several sophisticated packages based on the method of lines (MOL) have been developed for the automatic numerical integration of time-dependent problems in partial differential equations (PDEs), notably for problems in one space dimension. These packages greatly benefit from the very successful developments of automatic stiff ordinary differential equation solvers. However, from the PDE point of view, they integrate only in a semiautomatic way in the sense that they automatically adjust the time step sizes, but use just a fixed space grid, chosen a priori, for the entire calculation. For solutions possessing sharp spatial transitions that move, e.g., travelling wave fronts or emerging boundary and interior layers, a grid held fixed for the entire calculation is computationally inefficient, since for a good solution this grid often must contain a very large number of nodes. In such cases methods which attempt automatically to adjust the sizes of both the space and the time steps are likely to be more successful in efficiently resolving critical regions of high spatial and temporal activity. Methods and codes that operate this way belong to the realm of adaptive or moving-grid methods. Following the MOL approach, this paper is devoted to an evaluation and comparison, mainly based on extensive numerical tests, of three moving-grid methods for 1D problems, viz., the finite-element method of Miller and co-workers, the method published by Petzold, and a method based on ideas adopted from Dorfi and Drury. Our examination of these three methods is aimed at assessing which is the most suitable from the point of view of retaining the acknowledged features of reliability, robustness, and efficiency of the conventional MOL approach. Therefore, considerable attention is paid to the temporal performance of the methods.

  2. Efficient two-component relativistic method for large systems

    NASA Astrophysics Data System (ADS)

    Nakai, Hiromi

    2015-12-01

    This paper reviews a series of theoretical studies to develop efficient two-component (2c) relativistic method for large systems by the author's group. The basic theory is the infinite-order Douglas-Kroll-Hess (IODKH) method for many-electron Dirac-Coulomb Hamiltonian. The local unitary transformation (LUT) scheme can effectively produce the 2c relativistic Hamiltonian, and the divide-and-conquer (DC) method can achieve linear-scaling of Hartree-Fock and electron correlation methods. The frozen core potential (FCP) theoretically connects model potential calculations with the all-electron ones. The accompanying coordinate expansion with a transfer recurrence relation (ACE-TRR) scheme accelerates the computations of electron repulsion integrals with high angular momenta and long contractions.

  3. Efficient two-component relativistic method for large systems

    SciTech Connect

    Nakai, Hiromi

    2015-12-31

    This paper reviews a series of theoretical studies to develop efficient two-component (2c) relativistic method for large systems by the author’s group. The basic theory is the infinite-order Douglas-Kroll-Hess (IODKH) method for many-electron Dirac-Coulomb Hamiltonian. The local unitary transformation (LUT) scheme can effectively produce the 2c relativistic Hamiltonian, and the divide-and-conquer (DC) method can achieve linear-scaling of Hartree-Fock and electron correlation methods. The frozen core potential (FCP) theoretically connects model potential calculations with the all-electron ones. The accompanying coordinate expansion with a transfer recurrence relation (ACE-TRR) scheme accelerates the computations of electron repulsion integrals with high angular momenta and long contractions.

  4. Efficient and stable exponential time differencing Runge-Kutta methods for phase field elastic bending energy models

    NASA Astrophysics Data System (ADS)

    Wang, Xiaoqiang; Ju, Lili; Du, Qiang

    2016-07-01

    The Willmore flow formulated by phase field dynamics based on the elastic bending energy model has been widely used to describe the shape transformation of biological lipid vesicles. In this paper, we develop and investigate some efficient and stable numerical methods for simulating the unconstrained phase field Willmore dynamics and the phase field Willmore dynamics with fixed volume and surface area constraints. The proposed methods can be high-order accurate and are completely explicit in nature, by combining exponential time differencing Runge-Kutta approximations for time integration with spectral discretizations for spatial operators on regular meshes. We also incorporate novel linear operator splitting techniques into the numerical schemes to improve the discrete energy stability. In order to avoid extra numerical instability brought by use of large penalty parameters in solving the constrained phase field Willmore dynamics problem, a modified augmented Lagrange multiplier approach is proposed and adopted. Various numerical experiments are performed to demonstrate accuracy and stability of the proposed methods.

  5. A numerical investigation of the finite element method in compressible primitive variable Navier-Stokes flow

    NASA Technical Reports Server (NTRS)

    Cook, C. H.

    1977-01-01

    The results of a comprehensive numerical investigation of the basic capabilities of the finite element method (FEM) for numerical solution of compressible flow problems governed by the two-dimensional and axis-symmetric Navier-Stokes equations in primitive variables are presented. The strong and weak points of the method as a tool for computational fluid dynamics are considered. The relation of the linear element finite element method to finite difference methods (FDM) is explored. The calculation of free shear layer and separated flows over aircraft boattail afterbodies with plume simulators indicate the strongest assets of the method are its capabilities for reliable and accurate calculation employing variable grids which readily approximate complex geometry and capably adapt to the presence of diverse regions of large solution gradients without the necessity of domain transformation.

  6. Numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory

    NASA Technical Reports Server (NTRS)

    Ramos, J. I.

    1987-01-01

    A review of numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory is presented. The methods reviewed include explicit, implicit, quasi-linearization, time linearization, operator-splitting, random walk and finite-element techniques and methods of lines. Adaptive and nonadaptive procedures are also reviewed. These techniques are applied first to solve two model problems which have exact traveling wave solutions with which the numerical results can be compared. This comparison is performed in terms of both the wave profile and computed wave speed. It is shown that the computed wave speed is not a good indicator of the accuracy of a particular method. A fourth-order time-linearized, Hermitian compact operator technique is found to be the most accurate method for a variety of time and space sizes.

  7. A Penalty Method for the Numerical Solution of Hamilton-Jacobi-Bellman (HJB) Equations in Finance

    NASA Astrophysics Data System (ADS)

    Witte, J. H.; Reisinger, C.

    2010-09-01

    We present a simple and easy to implement method for the numerical solution of a rather general class of Hamilton-Jacobi-Bellman (HJB) equations. In many cases, the considered problems have only a viscosity solution, to which, fortunately, many intuitive (e.g. finite difference based) discretisations can be shown to converge. However, especially when using fully implicit time stepping schemes with their desireable stability properties, one is still faced with the considerable task of solving the resulting nonlinear discrete system. In this paper, we introduce a penalty method which approximates the nonlinear discrete system to an order of O(1/ρ), where ρ>0 is the penalty parameter, and we show that an iterative scheme can be used to solve the penalised discrete problem in finitely many steps. We include a number of examples from mathematical finance for which the described approach yields a rigorous numerical scheme and present numerical results.

  8. Termination of the MRI via parasitic instabilities in core-collapse supernovae: influence of numerical methods

    NASA Astrophysics Data System (ADS)

    Rembiasz, T.; Obergaulinger, M.; Cerdá-Durán, P.; Aloy, M. Á.; Müller, E.

    2016-05-01

    We study the influence of numerical methods and grid resolution on the termination of the magnetorotational instability (MRI) by means of parasitic instabilities in threedimensional shearing-disc simulations reproducing typical conditions found in core-collapse supernovae. Whether or not the MRI is able to amplify weak magnetic fields in this context strongly depends, among other factors, on the amplitude at which its growth terminates. The qualitative results of our study do not depend on the numerical scheme. In all our models, MRI termination is caused by Kelvin-Helmholtz instabilities, consistent with theoretical predictions. Quantitatively, however, there are differences, but numerical convergence can be achieved even at relatively low grid resolutions if high-order reconstruction methods are used.

  9. High-efficiency solar cell and method for fabrication

    DOEpatents

    Hou, Hong Q.; Reinhardt, Kitt C.

    1999-01-01

    A high-efficiency 3- or 4-junction solar cell is disclosed with a theoretical AM0 energy conversion efficiency of about 40%. The solar cell includes p-n junctions formed from indium gallium arsenide nitride (InGaAsN), gallium arsenide (GaAs) and indium gallium aluminum phosphide (InGaAlP) separated by n-p tunnel junctions. An optional germanium (Ge) p-n junction can be formed in the substrate upon which the other p-n junctions are grown. The bandgap energies for each p-n junction are tailored to provide substantially equal short-circuit currents for each p-n junction, thereby eliminating current bottlenecks and improving the overall energy conversion efficiency of the solar cell. Additionally, the use of an InGaAsN p-n junction overcomes super-bandgap energy losses that are present in conventional multi-junction solar cells. A method is also disclosed for fabricating the high-efficiency 3- or 4-junction solar cell by metal-organic chemical vapor deposition (MOCVD).

  10. High-efficiency solar cell and method for fabrication

    DOEpatents

    Hou, H.Q.; Reinhardt, K.C.

    1999-08-31

    A high-efficiency 3- or 4-junction solar cell is disclosed with a theoretical AM0 energy conversion efficiency of about 40%. The solar cell includes p-n junctions formed from indium gallium arsenide nitride (InGaAsN), gallium arsenide (GaAs) and indium gallium aluminum phosphide (InGaAlP) separated by n-p tunnel junctions. An optional germanium (Ge) p-n junction can be formed in the substrate upon which the other p-n junctions are grown. The bandgap energies for each p-n junction are tailored to provide substantially equal short-circuit currents for each p-n junction, thereby eliminating current bottlenecks and improving the overall energy conversion efficiency of the solar cell. Additionally, the use of an InGaAsN p-n junction overcomes super-bandgap energy losses that are present in conventional multi-junction solar cells. A method is also disclosed for fabricating the high-efficiency 3- or 4-junction solar cell by metal-organic chemical vapor deposition (MOCVD). 4 figs.

  11. An efficient two-phase L(1)-TV method for restoring blurred images with impulse noise.

    PubMed

    Chan, Raymond H; Dong, Yiqiu; Hintermüller, Michael

    2010-07-01

    A two-phase image restoration method based upon total variation regularization combined with an L(1)-data-fitting term for impulse noise removal and deblurring is proposed. In the first phase, suitable noise detectors are used for identifying image pixels contaminated by noise. Then, in the second phase, based upon the information on the location of noise-free pixels, images are deblurred and denoised simultaneously. For efficiency reasons, in the second phase a superlinearly convergent algorithm based upon Fenchel-duality and inexact semismooth Newton techniques is utilized for solving the associated variational problem. Numerical results prove the new method to be a significantly advance over several state-of-the-art techniques with respect to restoration capability and computational efficiency.

  12. Numerical method for the solution of large systems of differential equations of the boundary layer type

    NASA Technical Reports Server (NTRS)

    Green, M. J.; Nachtsheim, P. R.

    1972-01-01

    A numerical method for the solution of large systems of nonlinear differential equations of the boundary-layer type is described. The method is a modification of the technique for satisfying asymptotic boundary conditions. The present method employs inverse interpolation instead of the Newton method to adjust the initial conditions of the related initial-value problem. This eliminates the so-called perturbation equations. The elimination of the perturbation equations not only reduces the user's preliminary work in the application of the method, but also reduces the number of time-consuming initial-value problems to be numerically solved at each iteration. For further ease of application, the solution of the overdetermined system for the unknown initial conditions is obtained automatically by applying Golub's linear least-squares algorithm. The relative ease of application of the proposed numerical method increases directly as the order of the differential-equation system increases. Hence, the method is especially attractive for the solution of large-order systems. After the method is described, it is applied to a fifth-order problem from boundary-layer theory.

  13. An efficient formulation based on the Lagrangian method for contact-impact analysis of flexible multi-body system

    NASA Astrophysics Data System (ADS)

    Chen, Peng; Liu, Jin-Yang; Hong, Jia-Zhen

    2016-04-01

    In this paper, an efficient formulation based on the Lagrangian method is presented to investigate the contact-impact problems of flexible multi-body systems. Generally, the penalty method and the Hertz contact law are the most commonly used methods in engineering applications. However, these methods are highly dependent on various non-physical parameters, which have great effects on the simulation results. Moreover, a tremendous number of degrees of freedom in the contact-impact problems will influence the numerical efficiency significantly. With the consideration of these two problems, a formulation combining the component mode synthesis method and the Lagrangian method is presented to investigate the contact-impact problems in flexible multi-body system numerically. Meanwhile, the finite element meshing laws of the contact bodies will be studied preliminarily. A numerical example with experimental verification will certify the reliability of the presented formulation in contact-impact analysis. Furthermore, a series of numerical investigations explain how great the influence of the finite element meshing has on the simulation results. Finally the limitations of the element size in different regions are summarized to satisfy both the accuracy and efficiency.

  14. An Experimental Comparison of Two Methods Of Teaching Numerical Control Manual Programming Concepts; Visual Media Versus Hands-On Equipment.

    ERIC Educational Resources Information Center

    Biekert, Russell

    Accompanying the rapid changes in technology has been a greater dependence on automation and numerical control, which has resulted in the need to find ways of preparing programers for industrial machines using numerical control. To compare the hands-on equipment method and a visual media method of teaching numerical control, an experimental and a…

  15. Feeding methods and efficiencies of selected frugivorous birds

    USGS Publications Warehouse

    Foster, M.S.

