Accurate spectral numerical schemes for kinetic equations with energy diffusion
NASA Astrophysics Data System (ADS)
Wilkening, Jon; Cerfon, Antoine J.; Landreman, Matt
2015-08-01
We examine the merits of using a family of polynomials that are orthogonal with respect to a non-classical weight function to discretize the speed variable in continuum kinetic calculations. We consider a model one-dimensional partial differential equation describing energy diffusion in velocity space due to Fokker-Planck collisions. This relatively simple case allows us to compare the results of the projected dynamics with an expensive but highly accurate spectral transform approach. It also allows us to integrate in time exactly, and to focus entirely on the effectiveness of the discretization of the speed variable. We show that for a fixed number of modes or grid points, the non-classical polynomials can be many orders of magnitude more accurate than classical Hermite polynomials or finite-difference solvers for kinetic equations in plasma physics. We provide a detailed analysis of the difference in behavior and accuracy of the two families of polynomials. For the non-classical polynomials, if the initial condition is not smooth at the origin when interpreted as a three-dimensional radial function, the exact solution leaves the polynomial subspace for a time, but returns (up to roundoff accuracy) to the same point evolved to by the projected dynamics in that time. By contrast, using classical polynomials, the exact solution differs significantly from the projected dynamics solution when it returns to the subspace. We also explore the connection between eigenfunctions of the projected evolution operator and (non-normalizable) eigenfunctions of the full evolution operator, as well as the effect of truncating the computational domain.
Orbital Advection by Interpolation: A Fast and Accurate Numerical Scheme for Super-Fast MHD Flows
Johnson, B M; Guan, X; Gammie, F
2008-04-11
In numerical models of thin astrophysical disks that use an Eulerian scheme, gas orbits supersonically through a fixed grid. As a result the timestep is sharply limited by the Courant condition. Also, because the mean flow speed with respect to the grid varies with position, the truncation error varies systematically with position. For hydrodynamic (unmagnetized) disks an algorithm called FARGO has been developed that advects the gas along its mean orbit using a separate interpolation substep. This relaxes the constraint imposed by the Courant condition, which now depends only on the peculiar velocity of the gas, and results in a truncation error that is more nearly independent of position. This paper describes a FARGO-like algorithm suitable for evolving magnetized disks. Our method is second order accurate on a smooth flow and preserves {del} {center_dot} B = 0 to machine precision. The main restriction is that B must be discretized on a staggered mesh. We give a detailed description of an implementation of the code and demonstrate that it produces the expected results on linear and nonlinear problems. We also point out how the scheme might be generalized to make the integration of other supersonic/super-fast flows more efficient. Although our scheme reduces the variation of truncation error with position, it does not eliminate it. We show that the residual position dependence leads to characteristic radial variations in the density over long integrations.
2014-11-01
content (ie: low- pass response) 1) compare damping character of Artificial Dissipation and Filtering 2) formulate filter as an equivalent...Artificial Dissipation scheme - consequence of filter damping for stiff problems 3) insight on achieving “ideal” low- pass response for general...require very high order for low- pass response – overly dissipative for small time-steps • Implicit filters can be efficiently designed for low- pass
High order accurate finite difference schemes based on symmetry preservation
NASA Astrophysics Data System (ADS)
Ozbenli, Ersin; Vedula, Prakash
2016-11-01
A new algorithm for development of high order accurate finite difference schemes for numerical solution of partial differential equations using Lie symmetries is presented. Considering applicable symmetry groups (such as those relevant to space/time translations, Galilean transformation, scaling, rotation and projection) of a partial differential equation, invariant numerical schemes are constructed based on the notions of moving frames and modified equations. Several strategies for construction of invariant numerical schemes with a desired order of accuracy are analyzed. Performance of the proposed algorithm is demonstrated using analysis of one-dimensional partial differential equations, such as linear advection diffusion equations inviscid Burgers equation and viscous Burgers equation, as our test cases. Through numerical simulations based on these examples, the expected improvement in accuracy of invariant numerical schemes (up to fourth order) is demonstrated. Advantages due to implementation and enhanced computational efficiency inherent in our proposed algorithm are presented. Extension of the basic framework to multidimensional partial differential equations is also discussed.
On numerically accurate finite element
NASA Technical Reports Server (NTRS)
Nagtegaal, J. C.; Parks, D. M.; Rice, J. R.
1974-01-01
A general criterion for testing a mesh with topologically similar repeat units is given, and the analysis shows that only a few conventional element types and arrangements are, or can be made suitable for computations in the fully plastic range. Further, a new variational principle, which can easily and simply be incorporated into an existing finite element program, is presented. This allows accurate computations to be made even for element designs that would not normally be suitable. Numerical results are given for three plane strain problems, namely pure bending of a beam, a thick-walled tube under pressure, and a deep double edge cracked tensile specimen. The effects of various element designs and of the new variational procedure are illustrated. Elastic-plastic computation at finite strain are discussed.
On Some Numerical Dissipation Schemes
NASA Technical Reports Server (NTRS)
Swanson, R. C.; Radespiel, R.; Turkel, E.
1998-01-01
Several schemes for introducing an artificial dissipation into a central difference approximation to the Euler and Navier Stokes equations are considered. The focus of the paper is on the convective upwind and split pressure (CUSP) scheme, which is designed to support single interior point discrete shock waves. This scheme is analyzed and compared in detail with scalar dissipation and matrix dissipation (MATD) schemes. Resolution capability is determined by solving subsonic, transonic, and hypersonic flow problems. A finite-volume discretization and a multistage time-stepping scheme with multigrid are used to compute solutions to the flow equations. Numerical solutions are also compared with either theoretical solutions or experimental data. For transonic airfoil flows the best accuracy on coarse meshes for aerodynamic coefficients is obtained with a simple MATD scheme. The coarse-grid accuracy for the original CUSP scheme is improved by modifying the limiter function used with the scheme, giving comparable accuracy to that obtained with the MATD scheme. The modifications reduce the background dissipation and provide control over the regions where the scheme can become first order.
NASA Technical Reports Server (NTRS)
Graves, R. A., Jr.
1975-01-01
The previously obtained second-order-accurate partial implicitization numerical technique used in the solution of fluid dynamic problems was modified with little complication to achieve fourth-order accuracy. The Von Neumann stability analysis demonstrated the unconditional linear stability of the technique. The order of the truncation error was deduced from the Taylor series expansions of the linearized difference equations and was verified by numerical solutions to Burger's equation. For comparison, results were also obtained for Burger's equation using a second-order-accurate partial-implicitization scheme, as well as the fourth-order scheme of Kreiss.
Accurate analysis of planar optical waveguide devices using higher-order FDTD scheme.
Kong, Fanmin; Li, Kang; Liu, Xin
2006-11-27
A higher-order finite-difference time-domain (HO-FDTD) numerical method is proposed for the time-domain analysis of planar optical waveguide devices. The anisotropic perfectly matched layer (APML) absorbing boundary condition for the HO-FDTD scheme is implemented and the numerical dispersion of this scheme is studied. The numerical simulations for the parallel-slab directional coupler are presented and the computing results using this scheme are in highly accordance with analytical solutions. Compared with conventional FDTD method, this scheme can save considerable computational resource without sacrificing solution accuracy and especially could be applied in the accurate analysis of optical devices.
Time-Accurate Numerical Simulations of Synthetic Jet Quiescent Air
NASA Technical Reports Server (NTRS)
Rupesh, K-A. B.; Ravi, B. R.; Mittal, R.; Raju, R.; Gallas, Q.; Cattafesta, L.
2007-01-01
The unsteady evolution of three-dimensional synthetic jet into quiescent air is studied by time-accurate numerical simulations using a second-order accurate mixed explicit-implicit fractional step scheme on Cartesian grids. Both two-dimensional and three-dimensional calculations of synthetic jet are carried out at a Reynolds number (based on average velocity during the discharge phase of the cycle V(sub j), and jet width d) of 750 and Stokes number of 17.02. The results obtained are assessed against PIV and hotwire measurements provided for the NASA LaRC workshop on CFD validation of synthetic jets.