    1987-01-01

    I report on handling methods and efficiencies of 26 species of Paraguayan birds freeding on fruits of Allophyllus edulis (Sapindaceae). A bird may swallow fruits whole (Type I: pluck and swallow feeders), hold a fruit and cut the pulp from the seed with the edge of the bill, swallowing the pulp but not the seed (Type II: cut or mash feeders), or take bites of pulp from a fruit that hangs from the tree or that is held and manipulated against a branch (Type III: push and bite feeders). In terms of absolute amount of pulp obtained from a fruit, and amount obtained per unit time. Type I species are far more efficient than Type II and III species. Bill morphology influences feeding methods but is not the only important factor. Diet breadth does not appear to be significant. Consideration of feeding efficiency relative to the needs of the birds indicates that these species need to spend relatively little time feeding to meet their estimated energetic needs, and that handling time has a relatively trivial effect on the time/energy budges of the bird species observed.

  16. An Efficient Method to Obtain Dedifferentiated Fat Cells.

    PubMed

    Taniguchi, Hiroaki; Kazama, Tomohiko; Hagikura, Kazuhiro; Yamamoto, Chii; Kazama, Minako; Nagaoka, Yuki; Matsumoto, Taro

    2016-01-01

    Tissue engineering and cell therapy hold great promise clinically. In this regard, multipotent cells, such as mesenchymal stem cells (MSCs), may be used therapeutically, in the near future, to restore function to damaged organs. Nevertheless, several technical issues, including the highly invasive procedure of isolating MSCs and the inefficiency surrounding their amplification, currently hamper the potential clinical use of these therapeutic modalities. Herein, we introduce a highly efficient method for the generation of dedifferentiated fat cells (DFAT), MSC-like cells. Interestingly, DFAT cells can be differentiated into several cell types including adipogenic, osteogenic, and chondrogenic cells. Although other groups have previously presented various methods for generating DFAT cells from mature adipose tissue, our method allows us to produce DFAT cells more efficiently. In this regard, we demonstrate that DFAT culture medium (DCM), supplemented with 20% FBS, is more effective in generating DFAT cells than DMEM, supplemented with 20% FBS. Additionally, the DFAT cells produced by our cell culture method can be redifferentiated into several tissue types. As such, a very interesting and useful model for the study of tissue dedifferentiation is presented. PMID:27500409

  17. Numerical simulation of rip-raps with the distinct element method

    NASA Astrophysics Data System (ADS)

    Mittelbach, Livia

    2013-06-01

    and costal shores. They have to resist hydraulic loads such as ship and wind induced waves, tidal and ship induced currents, tidal varying water levels and storm surges. The numerical modelling of rip-rap revetments is undertaken by using the Distinct Element Method in three dimensions. With the DEM rip-rap stones can be modelled as autonomous objects with any degrees of freedom. Typical shapes of stones are formed by using clumped spherical particles. A method for the generation of the rip-rap stones based on geometrical and probabilistic parameters has been developed in order to generate stones with a realistic size and mass distribution. The DEM program is coupled with a computational fluid dynamics program to account for the influence of the hydraulic loads on the rip-rap stones. The acting forces can be simulated realistically for waves, currents and tidal varying water levels. Field measurements and model tests serve as validation for the numerical model. Physical model tests are carried out in a hydraulic flume with an instrumented rip-rap section for the calibration of the numerical stones material parameters. The behaviour of the particles depends on properties such as density, friction coefficient, normal and shear stiffness as well as the accuracy of the numerical representation of the rip-rap stones. Influences on the accuracy of the modelling of rip-raps with regard to the variation of these parameters are examined by comparing the results of the physical flume tests and numerical model.

  18. Methods for numerical study of tube bundle vibrations in cross-flows

    NASA Astrophysics Data System (ADS)

    Longatte, E.; Bendjeddou, Z.; Souli, M.

    2003-11-01

    In many industrial applications, mechanical structures like heat exchanger tube bundles are subjected to complex flows causing possible vibrations and damage. Part of fluid forces are coupled with tube motion and the so-called fluid-elastic forces can affect the structure dynamic behaviour generating possible instabilities and leading to possible short term failures through high amplitude vibrations. Most classical fluid force identification methods rely on structure response experimental measurements associated with convenient data processes. Owing to recent improvements in Computational Fluid Dynamics, numerical simulation of flow-induced vibrations is now practicable for industrial purposes. The present paper is devoted to the numerical identification of fluid-elastic effects affecting tube bundle motion in presence of fluid at rest and one-phase cross-flows. What is the numerical process? When fluid-elastic effects are not significant and are restricted to added mass effects, there is no strong coupling between structure and fluid motions. The structure displacement is not supposed to affect flow patterns. Thus it is possible to solve flow and structure problems separately by using a fixed nonmoving mesh for the fluid dynamic computation. Power spectral density and time record of lift and drag forces acting on tube bundles can be computed numerically by using an unsteady fluid computation involving for example a large Eddy simulation. Fluid force spectra or time record can then be introduced as inlet conditions into the structure code providing the tube dynamic response generated by flow. Such a computation is not possible in presence of strong flow structure coupling. When fluid-elastic effects cannot be neglected, in presence of tube bundles subjected to cross-flows for example, a coupling between flow and structure computations is required. Appropriate numerical methods are investigated in the present work. The purpose is to be able to provide a numerical

  19. Interactive Computing With a Programmable Calculator; Student Experimentations in Numerical Methods.

    ERIC Educational Resources Information Center

    Gerald, Curtis F.

    Programable desk calculators can provide students with personal experience in the use of numerical methods. Courses at California Polytechnic State University at San Luis Obispo use the Compucorp Model 025 Educator Experiences with it as a teaching device for solving non-linear equations and differential equations show that students can by-pass…

  20. Abstract Applets: A Method for Integrating Numerical Problem Solving into the Undergraduate Physics Curriculum

    SciTech Connect

    Peskin, Michael E

    2003-02-13

    In upper-division undergraduate physics courses, it is desirable to give numerical problem-solving exercises integrated naturally into weekly problem sets. I explain a method for doing this that makes use of the built-in class structure of the Java programming language. I also supply a Java class library that can assist instructors in writing programs of this type.

  1. Numerical analysis on thermal characteristics and ice melting efficiency for microwave deicing vehicle

    NASA Astrophysics Data System (ADS)

    Wang, Can; Yang, Bo; Tan, Gangfeng; Guo, Xuexun; Zhou, Li; Xiong, Shengguang

    2016-05-01

    In the high latitudes, the icy patches on the road are frequently generated and have a wide distribution, which are difficult to remove and obviously affect the normal usage of the highways, bridges and airport runways. Physical deicing, such as microwave (MW) deicing, help the ice melt completely through heating mode and then the ice layer can be swept away. Though it is no pollution and no damage to the ground, the low efficiency hinders the development of MW deicing vehicle equipped without sufficient speed. In this work, the standard evaluation of deicing is put forward firstly. The intensive MW deicing is simplified to ice melting process characterized by one-dimensional slab with uniform volumetric energy generation, which results in phase transformation and interface motion between ice and water. The heating process is split into the superposition of three parts — non-heterogeneous heating for ground without phase change, heat transfer with phase change and the heat convection between top surface of ice layer and flow air. Based on the transient heat conduction theory, a mathematical model, combining electromagnetic and two-phase thermal conduction, is proposed in this work, which is able to reveal the relationship between the deicing efficiency and ambient conditions, as well as energy generation and material parameters. Using finite difference time-domain, this comprehensive model is developed to solve the moving boundary heat transfer problem in a one-dimensional structured gird. As a result, the stimulation shows the longitudinal temperature distributions in all circumstances and quantitative validation is obtained by comparing simulated temperature distributions under different conditions. In view of the best economy and fast deicing, these analytic solutions referring to the complex influence factors of deicing efficiency demonstrate the optimal matching for the new deicing design.

  2. Numerical assessment of efficiency and control stability of an HTS synchronous motor

    NASA Astrophysics Data System (ADS)

    Xian, Wei; Yuan, Weijia; Coombs, T. A.

    2010-06-01

    A high temperature superconducting (HTS) permanent magnet synchronous motor (PMSM) is designed and developed in Cambridge University. It is expected to become cost competitive with the conventional PMSM owing to its high efficiency, high power density, high torque density, etc. The structure and parameters of HTS PMSM are detailed. Both AC losses by transport current and applied filed in stator armature winding of HTS PMSM are also analyzed. Computed and simulated results of the characteristics of the HTS PMSM and conventional PMSM are compared. The improvement on stability of direct torque control (DTC) on the HTS PMSM is estimated, and proved by simulation on Matlab/Simulink.

  3. Energy efficiency vs. performance of the numerical solution of PDEs: An application study on a low-power ARM-based cluster

    NASA Astrophysics Data System (ADS)

    Göddeke, Dominik; Komatitsch, Dimitri; Geveler, Markus; Ribbrock, Dirk; Rajovic, Nikola; Puzovic, Nikola; Ramirez, Alex

    2013-03-01

    Power consumption and energy efficiency are becoming critical aspects in the design and operation of large scale HPC facilities, and it is unanimously recognised that future exascale supercomputers will be strongly constrained by their power requirements. At current electricity costs, operating an HPC system over its lifetime can already be on par with the initial deployment cost. These power consumption constraints, and the benefits a more energy-efficient HPC platform may have on other societal areas, have motivated the HPC research community to investigate the use of energy-efficient technologies originally developed for the embedded and especially mobile markets. However, lower power does not always mean lower energy consumption, since execution time often also increases. In order to achieve competitive performance, applications then need to efficiently exploit a larger number of processors. In this article, we discuss how applications can efficiently exploit this new class of low-power architectures to achieve competitive performance. We evaluate if they can benefit from the increased energy efficiency that the architecture is supposed to achieve. The applications that we consider cover three different classes of numerical solution methods for partial differential equations, namely a low-order finite element multigrid solver for huge sparse linear systems of equations, a Lattice-Boltzmann code for fluid simulation, and a high-order spectral element method for acoustic or seismic wave propagation modelling. We evaluate weak and strong scalability on a cluster of 96 ARM Cortex-A9 dual-core processors and demonstrate that the ARM-based cluster can be more efficient in terms of energy to solution when executing the three applications compared to an x86-based reference machine.

  4. Filtration method efficiently desalts crude in commercial test

    SciTech Connect

    Not Available

    1993-05-17

    During 3 months of industrial testing of a filtration crude oil desalting method, a total of 120,500 metric tons (mt), or 1,475 mt/d (almost 11,000 b/d) of crude was processed. Rongxi Du, Kai Peng, and Li Wang, engineers at Wuhan Petrochemical Works, Wuhan, China, in an unpublished report, indicate that they determined unit operating parameters and performed statistical analyses of desalting-efficiency data from the test run. The engineers also determined relationships between desalting efficiency and flow velocity, relative density, mixing pressure drop (MPD), filtration-tank pressure drop, and temperature. The desalting and dewatering level of single-stage filtrations desalting was found to be equal to that of two-stage electrostatic desalting with remarkable benefits resulting from reduced power, water, and demulsifier requirements. This paper describes the filtration desalting, test parameters, performance results, and filter revivification.

  5. System and method to determine electric motor efficiency nonintrusively

    DOEpatents

    Lu, Bin; Habetler, Thomas G.; Harley, Ronald G.

    2011-08-30

    A system and method for nonintrusively determining electric motor efficiency includes a processor programed to, while the motor is in operation, determine a plurality of stator input currents, electrical input data, a rotor speed, a value of stator resistance, and an efficiency of the motor based on the determined rotor speed, the value of stator resistance, the plurality of stator input currents, and the electrical input data. The determination of the rotor speed is based on one of the input power and the plurality of stator input currents. The determination of the value of the stator resistance is based on at least one of a horsepower rating and a combination of the plurality of stator input currents and the electrical input data. The electrical input data includes at least one of an input power and a plurality of stator input voltages.

  6. Stiffness matrix method with improved efficiency for elastic wave propagation in layered anisotropic media

    NASA Astrophysics Data System (ADS)

    Tan, Eng Leong

    2005-12-01

    This paper presents the recursive algorithm of stiffness matrix method with improved efficiency for computing the total and surface stiffness matrices for a general multilayered anisotropic media. Based on the eigensolutions commonly available for analysis of such media, the recursive algorithm deals with eigen-submatrices directly and bypasses all intermediate layer stiffness submatrices. The improved algorithm obviates the need to compute certain inverse of the original scheme and makes the stiffness matrix recursion more robust. In situation where transfer matrix is numerically stable and easily accessible, an improved recursive algorithm is also given directly in terms of transfer submatrices without involving their explicit inverse.

  7. Evaluation of Injection Efficiency of Carbon Dioxide Using an Integrated Injection Well and Geologic Formation Numerical Simulation Scheme

    NASA Astrophysics Data System (ADS)

    Kihm, J.; Park, S.; Kim, J.; SNU CO2 GEO-SEQ TEAM

    2011-12-01

    A series of integrated injection well and geologic formation numerical simulations was performed to evaluate the injection efficiency of carbon dioxide using a multiphase thermo-hydrological numerical model. The numerical simulation results show that groundwater flow, carbon dioxide flow, and heat transport in both injection well and sandstone formation can be simultaneously analyzed, and thus the injection efficiency (i.e., injection rate and injectivity) of carbon dioxide can be quantitatively evaluated using the integrated injection well and geologic formation numerical simulation scheme. The injection rate and injectivity of carbon dioxide increase rapidly during the early period of time (about 10 days) and then increase slightly up to about 2.07 kg/s (equivalent to 0.065 Mton/year) and about 2.84 × 10-7 kg/s/Pa, respectively, until 10 years for the base case. The sensitivity test results show that the injection pressure and temperature of carbon dioxide at the wellhead have significant impacts on its injection rate and injectivity. The vertical profile of the fluid pressure in the injection well becomes almost a hydrostatical equilibrium state within 1 month for all the cases. The vertical profile of the fluid temperature in the injection well becomes a monotonously increasing profile with the depth due to isenthalpic or adiabatic compression within 6 months for all the cases. The injection rate of carbon dioxide increases linearly with the fluid pressure difference between the well bottom and the sandstone formation far from the injection well. In contrast, the injectivity of carbon dioxide varies unsystematically with the fluid pressure difference. On the other hand, the reciprocal of the kinematic viscosity of carbon dioxide at the well bottom has an excellent linear relationship with the injectivity of carbon dioxide. It indicates that the above-mentioned variation of the injectivity of carbon dioxide can be corrected using this linear relationship. The

  8. Numerical Simulation of Parachute Inflation Process Using AN Overset Deforming Grids Method

    NASA Astrophysics Data System (ADS)

    Xia, Jian; Tian, Shuling; Wu, Yizhao

    A numerical method for the simulation of parachute inflation process is presented in this paper. The unsteady compressible N-S equations are fully coupled with MSD (Mass Spring Damper) structure model and integrated forward in time. The CFD solver is based on an unstructured finite volume algorithm and the preconditioning technique is applied to alleviate the stiffness caused by low Mach number. The Spalart-Allmaras one-equation turbulence model is implemented to evaluate the turbulent viscosity. The whole system (fluid equations and structural model equations) is marched implicitly in time using a dual time stepping method. An overset deforming grids method is adopted in this paper to deal with the very large domain deformation during the parachute inflation process. Finally numerical test is performed to validate the robustness of this method.

  9. Software system for numerical simulation of minor gas constituents lidar sensing by the differential absorption method

    NASA Astrophysics Data System (ADS)

    Bochkovskii, D. A.; Matvienko, G. G.; Romanovskii, O. A.; Kharchenko, O. V.; Yakovlev, S. V.

    2014-11-01

    This paper reports the development of LIDAS (LIdar Differential Absorption Sensing) program-algorithmic system for laser remote sensing of minor gas constituents (MGCs) of the atmosphere by the differential absorption method (DIAL). The system includes modules for the search of wavelengths informative for laser gas analysis by the differential absorption method, for numerical simulation of lidar sensing of atmospheric MGCs, and for calculation of errors of methodical, atmospheric, spectral, and instrumental origin. Lidar sensing of gas constituents by the differential absorption method as applied to problems of sensing of atmospheric MGCs is simulated numerically. Results of experiments on remote sensing of gas constituents of the atmosphere with the use of RO laser are presented.

  10. L1/2 regularization based numerical method for effective reconstruction of bioluminescence tomography

    NASA Astrophysics Data System (ADS)

    Chen, Xueli; Yang, Defu; Zhang, Qitan; Liang, Jimin

    2014-05-01

    Even though bioluminescence tomography (BLT) exhibits significant potential and wide applications in macroscopic imaging of small animals in vivo, the inverse reconstruction is still a tough problem that has plagued researchers in a related area. The ill-posedness of inverse reconstruction arises from insufficient measurements and modeling errors, so that the inverse reconstruction cannot be solved directly. In this study, an l1/2 regularization based numerical method was developed for effective reconstruction of BLT. In the method, the inverse reconstruction of BLT was constrained into an l1/2 regularization problem, and then the weighted interior-point algorithm (WIPA) was applied to solve the problem through transforming it into obtaining the solution of a series of l1 regularizers. The feasibility and effectiveness of the proposed method were demonstrated with numerical simulations on a digital mouse. Stability verification experiments further illustrated the robustness of the proposed method for different levels of Gaussian noise.

  11. Numerical Manifold Method for the Forced Vibration of Thin Plates during Bending

    PubMed Central

    Jun, Ding; Song, Chen; Wei-Bin, Wen; Shao-Ming, Luo; Xia, Huang

    2014-01-01

    A novel numerical manifold method was derived from the cubic B-spline basis function. The new interpolation function is characterized by high-order coordination at the boundary of a manifold element. The linear elastic-dynamic equation used to solve the bending vibration of thin plates was derived according to the principle of minimum instantaneous potential energy. The method for the initialization of the dynamic equation and its solution process were provided. Moreover, the analysis showed that the calculated stiffness matrix exhibited favorable performance. Numerical results showed that the generalized degrees of freedom were significantly fewer and that the calculation accuracy was higher for the manifold method than for the conventional finite element method. PMID:24883403

  12. Highly efficient and controllable method to fabricate ultrafine metallic nanostructures

    NASA Astrophysics Data System (ADS)

    Cai, Hongbing; Zhang, Kun; Yu, Xinxin; Pan, Nan; Tian, Yangchao; Luo, Yi; Wang, Xiaoping

    2015-11-01

    We report a highly efficient, controllable and scalable method to fabricate various ultrafine metallic nanostructures in this paper. The method starts with the negative poly-methyl-methacrylate (PMMA) resist pattern with line-width superior to 20 nm, which is obtained from overexposing of the conventionally positive PMMA under a low energy electron beam. The pattern is further shrunk to sub-10 nm line-width through reactive ion etching. Using the patter as a mask, we can fabricate various ultrafine metallic nanostructures with the line-width even less than 10 nm. This ion tailored mask lithography (ITML) method enriches the top-down fabrication strategy and provides potential opportunity for studying quantum effects in a variety of materials.

  13. Efficient method of image edge detection based on FSVM

    NASA Astrophysics Data System (ADS)

    Cai, Aiping; Xiong, Xiaomei

    2013-07-01

    For efficient object cover edge detection in digital images, this paper studied traditional methods and algorithm based on SVM. It analyzed Canny edge detection algorithm existed some pseudo-edge and poor anti-noise capability. In order to provide a reliable edge extraction method, propose a new detection algorithm based on FSVM. Which contains several steps: first, trains classify sample and gives the different membership function to different samples. Then, a new training sample is formed by increase the punishment some wrong sub-sample, and use the new FSVM classification model for train and test them. Finally the edges are extracted of the object image by using the model. Experimental result shows that good edge detection image will be obtained and adding noise experiments results show that this method has good anti-noise.

  14. Highly efficient and controllable method to fabricate ultrafine metallic nanostructures

    SciTech Connect

    Cai, Hongbing; Zhang, Kun; Pan, Nan E-mail: xpwang@ustc.edu.cn; Luo, Yi; Wang, Xiaoping E-mail: xpwang@ustc.edu.cn; Yu, Xinxin; Tian, Yangchao

    2015-11-15

    We report a highly efficient, controllable and scalable method to fabricate various ultrafine metallic nanostructures in this paper. The method starts with the negative poly-methyl-methacrylate (PMMA) resist pattern with line-width superior to 20 nm, which is obtained from overexposing of the conventionally positive PMMA under a low energy electron beam. The pattern is further shrunk to sub-10 nm line-width through reactive ion etching. Using the patter as a mask, we can fabricate various ultrafine metallic nanostructures with the line-width even less than 10 nm. This ion tailored mask lithography (ITML) method enriches the top-down fabrication strategy and provides potential opportunity for studying quantum effects in a variety of materials.

  15. A method for efficient calculation of diffusion and reactions of lipophilic compounds in complex cell geometry.

    PubMed

    Dreij, Kristian; Chaudhry, Qasim Ali; Jernström, Bengt; Morgenstern, Ralf; Hanke, Michael

    2011-01-01

    A general description of effects of toxic compounds in mammalian cells is facing several problems. Firstly, most toxic compounds are hydrophobic and partition phenomena strongly influence their behaviour. Secondly, cells display considerable heterogeneity regarding the presence, activity and distribution of enzymes participating in the metabolism of foreign compounds i.e. bioactivation/biotransformation. Thirdly, cellular architecture varies greatly. Taken together, complexity at several levels has to be addressed to arrive at efficient in silico modelling based on physicochemical properties, metabolic preferences and cell characteristics. In order to understand the cellular behaviour of toxic foreign compounds we have developed a mathematical model that addresses these issues. In order to make the system numerically treatable, methods motivated by homogenization techniques have been applied. These tools reduce the complexity of mathematical models of cell dynamics considerably thus allowing to solve efficiently the partial differential equations in the model numerically on a personal computer. Compared to a compartment model with well-stirred compartments, our model affords a more realistic representation. Numerical results concerning metabolism and chemical solvolysis of a polycyclic aromatic hydrocarbon carcinogen show good agreement with results from measurements in V79 cell culture. The model can easily be extended and refined to include more reactants, and/or more complex reaction chains, enzyme distribution etc, and is therefore suitable for modelling cellular metabolism involving membrane partitioning also at higher levels of complexity.

  16. An efficient method for nonnegatively constrained Total Variation-based denoising of medical images corrupted by Poisson noise.

    PubMed

    Landi, G; Piccolomini, E Loli

    2012-01-01

    Medical images obtained with emission processes are corrupted by noise of Poisson type. In the paper the denoising problem is modeled in a Bayesian statistical setting by a nonnegatively constrained minimization problem, where the objective function is constituted by a data fitting term, the Kullback-Leibler divergence, plus a regularization term, the Total Variation function, weighted by a regularization parameter. Aim of the paper is to propose an efficient numerical method for the solution of the constrained problem. The method is a Newton projection method, where the inner system is solved by the Conjugate Gradient method, preconditioned and implemented in an efficient way for this specific application. The numerical results on simulated and real medical images prove the effectiveness of the method, both for the accuracy and the computational cost.

  17. Applications of numerical optimization methods to helicopter design problems: A survey

    NASA Technical Reports Server (NTRS)

    Miura, H.

    1984-01-01

    A survey of applications of mathematical programming methods is used to improve the design of helicopters and their components. Applications of multivariable search techniques in the finite dimensional space are considered. Five categories of helicopter design problems are considered: (1) conceptual and preliminary design, (2) rotor-system design, (3) airframe structures design, (4) control system design, and (5) flight trajectory planning. Key technical progress in numerical optimization methods relevant to rotorcraft applications are summarized.

  18. Analysis of the water film behavior and its breakup on profile using experimental and numerical methods

    NASA Astrophysics Data System (ADS)

    Muzik, Tomas; Safarik, Pavel; Tucek, Antonín

    2014-08-01

    This paper deals with the description of water film behaviour on the airfoil NACA0012 using experimental and numerical methods. Properties of the water film on the profile and its breakup into droplets behind the profile are investigated in the aerodynamic tunnel and using CFD methods. The characteristic parameters of the water film, like its thickness and shape for different flow modes are described. Hereafter are described droplets drifted by the air, which water film is broken behind the profile.

  19. Numerical simulation of dynamic processes in biomechanics using the grid-characteristic method

    NASA Astrophysics Data System (ADS)

    Beklemysheva, K. A.; Vasyukov, A. V.; Petrov, I. B.

    2015-08-01

    Results of the numerical simulation of mechanical processes occurring in biological tissues under dynamic actions are presented. The grid-characteristic method on unstructured grids is used to solve the system of equations of mechanics of deformable solids; this method takes into account the characteristic properties of the constitutive system of partial differential equations and produces adequate algorithms on interfaces between media and on the boundaries of integration domains.

  20. Efficient Procedure for the Numerical Calculation of Harmonic Vibrational Frequencies Based on Internal Coordinates

    SciTech Connect

    Miliordos, Evangelos; Xantheas, Sotiris S.

    2013-08-15

    We propose a general procedure for the numerical calculation of the harmonic vibrational frequencies that is based on internal coordinates and Wilson’s GF methodology via double differentiation of the energy. The internal coordinates are defined as the geometrical parameters of a Z-matrix structure, thus avoiding issues related to their redundancy. Linear arrangements of atoms are described using a dummy atom of infinite mass. The procedure has been automated in FORTRAN90 and its main advantage lies in the nontrivial reduction of the number of single-point energy calculations needed for the construction of the Hessian matrix when compared to the corresponding number using double differentiation in Cartesian coordinates. For molecules of C1 symmetry the computational savings in the energy calculations amount to 36N – 30, where N is the number of atoms, with additional savings when symmetry is present. Typical applications for small and medium size molecules in their minimum and transition state geometries as well as hydrogen bonded clusters (water dimer and trimer) are presented. Finally, in all cases the frequencies based on internal coordinates differ on average by <1 cm–1 from those obtained from Cartesian coordinates.