Second-order accurate nonoscillatory schemes for scalar conservation laws
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1989-01-01
Explicit finite difference schemes for the computation of weak solutions of nonlinear scalar conservation laws is presented and analyzed. These schemes are uniformly second-order accurate and nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time.
Study on the numerical schemes for hypersonic flow simulation
NASA Astrophysics Data System (ADS)
Nagdewe, S. P.; Shevare, G. R.; Kim, Heuy-Dong
2009-10-01
Hypersonic flow is full of complex physical and chemical processes, hence its investigation needs careful analysis of existing schemes and choosing a suitable scheme or designing a brand new scheme. The present study deals with two numerical schemes Harten, Lax, and van Leer with Contact (HLLC) and advection upstream splitting method (AUSM) to effectively simulate hypersonic flow fields, and accurately predict shock waves with minimal diffusion. In present computations, hypersonic flows have been modeled as a system of hyperbolic equations with one additional equation for non-equilibrium energy and relaxing source terms. Real gas effects, which appear typically in hypersonic flows, have been simulated through energy relaxation method. HLLC and AUSM methods are modified to incorporate the conservation laws for non-equilibrium energy. Numerical implementation have shown that non-equilibrium energy convect with mass, and hence has no bearing on the basic numerical scheme. The numerical simulation carried out shows good comparison with experimental data available in literature. Both numerical schemes have shown identical results at equilibrium. Present study has demonstrated that real gas effects in hypersonic flows can be modeled through energy relaxation method along with either AUSM or HLLC numerical scheme.
Uniformly high order accurate essentially non-oscillatory schemes 3
NASA Technical Reports Server (NTRS)
Harten, A.; Engquist, B.; Osher, S.; Chakravarthy, S. R.
1986-01-01
In this paper (a third in a series) the construction and the analysis of essentially non-oscillatory shock capturing methods for the approximation of hyperbolic conservation laws are presented. Also presented is a hierarchy of high order accurate schemes which generalizes Godunov's scheme and its second order accurate MUSCL extension to arbitrary order of accuracy. The design involves an essentially non-oscillatory piecewise polynomial reconstruction of the solution from its cell averages, time evolution through an approximate solution of the resulting initial value problem, and averaging of this approximate solution over each cell. The reconstruction algorithm is derived from a new interpolation technique that when applied to piecewise smooth data gives high-order accuracy whenever the function is smooth but avoids a Gibbs phenomenon at discontinuities. Unlike standard finite difference methods this procedure uses an adaptive stencil of grid points and consequently the resulting schemes are highly nonlinear.
Novel discretization schemes for the numerical simulation of membrane dynamics
NASA Astrophysics Data System (ADS)
Kolsti, Kyle F.
Motivated by the demands of simulating flapping wings of Micro Air Vehicles, novel numerical methods were developed and evaluated for the dynamic simulation of membranes. For linear membranes, a mixed-form time-continuous Galerkin method was employed using trilinear space-time elements. Rather than time-marching, the entire space-time domain was discretized and solved simultaneously. Second-order rates of convergence in both space and time were observed in numerical studies. Slight high-frequency noise was filtered during post-processing. For geometrically nonlinear membranes, the model incorporated two new schemes that were independently developed and evaluated. Time marching was performed using quintic Hermite polynomials uniquely determined by end-point jerk constraints. The single-step, implicit scheme was significantly more accurate than the most common Newmark schemes. For a simple harmonic oscillator, the scheme was found to be symplectic, frequency-preserving, and conditionally stable. Time step size was limited by accuracy requirements rather than stability. The spatial discretization scheme employed a staggered grid, grouping of nonlinear terms, and polygon shape functions in a strong-form point collocation formulation. The observed rate of convergence was two for both displacement and strain. Validation against existing experimental data showed the method to be accurate until hyperelastic effects dominate.
Multidimensional numerical scheme for resistive relativistic magnetohydrodynamics
NASA Astrophysics Data System (ADS)
Komissarov, Serguei S.