  1. Efficient procedure for the numerical calculation of harmonic vibrational frequencies based on internal coordinates.

    PubMed

    Miliordos, Evangelos; Xantheas, Sotiris S

    2013-08-15

    We propose a general procedure for the numerical calculation of the harmonic vibrational frequencies that is based on internal coordinates and Wilson's GF methodology via double differentiation of the energy. The internal coordinates are defined as the geometrical parameters of a Z-matrix structure, thus avoiding issues related to their redundancy. Linear arrangements of atoms are described using a dummy atom of infinite mass. The procedure has been automated in FORTRAN90 and its main advantage lies in the nontrivial reduction of the number of single-point energy calculations needed for the construction of the Hessian matrix when compared to the corresponding number using double differentiation in Cartesian coordinates. For molecules of C1 symmetry the computational savings in the energy calculations amount to 36N - 30, where N is the number of atoms, with additional savings when symmetry is present. Typical applications for small and medium size molecules in their minimum and transition state geometries as well as hydrogen bonded clusters (water dimer and trimer) are presented. In all cases the frequencies based on internal coordinates differ on average by <1 cm(-1) from those obtained from Cartesian coordinates.

  2. Experimental and numerical analysis of unsteady behaviour of high efficiency mixed-flow pump

    NASA Astrophysics Data System (ADS)

    Sedlář, Milan; Komárek, Martin; Vyroubal, Michal; Doubrava, Vít; Varchola, Michal; Hlbočan, Peter

    2014-03-01

    This work deals with the experimental and numerical investigation of cavitating and noncavitating flow inside a mixed-flow pump and its influence on performance curves of this pump. The experimental research has been carried out in the closed horizontal loop with the main tank capacity of 35 m3. The loop is equipped with both the compressor and the vacuum pump capable of creating different pressure levels while maintaining constant volume flow rate. Pump investigated in this project has been equipped with transparent windows, which enabled the visualization of flow and cavitation phenomena for a wide range of flow conditions. A comprehensive CFD analysis of tested pump has been done both in the cavitating and noncavitating regimes. The ANSYS CFX commercial CFD package has been used to solve URANS equations together with the Rayleigh-Plesset model and the SST-SAS turbulence model. Both the experimental research and the CFD analysis have provided a good illustration of the flow structures inside the pump and their dynamics for a wide range of flow rates and NPSH values. Flow and cavitation instabilities have been detected at suboptimal flow rates which correspond to increased values of noise and vibrations. The calculated results agree well with the measurements.

  3. A numerical method for DNS/LES of turbulent reacting flows

    SciTech Connect

    Doom, Jeff; Hou, Yucheng; Mahesh, Krishnan

    2007-09-10

    A spatially non-dissipative, implicit numerical method to simulate turbulent reacting flows over a range of Mach numbers, is described. The compressible Navier-Stokes equations are rescaled so that the zero Mach number equations are discretely recovered in the limit of zero Mach number. The dependent variables are co-located in space, and thermodynamic variables are staggered from velocity in time. The algorithm discretely conserves kinetic energy in the incompressible, inviscid, non-reacting limit. The chemical source terms are implicit in time to allow for stiff chemical mechanisms. The algorithm is readily extended to complex chemical mechanisms. Numerical examples using both simple and complex chemical mechanisms are presented.

  4. A gyrokinetic continuum code based on the numerical Lie transform (NLT) method

    NASA Astrophysics Data System (ADS)

    Ye, Lei; Xu, Yingfeng; Xiao, Xiaotao; Dai, Zongliang; Wang, Shaojie

    2016-07-01

    In this work, we report a novel gyrokinetic simulation method named numerical Lie transform (NLT), which depends on a new physical model derived from the I-transform theory. In this model, the perturbed motion of a particle is decoupled from the unperturbed motion. Due to this property, the unperturbed orbit can be computed in advance and saved as numerical tables for real-time computation. A 4D tensor B-spline interpolation module is developed and applied with the semi-Lagrangian scheme to avoid operator splitting. The NLT code is verified by the Rosenbluth-Hinton test and the linear ITG Cyclone test.

  5. Direct numerical simulations of a reacting turbulent mixing layer by a pseudospectral-spectral element method

    NASA Technical Reports Server (NTRS)

    Mcmurtry, Patrick A.; Givi, Peyman

    1992-01-01

    An account is given of the implementation of the spectral-element technique for simulating a chemically reacting, spatially developing turbulent mixing layer. Attention is given to experimental and numerical studies that have investigated the development, evolution, and mixing characteristics of shear flows. A mathematical formulation is presented of the physical configuration of the spatially developing reacting mixing layer, in conjunction with a detailed representation of the spectral-element method's application to the numerical simulation of mixing layers. Results from 2D and 3D calculations of chemically reacting mixing layers are given.

  6. Numerical radiative transfer with state-of-the-art iterative methods made easy

    NASA Astrophysics Data System (ADS)

    Lambert, Julien; Paletou, Frédéric; Josselin, Eric; Glorian, Jean-Michel

    2016-01-01

    This article presents an on-line tool and its accompanying software resources for the numerical solution of basic radiation transfer out of local thermodynamic equilibrium (LTE). State-of-the-art stationary iterative methods such as Accelerated Λ-iteration and Gauss-Seidel schemes, using a short characteristics-based formal solver are used. We also comment on typical numerical experiments associated to the basic non-LTE radiation problem. These resources are intended for the largest use and benefit, in support to more classical radiation transfer lectures usually given at the Master level.

  7. An Efficient Optimization Method for Solving Unsupervised Data Classification Problems.

    PubMed

    Shabanzadeh, Parvaneh; Yusof, Rubiyah

    2015-01-01

    Unsupervised data classification (or clustering) analysis is one of the most useful tools and a descriptive task in data mining that seeks to classify homogeneous groups of objects based on similarity and is used in many medical disciplines and various applications. In general, there is no single algorithm that is suitable for all types of data, conditions, and applications. Each algorithm has its own advantages, limitations, and deficiencies. Hence, research for novel and effective approaches for unsupervised data classification is still active. In this paper a heuristic algorithm, Biogeography-Based Optimization (BBO) algorithm, was adapted for data clustering problems by modifying the main operators of BBO algorithm, which is inspired from the natural biogeography distribution of different species. Similar to other population-based algorithms, BBO algorithm starts with an initial population of candidate solutions to an optimization problem and an objective function that is calculated for them. To evaluate the performance of the proposed algorithm assessment was carried on six medical and real life datasets and was compared with eight well known and recent unsupervised data classification algorithms. Numerical results demonstrate that the proposed evolutionary optimization algorithm is efficient for unsupervised data classification. PMID:26336509

  8. An Efficient Optimization Method for Solving Unsupervised Data Classification Problems

    PubMed Central

    Shabanzadeh, Parvaneh; Yusof, Rubiyah

    2015-01-01

    Unsupervised data classification (or clustering) analysis is one of the most useful tools and a descriptive task in data mining that seeks to classify homogeneous groups of objects based on similarity and is used in many medical disciplines and various applications. In general, there is no single algorithm that is suitable for all types of data, conditions, and applications. Each algorithm has its own advantages, limitations, and deficiencies. Hence, research for novel and effective approaches for unsupervised data classification is still active. In this paper a heuristic algorithm, Biogeography-Based Optimization (BBO) algorithm, was adapted for data clustering problems by modifying the main operators of BBO algorithm, which is inspired from the natural biogeography distribution of different species. Similar to other population-based algorithms, BBO algorithm starts with an initial population of candidate solutions to an optimization problem and an objective function that is calculated for them. To evaluate the performance of the proposed algorithm assessment was carried on six medical and real life datasets and was compared with eight well known and recent unsupervised data classification algorithms. Numerical results demonstrate that the proposed evolutionary optimization algorithm is efficient for unsupervised data classification. PMID:26336509

  9. Memory Efficient PCA Methods for Large Group ICA.

    PubMed

    Rachakonda, Srinivas; Silva, Rogers F; Liu, Jingyu; Calhoun, Vince D

    2016-01-01

    Principal component analysis (PCA) is widely used for data reduction in group independent component analysis (ICA) of fMRI data. Commonly, group-level PCA of temporally concatenated datasets is computed prior to ICA of the group principal components. This work focuses on reducing very high dimensional temporally concatenated datasets into its group PCA space. Existing randomized PCA methods can determine the PCA subspace with minimal memory requirements and, thus, are ideal for solving large PCA problems. Since the number of dataloads is not typically optimized, we extend one of these methods to compute PCA of very large datasets with a minimal number of dataloads. This method is coined multi power iteration (MPOWIT). The key idea behind MPOWIT is to estimate a subspace larger than the desired one, while checking for convergence of only the smaller subset of interest. The number of iterations is reduced considerably (as well as the number of dataloads), accelerating convergence without loss of accuracy. More importantly, in the proposed implementation of MPOWIT, the memory required for successful recovery of the group principal components becomes independent of the number of subjects analyzed. Highly efficient subsampled eigenvalue decomposition techniques are also introduced, furnishing excellent PCA subspace approximations that can be used for intelligent initialization of randomized methods such as MPOWIT. Together, these developments enable efficient estimation of accurate principal components, as we illustrate by solving a 1600-subject group-level PCA of fMRI with standard acquisition parameters, on a regular desktop computer with only 4 GB RAM, in just a few hours. MPOWIT is also highly scalable and could realistically solve group-level PCA of fMRI on thousands of subjects, or more, using standard hardware, limited only by time, not memory. Also, the MPOWIT algorithm is highly parallelizable, which would enable fast, distributed implementations ideal for big

  10. Memory Efficient PCA Methods for Large Group ICA

    PubMed Central

    Rachakonda, Srinivas; Silva, Rogers F.; Liu, Jingyu; Calhoun, Vince D.

    2016-01-01

    Principal component analysis (PCA) is widely used for data reduction in group independent component analysis (ICA) of fMRI data. Commonly, group-level PCA of temporally concatenated datasets is computed prior to ICA of the group principal components. This work focuses on reducing very high dimensional temporally concatenated datasets into its group PCA space. Existing randomized PCA methods can determine the PCA subspace with minimal memory requirements and, thus, are ideal for solving large PCA problems. Since the number of dataloads is not typically optimized, we extend one of these methods to compute PCA of very large datasets with a minimal number of dataloads. This method is coined multi power iteration (MPOWIT). The key idea behind MPOWIT is to estimate a subspace larger than the desired one, while checking for convergence of only the smaller subset of interest. The number of iterations is reduced considerably (as well as the number of dataloads), accelerating convergence without loss of accuracy. More importantly, in the proposed implementation of MPOWIT, the memory required for successful recovery of the group principal components becomes independent of the number of subjects analyzed. Highly efficient subsampled eigenvalue decomposition techniques are also introduced, furnishing excellent PCA subspace approximations that can be used for intelligent initialization of randomized methods such as MPOWIT. Together, these developments enable efficient estimation of accurate principal components, as we illustrate by solving a 1600-subject group-level PCA of fMRI with standard acquisition parameters, on a regular desktop computer with only 4 GB RAM, in just a few hours. MPOWIT is also highly scalable and could realistically solve group-level PCA of fMRI on thousands of subjects, or more, using standard hardware, limited only by time, not memory. Also, the MPOWIT algorithm is highly parallelizable, which would enable fast, distributed implementations ideal for big

  11. Efficiency of the estimate refinement method for polyhedral approximation of multidimensional balls

    NASA Astrophysics Data System (ADS)

    Kamenev, G. K.

    2016-05-01

    The estimate refinement method for the polyhedral approximation of convex compact bodies is analyzed. When applied to convex bodies with a smooth boundary, this method is known to generate polytopes with an optimal order of growth of the number of vertices and facets depending on the approximation error. In previous studies, for the approximation of a multidimensional ball, the convergence rates of the method were estimated in terms of the number of faces of all dimensions and the cardinality of the facial structure (the norm of the f-vector) of the constructed polytope was shown to have an optimal rate of growth. In this paper, the asymptotic convergence rate of the method with respect to faces of all dimensions is compared with the convergence rate of best approximation polytopes. Explicit expressions are obtained for the asymptotic efficiency, including the case of low dimensions. Theoretical estimates are compared with numerical results.

  12. A study of the efficiency of various Navier-Stokes solvers. [finite difference methods

    NASA Technical Reports Server (NTRS)

    Atias, M.; Wolfshtein, M.; Israeli, M.

    1975-01-01

    A comparative study of the efficiency of some finite difference methods for the solution of the Navier-Stokes equations was conducted. The study was restricted to the two-dimensional steady, uniform property vorticity-stream function equations. The comparisons were drawn by recording the CPU time required to obtain a solution as well as the accuracy of this solution using five numerical methods: central differences, first order upwind differences, second order upwind differences, exponential differences, and an ADI solution of the central difference equations. Solutions were obtained for two test cases: a recirculating eddy inside a square cavity with a moving top, and an impinging jet flow. The results show that whenever the central difference method is stable it generates results with a given accuracy for less CPU time than any other method.

  13. Bayer Polymers: Plant Identifies Numerous Projects Following Plant-Wide Energy-Efficient Assessment

    SciTech Connect

    2003-08-01

    The Bayer Corporation undertook a plant-wide energy efficiency assessment of its New Martinsville, West Virginia, plant in 2001. The objectives were to identify energy saving projects in the utilities area. The projects, when complete, will save the company the loss of an estimated 236,000 MMBtu ($1.16 million) annually in energy from burning and leaking fossil fuels. Certain other projects will save the company 6,300,000 kWh ($219,000) of electrical energy each year. All of the projects could be duplicated in other chemical manufacturing facilities and most of the projects could be duplicated in other industries utilizing steam, pumps, and/or compressed air.

  14. A numerical investigation on the efficiency of range extending systems using Advanced Vehicle Simulator

    NASA Astrophysics Data System (ADS)

    Varnhagen, Scott; Same, Adam; Remillard, Jesse; Park, Jae Wan

    2011-03-01

    Series plug-in hybrid electric vehicles of varying engine configuration and battery capacity are modeled using Advanced Vehicle Simulator (ADVISOR). The performance of these vehicles is analyzed on the bases of energy consumption and greenhouse gas emissions on the tank-to-wheel and well-to-wheel paths. Both city and highway driving conditions are considered during the simulation. When simulated on the well-to-wheel path, it is shown that the range extender with a Wankel rotary engine consumes less energy and emits fewer greenhouse gases compared to the other systems with reciprocating engines during many driving cycles. The rotary engine has a higher power-to-weight ratio and lower noise, vibration and harshness compared to conventional reciprocating engines, although performs less efficiently. The benefits of a Wankel engine make it an attractive option for use as a range extender in a plug-in hybrid electric vehicle.

  15. Numerical Simulation of Supercavitating Flows using a Viscous-Potential Method

    NASA Astrophysics Data System (ADS)

    Kim, Ji-Hye; Ahn, Byoung-Kwon

    2015-12-01

    A numerical method was developed to predict the supercavity around axi-symmetric bodies. Employing potential flow, the proposed method computes the cavity shape and drag force, which are the important features of practical concern for supercavitating objects. A method to calculate the frictional drag acting on the wetted body surface was implemented, which is called the viscous-potential method. The results revealed details of the drag curve appearing in the course of an increase in speed and cavity growth. In addition, the supercavity and drag features of the actual shape of the supercavitating torpedo were investigated according to the different depth conditions.

  16. Method and system for efficiently searching an encoded vector index

    DOEpatents

    Bui, Thuan Quang; Egan, Randy Lynn; Kathmann, Kevin James

    2001-09-04

    Method and system aspects for efficiently searching an encoded vector index are provided. The aspects include the translation of a search query into a candidate bitmap, and the mapping of data from the candidate bitmap into a search result bitmap according to entry values in the encoded vector index. Further, the translation includes the setting of a bit in the candidate bitmap for each entry in a symbol table that corresponds to candidate of the search query. Also included in the mapping is the identification of a bit value in the candidate bitmap pointed to by an entry in an encoded vector.

  17. Supersampling method for efficient grid-based electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Ryu, Seongok; Choi, Sunghwan; Hong, Kwangwoo; Kim, Woo Youn

    2016-03-01

    The egg-box effect, the spurious variation of energy and force due to the discretization of continuous space, is an inherent vexing problem in grid-based electronic structure calculations. Its effective suppression allowing for large grid spacing is thus crucial for accurate and efficient computations. We here report that the supersampling method drastically alleviates it by eliminating the rapidly varying part of a target function along both radial and angular directions. In particular, the use of the sinc filtering function performs best because as an ideal low pass filter it clearly cuts out the high frequency region beyond allowed by a given grid spacing.

  18. Efficient molecular surface generation using level-set methods.

    PubMed

    Can, Tolga; Chen, Chao-I; Wang, Yuan-Fang

    2006-12-01

    Molecules interact through their surface residues. Calculation of the molecular surface of a protein structure is thus an important step for a detailed functional analysis. One of the main considerations in comparing existing methods for molecular surface computations is their speed. Most of the methods that produce satisfying results for small molecules fail to do so for large complexes. In this article, we present a level-set-based approach to compute and visualize a molecular surface at a desired resolution. The emerging level-set methods have been used for computing evolving boundaries in several application areas from fluid mechanics to computer vision. Our method provides a uniform framework for computing solvent-accessible, solvent-excluded surfaces and interior cavities. The computation is carried out very efficiently even for very large molecular complexes with tens of thousands of atoms. We compared our method to some of the most widely used molecular visualization tools (Swiss-PDBViewer, PyMol, and Chimera) and our results show that we can calculate and display a molecular surface 1.5-3.14 times faster on average than all three of the compared programs. Furthermore, we demonstrate that our method is able to detect all of the interior inaccessible cavities that can accommodate one or more water molecules. PMID:16621636

  19. A constrained-gradient method to control divergence errors in numerical MHD

    NASA Astrophysics Data System (ADS)

    Hopkins, Philip F.

    2016-10-01

    In numerical magnetohydrodynamics (MHD), a major challenge is maintaining nabla \\cdot {B}=0. Constrained transport (CT) schemes achieve this but have been restricted to specific methods. For more general (meshless, moving-mesh, ALE) methods, `divergence-cleaning' schemes reduce the nabla \\cdot {B} errors; however they can still be significant and can lead to systematic errors which converge away slowly. We propose a new constrained gradient (CG) scheme which augments these with a projection step, and can be applied to any numerical scheme with a reconstruction. This iteratively approximates the least-squares minimizing, globally divergence-free reconstruction of the fluid. Unlike `locally divergence free' methods, this actually minimizes the numerically unstable nabla \\cdot {B} terms, without affecting the convergence order of the method. We implement this in the mesh-free code GIZMO and compare various test problems. Compared to cleaning schemes, our CG method reduces the maximum nabla \\cdot {B} errors by ˜1-3 orders of magnitude (˜2-5 dex below typical errors if no nabla \\cdot {B} cleaning is used). By preventing large nabla \\cdot {B} at discontinuities, this eliminates systematic errors at jumps. Our CG results are comparable to CT methods; for practical purposes, the nabla \\cdot {B} errors are eliminated. The cost is modest, ˜30 per cent of the hydro algorithm, and the CG correction can be implemented in a range of numerical MHD methods. While for many problems, we find Dedner-type cleaning schemes are sufficient for good results, we identify a range of problems where using only Powell or `8-wave' cleaning can produce order-of-magnitude errors.

  20. Nonlinear evolution of cylindrical gravitational waves: Numerical method and physical aspects

    NASA Astrophysics Data System (ADS)

    Celestino, Juliana; de Oliveira, H. P.; Rodrigues, E. L.

    2016-05-01

    General cylindrical waves are the simplest axisymmetrical gravitational waves that contain both + and × modes of polarization. In this paper, we have studied the evolution of general cylindrical gravitational waves in the realm of the characteristic scheme with a numerical code based on the Galerkin-Collocation method. The investigation consists of the numerical realization of concepts such as Bondi mass and the news functions adapted to cylindrical symmetry. The Bondi mass decays due to the presence of the news functions associated with both polarization modes. We have interpreted each polarization mode as channels from which mass is extracted. Under this perspective, we have presented the enhancement effect of the polarization mode + due to the nonlinear interaction with the mode ×. After discussing the role of matter in cylindrical symmetry, we have extended the numerical code to include electromagnetic fields.

  1. A wavelet-optimized, very high order adaptive grid and order numerical method

    NASA Technical Reports Server (NTRS)

    Jameson, Leland

    1996-01-01

    Differencing operators of arbitrarily high order can be constructed by interpolating a polynomial through a set of data followed by differentiation of this polynomial and finally evaluation of the polynomial at the point where a derivative approximation is desired. Furthermore, the interpolating polynomial can be constructed from algebraic, trigonometric, or, perhaps exponential polynomials. This paper begins with a comparison of such differencing operator construction. Next, the issue of proper grids for high order polynomials is addressed. Finally, an adaptive numerical method is introduced which adapts the numerical grid and the order of the differencing operator depending on the data. The numerical grid adaptation is performed on a Chebyshev grid. That is, at each level of refinement the grid is a Chebvshev grid and this grid is refined locally based on wavelet analysis.

  2. Numerical solution of the time dependent neutron transport equation by the method of the characteristics

    SciTech Connect

    Talamo, Alberto

    2013-05-01

    This study presents three numerical algorithms to solve the time dependent neutron transport equation by the method of the characteristics. The algorithms have been developed taking into account delayed neutrons and they have been implemented into the novel MCART code, which solves the neutron transport equation for two-dimensional geometry and an arbitrary number of energy groups. The MCART code uses regular mesh for the representation of the spatial domain, it models up-scattering, and takes advantage of OPENMP and OPENGL algorithms for parallel computing and plotting, respectively. The code has been benchmarked with the multiplication factor results of a Boiling Water Reactor, with the analytical results for a prompt jump transient in an infinite medium, and with PARTISN and TDTORT results for cross section and source transients. The numerical simulations have shown that only two numerical algorithms are stable for small time steps.

  3. On the kinematics and efficiency of advective mixing during gastric digestion - A numerical analysis.

    PubMed

    Ferrua, Maria J; Xue, Zhengjun; Singh, R Paul

    2014-11-28

    The mixing performance of gastric contents during digestion is expected to have a major role on the rate and final bioavailability of nutrients within the body. The aim of this study was to characterize the ability of the human stomach to advect gastric contents with different rheological properties. The flow behavior of two Newtonian fluids (10(-3)Pas, 1Pas) and a pseudoplastic solution (K=0.223Pas(0.59)) during gastric digestion were numerically characterized within a simplified 3D model of the stomach geometry and motility during the process (ANSYS-FLUENT). The advective performances of each of these gastric flows were determined by analyzing the spatial distribution and temporal history of their stretching abilities (Lagrangian analysis). Results illustrate the limited influence that large retropulsive and vortex structures have on the overall dynamics of gastric flows. Even within the distal region, more than 50% of the flow experienced velocity and shear values lower than 10% of their respective maximums. While chaotic, gastric advection was always relatively poor (with Lyapunov exponents an order of magnitude lower than those of a laminar stirred tank). Contrary to expectations, gastric rheology had only a minor role on the advective properties of the flow (particularly within the distal region). As viscosity increased above 1St, the role of fluid viscosity became largely negligible. By characterizing the fluid dynamic and mixing conditions that develop during digestion, this work will inform the design of novel in vitro systems of enhanced biomechanical performance and facilitate a more accurate diagnosis of gastric digestion processes. PMID:25446267

  4. Evaluating marginal likelihood with thermodynamic integration method and comparison with several other numerical methods

    DOE PAGES

    Liu, Peigui; Elshall, Ahmed S.; Ye, Ming; Beerli, Peter; Zeng, Xiankui; Lu, Dan; Tao, Yuezan

    2016-02-05

    Evaluating marginal likelihood is the most critical and computationally expensive task, when conducting Bayesian model averaging to quantify parametric and model uncertainties. The evaluation is commonly done by using Laplace approximations to evaluate semianalytical expressions of the marginal likelihood or by using Monte Carlo (MC) methods to evaluate arithmetic or harmonic mean of a joint likelihood function. This study introduces a new MC method, i.e., thermodynamic integration, which has not been attempted in environmental modeling. Instead of using samples only from prior parameter space (as in arithmetic mean evaluation) or posterior parameter space (as in harmonic mean evaluation), the thermodynamicmore » integration method uses samples generated gradually from the prior to posterior parameter space. This is done through a path sampling that conducts Markov chain Monte Carlo simulation with different power coefficient values applied to the joint likelihood function. The thermodynamic integration method is evaluated using three analytical functions by comparing the method with two variants of the Laplace approximation method and three MC methods, including the nested sampling method that is recently introduced into environmental modeling. The thermodynamic integration method outperforms the other methods in terms of their accuracy, convergence, and consistency. The thermodynamic integration method is also applied to a synthetic case of groundwater modeling with four alternative models. The application shows that model probabilities obtained using the thermodynamic integration method improves predictive performance of Bayesian model averaging. As a result, the thermodynamic integration method is mathematically rigorous, and its MC implementation is computationally general for a wide range of environmental problems.« less

  5. Numerical Simulation of Impacts of Hydrological Properties of Geologic Storage Formations on Injection Efficiency of Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Kihm, J.; Kim, J.