2007-12-01
The paper describes a new upwind conservative numerical scheme for special relativistic resistive magnetohydrodynamics with scalar resistivity. The magnetic field is kept approximately divergence free and the divergence of the electric field is kept consistent with the electric charge distribution via the method of Generalized Lagrange Multiplier. The hyperbolic fluxes are computed using the Harten-Lax-van Leer (HLL) prescription and the source terms are accounted via the time-splitting technique. The results of test simulations show that the scheme can handle equally well both resistive current sheets and shock waves, and thus can be a useful tool for studying phenomena of relativistic astrophysics that involve both colliding supersonic flows and magnetic reconnection.
NASA Astrophysics Data System (ADS)
Shishkin, G. I.; Shishkina, L. P.
2015-03-01
An initial-boundary value problem is considered for a singularly perturbed parabolic reaction-diffusion equation. For this problem, a technique is developed for constructing higher order accurate difference schemes that converge ɛ-uniformly in the maximum norm (where ɛ is the perturbation parameter multiplying the highest order derivative, ɛ ∈ (0, 1]). A solution decomposition scheme is described in which the grid subproblems for the regular and singular solution components are considered on uniform meshes. The Richardson technique is used to construct a higher order accurate solution decomposition scheme whose solution converges ɛ-uniformly in the maximum norm at a rate of [InlineMediaObject not available: see fulltext.], where N + 1 and N 0 + 1 are the numbers of nodes in uniform meshes in x and t, respectively. Also, a new numerical-analytical Richardson scheme for the solution decomposition method is developed. Relying on the approach proposed, improved difference schemes can be constructed by applying the solution decomposition method and the Richardson extrapolation method when the number of embedded grids is more than two. These schemes converge ɛ-uniformly with an order close to the sixth in x and equal to the third in t.
NASA Technical Reports Server (NTRS)
Yee, H. C.; Kutler, P.
1983-01-01
A one-parameter family of explicit and implicit second-order-accurate, entropy satisfying, total variation diminishing (TVD) schemes was developed by Harten. These TVD schemes were the property of not generating spurious oscillations for one-dimensional nonlinear scalar hyperbolic conservation laws and constant coefficient hyperbolic systems. Application of these methods to one- and two-dimensional fluid flows containing shocks (in Cartesian coordinates) yields highly accurate nonoscillatory numerical solutions. The goal of this work is to expand these methods to the multidimensional Euler equations in generalized coordinate systems. Some numerical results of shock waves impinging on cylindrical bodies are compared with MacCormack's method.
Simple Numerical Schemes for the Korteweg-deVries Equation
C. J. McKinstrie; M. V. Kozlov
2000-12-01
Two numerical schemes, which simulate the propagation of dispersive non-linear waves, are described. The first is a split-step Fourier scheme for the Korteweg-de Vries (KdV) equation. The second is a finite-difference scheme for the modified KdV equation. The stability and accuracy of both schemes are discussed. These simple schemes can be used to study a wide variety of physical processes that involve dispersive nonlinear waves.
Numerical method for boundary layers with blowing - The exponential box scheme
NASA Technical Reports Server (NTRS)
El-Mistikawy, T. M.; Werle, M. J.
1978-01-01
The paper describes a new numerical scheme based on exponential difference operator concepts combined with Keller's (1968) box scheme approach to produce a stable second-order accurate finite-difference scheme for convection-diffusion problems arising in boundary layer flows in the presence of massive injection through a porous surface. The technique is demonstrated by application to the self-similar boundary layer equations with massive blowing at the surface.
A time accurate finite volume high resolution scheme for three dimensional Navier-Stokes equations
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing; Hsu, Andrew T.
1989-01-01
A time accurate, three-dimensional, finite volume, high resolution scheme for solving the compressible full Navier-Stokes equations is presented. The present derivation is based on the upwind split formulas, specifically with the application of Roe's (1981) flux difference splitting. A high-order accurate (up to the third order) upwind interpolation formula for the inviscid terms is derived to account for nonuniform meshes. For the viscous terms, discretizations consistent with the finite volume concept are described. A variant of second-order time accurate method is proposed that utilizes identical procedures in both the predictor and corrector steps. Avoiding the definition of midpoint gives a consistent and easy procedure, in the framework of finite volume discretization, for treating viscous transport terms in the curvilinear coordinates. For the boundary cells, a new treatment is introduced that not only avoids the use of 'ghost cells' and the associated problems, but also satisfies the tangency conditions exactly and allows easy definition of viscous transport terms at the first interface next to the boundary cells. Numerical tests of steady and unsteady high speed flows show that the present scheme gives accurate solutions.