    2010-12-01

    A series of numerical simulations using a multiphase thermo-hydrological numerical model is performed to analyze groundwater flow, carbon dioxide flow, and heat transport due to geologic storage of carbon dioxide in a geologic storage formation (sandstone aquifer) and to evaluate impacts of its saturated (i.e., porosity and intrinsic permeability) and unsaturated (i.e., residual water saturation, residual gas saturation, gas-entry pressure, and van Genuchten’s exponent) hydrological properties on the injection efficiency of carbon dioxide. The numerical simulation results show that the hydrological properties of the storage formation have significant effects on the injection efficiency of carbon dioxide. Under a constant injection pressure of carbon dioxide, the injection rate and injectivity of carbon dioxide increase rapidly during the early period of carbon dioxide injection (about 2 weeks) and then increases monotonously until the end of carbon dioxide injection. The injection rate and injectivity of carbon dioxide are most sensitive to variations in the intrinsic permeability and van Genuchten’s exponent of the storage formation. They increase significantly as the intrinsic permeability and van Genuchten’s exponent of the storage formation increase, whereas they decrease slightly as the porosity and the residual gas saturation of the storage formation increase. However, they are most insensitive to variations in the residual water saturation and the gas-entry pressure of the storage formation. These results indicate that the injection efficiency of carbon dioxide is significantly dependent on the relative permeability, which is a function of the unsaturated hydrological properties (i.e., residual water saturation, residual gas saturation, gas-entry pressure, and van Genuchten’s exponent) of the storage formation, as well as its saturated hydrological properties (i.e., porosity and intrinsic permeability) in different degrees. Therefore it may be

  6. An efficient algorithm for numerical computations of continuous densities of states

    NASA Astrophysics Data System (ADS)

    Langfeld, K.; Lucini, B.; Pellegrini, R.; Rago, A.

    2016-06-01

    In Wang-Landau type algorithms, Monte-Carlo updates are performed with respect to the density of states, which is iteratively refined during simulations. The partition function and thermodynamic observables are then obtained by standard integration. In this work, our recently introduced method in this class (the LLR approach) is analysed and further developed. Our approach is a histogram free method particularly suited for systems with continuous degrees of freedom giving rise to a continuum density of states, as it is commonly found in lattice gauge theories and in some statistical mechanics systems. We show that the method possesses an exponential error suppression that allows us to estimate the density of states over several orders of magnitude with nearly constant relative precision. We explain how ergodicity issues can be avoided and how expectation values of arbitrary observables can be obtained within this framework. We then demonstrate the method using compact U(1) lattice gauge theory as a show case. A thorough study of the algorithm parameter dependence of the results is performed and compared with the analytically expected behaviour. We obtain high precision values for the critical coupling for the phase transition and for the peak value of the specific heat for lattice sizes ranging from 8^4 to 20^4. Our results perfectly agree with the reference values reported in the literature, which covers lattice sizes up to 18^4. Robust results for the 20^4 volume are obtained for the first time. This latter investigation, which, due to strong metastabilities developed at the pseudo-critical coupling of the system, so far has been out of reach even on supercomputers with importance sampling approaches, has been performed to high accuracy with modest computational resources. This shows the potential of the method for studies of first order phase transitions. Other situations where the method is expected to be superior to importance sampling techniques are pointed

  7. On the method of pseudo compressibility for numerically solving incompressible flows

    NASA Technical Reports Server (NTRS)

    Chang, J. L. C.; Kwak, D.

    1984-01-01

    Pseudo compressibility is used for numerically solving incompressible flows to achieve computational efficiency. The use of pseudo compressibility results in a system of hyperbolic-type equations of motion that introduce waves of finite speed. The interactions of the wave propagation and the vorticity spreading are analyzed. A criterion governing the dependence of the pseudo compressiblity on the Reynolds number and the characteristic length of the flow geometry is obtained that allows for a proper convergence. It is demonstrated that the solution does tend to the incompressible limit. External and internal viscous flow test problems are presented to verify the theory.

  8. An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates.

    PubMed

    Sibaev, M; Crittenden, D L

    2016-06-01

    In this paper, we outline a general, scalable, and black-box approach for calculating high-order strongly coupled force fields in rectilinear normal mode coordinates, based upon constructing low order expansions in curvilinear coordinates with naturally limited mode-mode coupling, and then transforming between coordinate sets analytically. The optimal balance between accuracy and efficiency is achieved by transforming from 3 mode representation quartic force fields in curvilinear normal mode coordinates to 4 mode representation sextic force fields in rectilinear normal modes. Using this reduced mode-representation strategy introduces an error of only 1 cm(-1) in fundamental frequencies, on average, across a sizable test set of molecules. We demonstrate that if it is feasible to generate an initial semi-quartic force field in curvilinear normal mode coordinates from ab initio data, then the subsequent coordinate transformation procedure will be relatively fast with modest memory demands. This procedure facilitates solving the nuclear vibrational problem, as all required integrals can be evaluated analytically. Our coordinate transformation code is implemented within the extensible PyPES library program package, at http://sourceforge.net/projects/pypes-lib-ext/. PMID:27276945

  9. An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates.

    PubMed

    Sibaev, M; Crittenden, D L

    2016-06-01

    In this paper, we outline a general, scalable, and black-box approach for calculating high-order strongly coupled force fields in rectilinear normal mode coordinates, based upon constructing low order expansions in curvilinear coordinates with naturally limited mode-mode coupling, and then transforming between coordinate sets analytically. The optimal balance between accuracy and efficiency is achieved by transforming from 3 mode representation quartic force fields in curvilinear normal mode coordinates to 4 mode representation sextic force fields in rectilinear normal modes. Using this reduced mode-representation strategy introduces an error of only 1 cm(-1) in fundamental frequencies, on average, across a sizable test set of molecules. We demonstrate that if it is feasible to generate an initial semi-quartic force field in curvilinear normal mode coordinates from ab initio data, then the subsequent coordinate transformation procedure will be relatively fast with modest memory demands. This procedure facilitates solving the nuclear vibrational problem, as all required integrals can be evaluated analytically. Our coordinate transformation code is implemented within the extensible PyPES library program package, at http://sourceforge.net/projects/pypes-lib-ext/.

  10. Efficient model learning methods for actor-critic control.

    PubMed

    Grondman, Ivo; Vaandrager, Maarten; Buşoniu, Lucian; Babuska, Robert; Schuitema, Erik

    2012-06-01

    We propose two new actor-critic algorithms for reinforcement learning. Both algorithms use local linear regression (LLR) to learn approximations of the functions involved. A crucial feature of the algorithms is that they also learn a process model, and this, in combination with LLR, provides an efficient policy update for faster learning. The first algorithm uses a novel model-based update rule for the actor parameters. The second algorithm does not use an explicit actor but learns a reference model which represents a desired behavior, from which desired control actions can be calculated using the inverse of the learned process model. The two novel methods and a standard actor-critic algorithm are applied to the pendulum swing-up problem, in which the novel methods achieve faster learning than the standard algorithm. PMID:22156998

  11. [An efficient method for isolation of mitochondrial DNA in wheat].

    PubMed

    Li, Wen-Qiang; Zhang, Gai-Sheng; Wang, Kui; Niu, Na; Pan, Dong-Liang

    2007-06-01

    An efficient method for isolation of mitochondrial DNA (mtDNA) from etiolated tissues of wheat was developed. The protocol consists of mitochondria isolation with differential centrifugation, Dnase I treatment, lysis with SDS and proteinase K, removing protein by TE-saturated phenol/chloroform extraction and a final RNase A treatment for obtaining mtDNA. The mtDNA samples were tested using spectrophotometry and agarose gel electrophoresis. It was proved that the mtDNA isolated by this method not only have the high yield but also structural complete, and contains no impurities, such as nuclear DNA, RNA and protein. The result showed that this high quality mtDNA can be successfully used in PCR and other genetic studies. In addition, it was found that adjusting the lysis temperature has a noticeable effect on the mtDNA yield.

  12. Towards a suite of test cases and a pycomodo library to assess and improve numerical methods in ocean models

    NASA Astrophysics Data System (ADS)

    Garnier, Valérie; Honnorat, Marc; Benshila, Rachid; Boutet, Martial; Cambon, Gildas; Chanut, Jérome; Couvelard, Xavier; Debreu, Laurent; Ducousso, Nicolas; Duhaut, Thomas; Dumas, Franck; Flavoni, Simona; Gouillon, Flavien; Lathuilière, Cyril; Le Boyer, Arnaud; Le Sommer, Julien; Lyard, Florent; Marsaleix, Patrick; Marchesiello, Patrick; Soufflet, Yves

    2016-04-01

    bed to continue research in numerical approaches as well as an efficient tool to maintain any oceanic code and assure the users a stamped model in a certain range of hydrodynamical regimes. Thanks to a common netCDF format, this suite is completed with a python library that encompasses all the tools and metrics used to assess the efficiency of the numerical methods. References - Couvelard X., F. Dumas, V. Garnier, A.L. Ponte, C. Talandier, A.M. Treguier (2015). Mixed layer formation and restratification in presence of mesoscale and submesoscale turbulence. Ocean Modelling, Vol 96-2, p 243-253. doi:10.1016/j.ocemod.2015.10.004. - Soufflet Y., P. Marchesiello, F. Lemarié, J. Jouanno, X. Capet, L. Debreu , R. Benshila (2016). On effective resolution in ocean models. Ocean Modelling, in press. doi:10.1016/j.ocemod.2015.12.004

  13. Finite difference method and algebraic polynomial interpolation for numerically solving Poisson's equation over arbitrary domains

    NASA Astrophysics Data System (ADS)

    Fukuchi, Tsugio

    2014-06-01

    The finite difference method (FDM) based on Cartesian coordinate systems can be applied to numerical analyses over any complex domain. A complex domain is usually taken to mean that the geometry of an immersed body in a fluid is complex; here, it means simply an analytical domain of arbitrary configuration. In such an approach, we do not need to treat the outer and inner boundaries differently in numerical calculations; both are treated in the same way. Using a method that adopts algebraic polynomial interpolations in the calculation around near-wall elements, all the calculations over irregular domains reduce to those over regular domains. Discretization of the space differential in the FDM is usually derived using the Taylor series expansion; however, if we use the polynomial interpolation systematically, exceptional advantages are gained in deriving high-order differences. In using the polynomial interpolations, we can numerically solve the Poisson equation freely over any complex domain. Only a particular type of partial differential equation, Poisson's equations, is treated; however, the arguments put forward have wider generality in numerical calculations using the FDM.

  14. Efficient implementation of the three-dimensional reference interaction site model method in the fragment molecular orbital method

    SciTech Connect

    Yoshida, Norio

    2014-06-07

    The three-dimensional reference interaction site model (3D-RISM) method was efficiently implemented in the fragment molecular orbital (FMO) method. The method is referred to as the FMO/3D-RISM method, and allows us to treat electronic structure of the whole of a macromolecule, such as a protein, as well as the solvent distribution around a solute macromolecule. The formalism of the FMO/3D-RISM method, for the computationally available form and variational expressions, are proposed in detail. A major concern leading to the implementation of the method was decreasing the computational costs involved in calculating the electrostatic potential, because the electrostatic potential is calculated on numerous grid points in three-dimensional real space in the 3D-RISM method. In this article, we propose a procedure for decreasing the computational costs involved in calculating the electrostatic potential in the FMO method framework. The strategy involved in this procedure is to evaluate the electrostatic potential and the solvated Fock matrix in different manners, depending on the distance between the solute and the solvent. The electrostatic potential is evaluated directly in the vicinity of the solute molecule by integrating the molecular orbitals of monomer fragments of the solute molecule, whereas the electrostatic potential is described as the sum of multipole interactions when an analog of the fast multipole method is used. The efficiency of our method was demonstrated by applying it to a water trimer system and three biomolecular systems. The FMO/3D-RISM calculation can be performed within a reasonable computational time, retaining the accuracy of some physical properties.

  15. A Class of TVD Type Combined Numerical Scheme for MHD Equations With a Survey About Numerical Methods in Solar Wind Simulations

    NASA Astrophysics Data System (ADS)

    Feng, Xueshang; Wu, S. T.; Wei, Fengsi; Fan, Quanlin

    2003-04-01

    It has been believed that three-dimensional, numerical, magnetohydrodynamic (MHD) modelling must play a crucial role in a seamless forecasting system. This system refers to space weather originating on the sun; propagation of disturbances through the solar wind and interplanetary magnetic field (IMF), and thence, transmission into the magnetosphere, ionosphere, and thermosphere. This role comes as no surprise to numerical modelers that participate in the numerical modelling of atmospheric environments as well as the meteorological conditions at Earth. Space scientists have paid great attention to operational numerical space weather prediction models. To this purpose practical progress has been made in the past years. Here first is reviewed the progress of the numerical methods in solar wind modelling. Then, based on our discussion, a new numerical scheme of total variation diminishing (TVD) type for magnetohydrodynamic equations in spherical coordinates is proposed by taking into account convergence, stability and resolution. This new MHD model is established by solving the fluid equations of MHD system with a modified Lax-Friedrichs scheme and the magnetic induction equations with MacCormack II scheme for the purpose of developing a combined scheme of quick convergence as well as of TVD property. To verify the validation of the scheme, the propagation of one-dimensional MHD fast and slow shock problem is discussed with the numerical results conforming to the existing results obtained by the piece-wise parabolic method (PPM). Finally, some conclusions are made.

  16. An Efficient Method for Far-field Tsunami Forecasting

    NASA Astrophysics Data System (ADS)

    Hossen, M. J.; Cummins, P. R.; Dettmer, J.; Baba, T.

    2015-12-01

    We have developed a hybrid method to forecast far-field tsunamis by combining traditional, least-squares inversion for initial sea surface displacement (LSQ) and time reverse imaging (TRI). This method has the same source representation as LSQ, which involves dividing the source region into a grid of "point" sources. For each of these, a tsunami Green's function (GF) is computed using a basis function for sea surface displacement whose support is concentrated near the grid point. Instead of solving the linear inverse problem for initial sea surface displacement using regularized least-squares, we apply the TRI method to estimate initial sea surface displacement at each source grid point by convolving GFs with time-reversed observed waveforms recorded near the source region. This tsunami-source estimate is then used to forecast tsunami waveforms at greater distance. We apply this method to the 2011 Tohoku, Japan tsunami because of the availability of an extensive set of high-quality tsunami waveform recordings. The results show that the method can predict tsunami waveforms having good agreement with observed waveforms at near-field stations not part of the source estimation, and excellent agreement with far-field waveforms. The spatial distribution of cumulative sea surface displacement agrees well with other models obtained in more sophisticated inversions, but the temporal resolution of this method does not resolve source kinematics. The method has potential for application in tsunami warning systems, as it is computationally efficient and can be applied to estimate the initial source model by applying precomputed Green's functions in order to provide more accurate and realistic tsunami predictions.

  17. A Fourier collocation time domain method for numerically solving Maxwell's equations

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1991-01-01

    A new method for solving Maxwell's equations in the time domain for arbitrary values of permittivity, conductivity, and permeability is presented. Spatial derivatives are found by a Fourier transform method and time integration is performed using a second order, semi-implicit procedure. Electric and magnetic fields are collocated on the same grid points, rather than on interleaved points, as in the Finite Difference Time Domain (FDTD) method. Numerical results are presented for the propagation of a 2-D Transverse Electromagnetic (TEM) mode out of a parallel plate waveguide and into a dielectric and conducting medium.

  18. Simulation of elastic wave propagation in geological media: Intercomparison of three numerical methods

    NASA Astrophysics Data System (ADS)

    Biryukov, V. A.; Miryakha, V. A.; Petrov, I. B.; Khokhlov, N. I.

    2016-06-01

    For wave propagation in heterogeneous media, we compare numerical results produced by grid-characteristic methods on structured rectangular and unstructured triangular meshes and by a discontinuous Galerkin method on unstructured triangular meshes as applied to the linear system of elasticity equations in the context of direct seismic exploration with an anticlinal trap model. It is shown that the resulting synthetic seismograms are in reasonable quantitative agreement. The grid-characteristic method on structured meshes requires more nodes for approximating curved boundaries, but it has a higher computation speed, which makes it preferable for the given class of problems.

  19. A Numerical Method for Obtaining Monoenergetic Neutron Flux Distributions and Transmissions in Multiple-Region Slabs

    NASA Technical Reports Server (NTRS)

    Schneider, Harold

    1959-01-01

    This method is investigated for semi-infinite multiple-slab configurations of arbitrary width, composition, and source distribution. Isotropic scattering in the laboratory system is assumed. Isotropic scattering implies that the fraction of neutrons scattered in the i(sup th) volume element or subregion that will make their next collision in the j(sup th) volume element or subregion is the same for all collisions. These so-called "transfer probabilities" between subregions are calculated and used to obtain successive-collision densities from which the flux and transmission probabilities directly follow. For a thick slab with little or no absorption, a successive-collisions technique proves impractical because an unreasonably large number of collisions must be followed in order to obtain the flux. Here the appropriate integral equation is converted into a set of linear simultaneous algebraic equations that are solved for the average total flux in each subregion. When ordinary diffusion theory applies with satisfactory precision in a portion of the multiple-slab configuration, the problem is solved by ordinary diffusion theory, but the flux is plotted only in the region of validity. The angular distribution of neutrons entering the remaining portion is determined from the known diffusion flux and the remaining region is solved by higher order theory. Several procedures for applying the numerical method are presented and discussed. To illustrate the calculational procedure, a symmetrical slab ia vacuum is worked by the numerical, Monte Carlo, and P(sub 3) spherical harmonics methods. In addition, an unsymmetrical double-slab problem is solved by the numerical and Monte Carlo methods. The numerical approach proved faster and more accurate in these examples. Adaptation of the method to anisotropic scattering in slabs is indicated, although no example is included in this paper.

  20. A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory

    SciTech Connect

    Gao, Kai; Chung, Eric T.; Gibson, Richard L.; Fu, Shubin; Efendiev, Yalchin

    2015-06-05

    The development of reliable methods for upscaling fine scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. We therefore propose a numerical homogenization algorithm based on multiscale finite element methods for simulating elastic wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that is similar to the rotated staggered-grid finite difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity where the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.

  1. A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory

    DOE PAGES

    Gao, Kai; Chung, Eric T.; Gibson, Richard L.; Fu, Shubin; Efendiev, Yalchin

    2015-06-05

    The development of reliable methods for upscaling fine scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. We therefore propose a numerical homogenization algorithm based on multiscale finite element methods for simulating elasticmore » wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that is similar to the rotated staggered-grid finite difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity where the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.« less

  2. Numerical methods for instability mitigation in the modeling of laser wakefield accelerators in a Lorentz-boosted frame

    SciTech Connect

    Vay, J.-L.; Geddes, C.G.R.; Cormier-Michel, E.; Grote, D.P.

    2011-07-01

    Modeling of laser-plasma wakefield accelerators in an optimal frame of reference has been shown to produce orders of magnitude speed-up of calculations from first principles. Obtaining these speedups required mitigation of a high-frequency instability that otherwise limits effectiveness. In this paper, methods are presented which mitigated the observed instability, including an electromagnetic solver with tunable coefficients, its extension to accommodate Perfectly Matched Layers and Friedman's damping algorithms, as well as an efficient large bandwidth digital filter. It is observed that choosing the frame of the wake as the frame of reference allows for higher levels of filtering or damping than is possible in other frames for the same accuracy. Detailed testing also revealed the existence of a singular time step at which the instability level is minimized, independently of numerical dispersion. A combination of the techniques presented in this paper prove to be very efficient at controlling the instability, allowing for efficient direct modeling of 10 GeV class laser plasma accelerator stages. The methods developed in this paper may have broader application, to other Lorentz-boosted simulations and Particle-In-Cell simulations in general.

  3. Numerical study of plasmonic efficiency of gold nanostripes for molecule detection.

    PubMed

    Grosges, Thomas; Barchiesi, Dominique

    2015-01-01

    In plasmonics, the accurate computation of the electromagnetic field enhancement is necessary in determining the amplitude and the spatial extension of the field around nanostructures. Here, the problem of the interaction between an electromagnetic excitation and gold nanostripes is solved. An optimization scheme, including an adaptive remeshing process with error estimator, is used to solve the problem through a finite element method. The variations of the electromagnetic field amplitude and the plasmonic active zones around nanostructures for molecule detection are studied in this paper taking into account the physical and geometrical parameters of the nanostripes. The evolution between the sizes and number of nanostripes is shown.

  4. Numerical Study of Plasmonic Efficiency of Gold Nanostripes for Molecule Detection

    PubMed Central

    2015-01-01

    In plasmonics, the accurate computation of the electromagnetic field enhancement is necessary in determining the amplitude and the spatial extension of the field around nanostructures. Here, the problem of the interaction between an electromagnetic excitation and gold nanostripes is solved. An optimization scheme, including an adaptive remeshing process with error estimator, is used to solve the problem through a finite element method. The variations of the electromagnetic field amplitude and the plasmonic active zones around nanostructures for molecule detection are studied in this paper taking into account the physical and geometrical parameters of the nanostripes. The evolution between the sizes and number of nanostripes is shown. PMID:25734184

  5. Efficient parallel solution of parabolic equations - Implicit methods on the Cedar multicluster

    NASA Technical Reports Server (NTRS)

    Gallopoulos, E.; Saad, Y.

    1990-01-01

    A class of implicit methods for the parallel solution of linear parabolic differential equations based on Pade and Chebyshev rational approximations to the matrix exponential are presented. It is pointed out that this approach incorporates both natural hierarchical parallelism, improved intrinsic efficiency, and fewer timesteps. These advantages lead to an extremely fast family of methods for the solution of certain time-dependent problems. These techniques are illustrated with numerical experiments on the University of Illinois Cedar multicluster architecture. The experiments indicate that implicit methods of very high degree offer great promise for the solution of certain parabolic problems when in computational environment with parallel resources. Hierarchically organized parallel computers, such as the Cedar multicluster, are found to be especially attractive for these schemes.

  6. An easy and efficient method for flexible robots modeling and simulation

    NASA Astrophysics Data System (ADS)

    Celentano, Laura

    2013-10-01

    In this paper a very easy, numerically stable and computationally efficient method is presented, which allows to model and simulate a flexible robot with high precision, also under the hypothesis of large link deformations and of time-varying geometrical and physical parameters of the robot and of the end-effector. This methodology uses the same approach of the rigid robots modeling, after suitably and fictitiously subdividing each link of the robot into sublinks, rigid to the aim of the calculus of the inertia matrix and flexible to the aim of the calculus of the elastic matrix. The static and dynamic precision of the method is proved with interesting theorems. Finally, the method is used to model, control and simulate a crane with three flexible links and a varying length cable carrying a body with a variable mass.

  7. Direct Numerical Simulation of Incompressible Pipe Flow Using a B-Spline Spectral Method

    NASA Technical Reports Server (NTRS)

    Loulou, Patrick; Moser, Robert D.; Mansour, Nagi N.; Cantwell, Brian J.

    1997-01-01

    A numerical method based on b-spline polynomials was developed to study incompressible flows in cylindrical geometries. A b-spline method has the advantages of possessing spectral accuracy and the flexibility of standard finite element methods. Using this method it was possible to ensure regularity of the solution near the origin, i.e. smoothness and boundedness. Because b-splines have compact support, it is also possible to remove b-splines near the center to alleviate the constraint placed on the time step by an overly fine grid. Using the natural periodicity in the azimuthal direction and approximating the streamwise direction as periodic, so-called time evolving flow, greatly reduced the cost and complexity of the computations. A direct numerical simulation of pipe flow was carried out using the method described above at a Reynolds number of 5600 based on diameter and bulk velocity. General knowledge of pipe flow and the availability of experimental measurements make pipe flow the ideal test case with which to validate the numerical method. Results indicated that high flatness levels of the radial component of velocity in the near wall region are physical; regions of high radial velocity were detected and appear to be related to high speed streaks in the boundary layer. Budgets of Reynolds stress transport equations showed close similarity with those of channel flow. However contrary to channel flow, the log layer of pipe flow is not homogeneous for the present Reynolds number. A topological method based on a classification of the invariants of the velocity gradient tensor was used. Plotting iso-surfaces of the discriminant of the invariants proved to be a good method for identifying vortical eddies in the flow field.

  8. The global extrapolation of numerical methods for computing concentration profiles in percutaneous drug absorption.

    PubMed

    Twizell, E H

    1989-01-01

    A family of numerical methods is developed and analyzed for the numerical solution of the parabolic partial differential equation together with the associated initial and boundary conditions, which arise in a mathematical model of the transient stage of percutaneous drug absorption. Two global extrapolation procedures are described, the first in time only, the second in both space and time, for improving the accuracy of the computed concentration profiles. The behaviours of two members of the family of methods, before and after extrapolation, are examined by repeating a number of experiments reported in the literature. Modifications to the algorithms, which are necessary in computing concentration profiles after the ointment is removed at the steady state, are outlined.

  9. A spectral-based numerical method for Kolmogorov equations in Hilbert spaces

    NASA Astrophysics Data System (ADS)

    Delgado-Vences, Francisco; Flandoli, Franco

    2016-08-01

    We propose a numerical solution for the solution of the Fokker-Planck-Kolmogorov (FPK) equations associated with stochastic partial differential equations in Hilbert spaces. The method is based on the spectral decomposition of the Ornstein-Uhlenbeck semigroup associated to the Kolmogorov equation. This allows us to write the solution of the Kolmogorov equation as a deterministic version of the Wiener-Chaos Expansion. By using this expansion we reformulate the Kolmogorov equation as an infinite system of ordinary differential equations, and by truncating it we set a linear finite system of differential equations. The solution of such system allow us to build an approximation to the solution of the Kolmogorov equations. We test the numerical method with the Kolmogorov equations associated with a stochastic diffusion equation, a Fisher-KPP stochastic equation and a stochastic Burgers equation in dimension 1.

  10. Effects of numerical methods on comparisons between experiments and simulations of shock-accelerated mixing.

    SciTech Connect

    Rider, William; Kamm, J. R.; Tomkins, C. D.; Zoldi, C. A.; Prestridge, K. P.; Marr-Lyon, M.; Rightley, P. M.; Benjamin, R. F.

    2002-01-01

    We consider the detailed structures of mixing flows for Richtmyer-Meshkov experiments of Prestridge et al. [PRE 00] and Tomkins et al. [TOM 01] and examine the most recent measurements from the experimental apparatus. Numerical simulations of these experiments are performed with three different versions of high resolution finite volume Godunov methods. We compare experimental data with simulations for configurations of one and two diffuse cylinders of SF{sub 6} in air using integral measures as well as fractal analysis and continuous wavelet transforms. The details of the initial conditions have a significant effect on the computed results, especially in the case of the double cylinder. Additionally, these comparisons reveal sensitive dependence of the computed solution on the numerical method.

  11. One-level prediction-A numerical method for estimating undiscovered metal endowment

    USGS Publications Warehouse

    McCammon, R.B.; Kork, J.O.

    1992-01-01

    One-level prediction has been developed as a numerical method for estimating undiscovered metal endowment within large areas. The method is based on a presumed relationship between a numerical measure of geologic favorability and the spatial distribution of metal endowment. Metal endowment within an unexplored area for which the favorability measure is greater than a favorability threshold level is estimated to be proportional to the area of that unexplored portion. The constant of proportionality is the ratio of the discovered endowment found within a suitably chosen control region, which has been explored, to the area of that explored region. In addition to the estimate of undiscovered endowment, a measure of the error of the estimate is also calculated. One-level prediction has been used to estimate the undiscovered uranium endowment in the San Juan basin, New Mexico, U.S.A. A subroutine to perform the necessary calculations is included. ?? 1992 Oxford University Press.

  12. A numerical method to determine the steady state distribution of passive contaminant in generic ventilation systems.

    PubMed

    Li, Xianting; Shao, Xiaoliang; Ma, Xiaojun; Zhang, Yuanhui; Cai, Hao

    2011-08-15

    Ventilation system with air recirculation is designed to conserve energy, yet at the same time may result in transporting hazardous substance among different rooms in the same building, which is a concern in indoor air quality control. There is a lack of effective methods to predict indoor contaminant distribution primarily because of uncertainty of the contaminant concentration in supply air which in turn due to the mixing ratio of fresh and recirculation air. In this paper, a versatile numerical method to determine the pollutant distribution of ventilation system with recirculation at steady state is proposed based on typical ventilation systems with accessibility of supply air (ASA) and accessibility of contaminant source (ACS). The relationship is established between contaminant concentrations of supply air and return air in a ventilated room or zone. The concentrations of supply air and contaminant distribution in each room can be determined using such parameters as ASA and ACS. The proposed method is validated by both experimental data and numerical simulation result. The computing speed of the proposed method is compared with the iteration method. The comparisons between the proposed method and the lumped parameter model are also conducted. The advantages of the proposed method in terms of accuracy, speed and versatility make it advantageous to be applied in air quality control of complex ventilation systems with recirculation.

  13. Numerical Modeling of Six Historical Transoceanic Tsunami Events Using a Robust Finite Volume Method on GPUs

    NASA Astrophysics Data System (ADS)

    Jalali Farahani, R.; Li, S.; Mohammed, F.; Astill, S.; Williams, C. R.; Lee, R.; Wilson, P. S.; Srinvias, B.

    2014-12-01

    Six transoceanic historical tsunami events including Japan Tohoku tsunami (2011), Chile Maule tsunami (2010), Indian Ocean tsunami (2004), Japan Nankai tsunami (1946), Chile Valdivia tsunami (1960), and Alaska tsunami (1964) have been modeled using a 2D well-balanced shallow water numerical model. The model solves the nonlinear 2D shallow water equations using an upwind finite volume method and is shown in this study to be capable of modeling the tsunami waves and resulting inundations over complex topography and bathymetry. The finite volume method is capable of modeling the wetting and drying of the bed surface at the coastline with no numerical instabilities and the inundation is modeled by allowing the computational cells to dynamically change from dry to wet. The numerical model implements parallel computations on Graphics Processing Units (GPUs), which enables the model to implement detailed modeling of inundation of small-scale coastal regions in a short simulation time. The slip distribution and seismic moment of the six earthquake driven tsunami events are introduced to the model as the initial condition including coastal uplift and subsidence. Both local regions and far-field regions affected by these tsunami waves are numerically studied and the resulting run-up and tsunami inundations are compared with the recorded observation data provided by National Oceanic and Atmospheric Administration (NOAA) including coastal tide gauges and eyewitness observation data. The GPU-based finite volume model indicates accuracy and robustness as well as short simulation time that can be used for transoceanic tsunami waves modeling including real-time numerical modeling of tsunami events and their inland inundations.

  14. A numerical method for the dynamics of non-spherical cavitation bubbles

    NASA Technical Reports Server (NTRS)

    Lucca, G.; Prosperetti, A.

    1982-01-01

    A boundary integral numerical method for the dynamics of nonspherical cavitation bubbles in inviscid incompressible liquids is described. Only surface values of the velocity potential and its first derivatives are involved. The problem of solving the Laplace equation in the entire domain occupied by the liquid is thus avoided. The collapse of a bubble in the vicinity of a solid wall and the collapse of three bubbles with collinear centers are considered.

  15. Tensor numerical methods in quantum chemistry: from Hartree-Fock to excitation energies

    NASA Astrophysics Data System (ADS)

    Khoromskaia, Venera; Khoromskij, Boris N.

    We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and integral operators, led to entirely grid-based tensor-structured 3D Hartree-Fock eigenvalue solver. It benefits from tensor calculation of the core Hamiltonian and two-electron integrals (TEI) in $O(n\\log n)$ complexity using the rank-structured approximation of basis functions, electron densities and convolution integral operators all represented on 3D $n\\times n\\times n $ Cartesian grids. The algorithm for calculating TEI tensor in a form of the Cholesky decomposition is based on multiple factorizations using algebraic 1D ``density fitting`` scheme. The basis functions are not restricted to separable Gaussians, since the analytical integration is substituted by high-precision tensor-structured numerical quadratures. The tensor approaches to post-Hartree-Fock calculations for the MP2 energy correction and for the Bethe-Salpeter excited states, based on using low-rank factorizations and the reduced basis method, were recently introduced. Another direction is related to the recent attempts to develop a tensor-based Hartree-Fock numerical scheme for finite lattice-structured systems, where one of the numerical challenges is the summation of electrostatic potentials of a large number of nuclei. The 3D grid-based tensor method for calculation of a potential sum on a $L\\times L\\times L$ lattice manifests the linear in $L$ computational work, $O(L)$, instead of the usual $O(L^3 \\log L)$ scaling by the Ewald-type approaches.

  16. Numerical study of a matrix-free trust-region SQP method for equality constrained optimization.

    SciTech Connect

    Heinkenschloss, Matthias; Ridzal, Denis; Aguilo, Miguel Antonio

    2011-12-01

    This is a companion publication to the paper 'A Matrix-Free Trust-Region SQP Algorithm for Equality Constrained Optimization' [11]. In [11], we develop and analyze a trust-region sequential quadratic programming (SQP) method that supports the matrix-free (iterative, in-exact) solution of linear systems. In this report, we document the numerical behavior of the algorithm applied to a variety of equality constrained optimization problems, with constraints given by partial differential equations (PDEs).

  17. Numerical modelling of the nonlinear evolutionary equations on the basis of an inverse scattering method

    NASA Astrophysics Data System (ADS)

    Grigorov, Igor V.

    2009-12-01

    In article the algorithm of numerical modelling of the nonlinear equation of Korteweg-de Vrieze which generates nonlinear algorithm of digital processing of signals is considered. For realisation of the specified algorithm it is offered to use a inverse scattering method (ISM). Algorithms of direct and return spectral problems, and also problems of evolution of the spectral data are in detail considered. Results of modelling are resulted.

  18. Tensor numerical methods in quantum chemistry: from Hartree-Fock to excitation energies.

    PubMed

    Khoromskaia, Venera; Khoromskij, Boris N

    2015-12-21

    We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and integral operators, first appeared as an accurate tensor calculus for the 3D Hartree potential using 1D complexity operations, and have evolved to entirely grid-based tensor-structured 3D Hartree-Fock eigenvalue solver. It benefits from tensor calculation of the core Hamiltonian and two-electron integrals (TEI) in O(n log n) complexity using the rank-structured approximation of basis functions, electron densities and convolution integral operators all represented on 3D n × n × n Cartesian grids. The algorithm for calculating TEI tensor in a form of the Cholesky decomposition is based on multiple factorizations using algebraic 1D "density fitting" scheme, which yield an almost irreducible number of product basis functions involved in the 3D convolution integrals, depending on a threshold ε > 0. The basis functions are not restricted to separable Gaussians, since the analytical integration is substituted by high-precision tensor-structured numerical quadratures. The tensor approaches to post-Hartree-Fock calculations for the MP2 energy correction and for the Bethe-Salpeter excitation energies, based on using low-rank factorizations and the reduced basis method, were recently introduced. Another direction is towards the tensor-based Hartree-Fock numerical scheme for finite lattices, where one of the numerical challenges is the summation of electrostatic potentials of a large number of nuclei. The 3D grid-based tensor method for calculation of a potential sum on a L × L × L lattice manifests the linear in L computational work, O(L), instead of the usual O(L(3) log L) scaling by the Ewald-type approaches. PMID:26016539

  19. Vine—A Numerical Code for Simulating Astrophysical Systems Using Particles. I. Description of the Physics and the Numerical Methods

    NASA Astrophysics Data System (ADS)

    Wetzstein, M.; Nelson, Andrew F.; Naab, T.; Burkert, A.

    2009-10-01

    We present a numerical code for simulating the evolution of astrophysical systems using particles to represent the underlying fluid flow. The code is written in Fortran 95 and is designed to be versatile, flexible, and extensible, with modular options that can be selected either at the time the code is compiled or at run time through a text input file. We include a number of general purpose modules describing a variety of physical processes commonly required in the astrophysical community and we expect that the effort required to integrate additional or alternate modules into the code will be small. In its simplest form the code can evolve the dynamical trajectories of a set of particles in two or three dimensions using a module which implements either a Leapfrog or Runge-Kutta-Fehlberg integrator, selected by the user at compile time. The user may choose to allow the integrator to evolve the system using individual time steps for each particle or with a single, global time step for all. Particles may interact gravitationally as N-body particles, and all or any subset may also interact hydrodynamically, using the smoothed particle hydrodynamic (SPH) method by selecting the SPH module. A third particle species can be included with a module to model massive point particles which may accrete nearby SPH or N-body particles. Such particles may be used to model, e.g., stars in a molecular cloud. Free boundary conditions are implemented by default, and a module may be selected to include periodic boundary conditions. We use a binary "Press" tree to organize particles for rapid access in gravity and SPH calculations. Modules implementing an interface with special purpose "GRAPE" hardware may also be selected to accelerate the gravity calculations. If available, forces obtained from the GRAPE coprocessors may be transparently substituted for those obtained from the tree, or both tree and GRAPE may be used as a combination GRAPE/tree code. The code may be run without

  20. VINE-A NUMERICAL CODE FOR SIMULATING ASTROPHYSICAL SYSTEMS USING PARTICLES. I. DESCRIPTION OF THE PHYSICS AND THE NUMERICAL METHODS

    SciTech Connect

    Wetzstein, M.; Nelson, Andrew F.; Naab, T.; Burkert, A.

    2009-10-01

    We present a numerical code for simulating the evolution of astrophysical systems using particles to represent the underlying fluid flow. The code is written in Fortran 95 and is designed to be versatile, flexible, and extensible, with modular options that can be selected either at the time the code is compiled or at run time through a text input file. We include a number of general purpose modules describing a variety of physical processes commonly required in the astrophysical community and we expect that the effort required to integrate additional or alternate modules into the code will be small. In its simplest form the code can evolve the dynamical trajectories of a set of particles in two or three dimensions using a module which implements either a Leapfrog or Runge-Kutta-Fehlberg integrator, selected by the user at compile time. The user may choose to allow the integrator to evolve the system using individual time steps for each particle or with a single, global time step for all. Particles may interact gravitationally as N-body particles, and all or any subset may also interact hydrodynamically, using the smoothed particle hydrodynamic (SPH) method by selecting the SPH module. A third particle species can be included with a module to model massive point particles which may accrete nearby SPH or N-body particles. Such particles may be used to model, e.g., stars in a molecular cloud. Free boundary conditions are implemented by default, and a module may be selected to include periodic boundary conditions. We use a binary 'Press' tree to organize particles for rapid access in gravity and SPH calculations. Modules implementing an interface with special purpose 'GRAPE' hardware may also be selected to accelerate the gravity calculations. If available, forces obtained from the GRAPE coprocessors may be transparently substituted for those obtained from the tree, or both tree and GRAPE may be used as a combination GRAPE/tree code. The code may be run without