Second-Order-accurate Schemes for Magnetohydrodynamics with Divergence-free Reconstruction
NASA Astrophysics Data System (ADS)
Balsara, Dinshaw S.
2004-03-01
While working on an adaptive mesh refinement (AMR) scheme for divergence-free magnetohydrodynamics (MHD), Balsara discovered a unique strategy for the reconstruction of divergence-free vector fields. Balsara also showed that for one-dimensional variations in flow and field quantities the reconstruction reduces exactly to the total variation diminishing (TVD) reconstruction. In a previous paper by Balsara the innovations were put to use in studying AMR-MHD. While the other consequences of the invention especially as they pertain to numerical scheme design were mentioned, they were not explored in any detail. In this paper we begin such an exploration. We study the problem of divergence-free numerical MHD and show that the work done so far still has four key unresolved issues. We resolve those issues in this paper. It is shown that the magnetic field can be updated in divergence-free fashion with a formulation that is better than the one in Balsara & Spicer. The problem of reconstructing MHD flow variables with spatially second-order accuracy is also studied. Some ideas from weighted essentially non-oscillatory (WENO) reconstruction, as they apply to numerical MHD, are developed. Genuinely multidimensional reconstruction strategies for numerical MHD are also explored. The other goal of this paper is to show that the same well-designed second-order-accurate schemes can be formulated for more complex geometries such as cylindrical and spherical geometry. Being able to do divergence-free reconstruction in those geometries also resolves the problem of doing AMR in those geometries; the appendices contain detailed formulae for the same. The resulting MHD scheme has been implemented in Balsara's RIEMANN framework for parallel, self-adaptive computational astrophysics. The present work also shows that divergence-free reconstruction and the divergence-free time update can be done for numerical MHD on unstructured meshes. As a result, we establish important analogies between
Multi-dimensional high-order numerical schemes for Lagrangian hydrodynamics
Dai, William W; Woodward, Paul R
2009-01-01
An approximate solver for multi-dimensional Riemann problems at grid points of unstructured meshes, and a numerical scheme for multi-dimensional hydrodynamics have been developed in this paper. The solver is simple, and is developed only for the use in numerical schemes for hydrodynamics. The scheme is truely multi-dimensional, is second order accurate in both space and time, and satisfies conservation laws exactly for mass, momentum, and total energy. The scheme has been tested through numerical examples involving strong shocks. It has been shown that the scheme offers the principle advantages of high-order Codunov schemes; robust operation in the presence of very strong shocks and thin shock fronts.
Time accurate application of the MacCormack 2-4 scheme on massively parallel computers
NASA Technical Reports Server (NTRS)
Hudson, Dale A.; Long, Lyle N.
1995-01-01
Many recent computational efforts in turbulence and acoustics research have used higher order numerical algorithms. One popular method has been the explicit MacCormack 2-4 scheme. The MacCormack 2-4 scheme is second order accurate in time and fourth order accurate in space, and is stable for CFL's below 2/3. Current research has shown that the method can give accurate results but does exhibit significant Gibbs phenomena at sharp discontinuities. The impact of adding Jameson type second, third, and fourth order artificial viscosity was examined here. Category 2 problems, the nonlinear traveling wave and the Riemann problem, were computed using a CFL number of 0.25. This research has found that dispersion errors can be significantly reduced or nearly eliminated by using a combination of second and third order terms in the damping. Use of second and fourth order terms reduced the magnitude of dispersion errors but not as effectively as the second and third order combination. The program was coded using Thinking Machine's CM Fortran, a variant of Fortran 90/High Performance Fortran, and was executed on a 2K CM-200. Simple extrapolation boundary conditions were used for both problems.
Highly Accurate Schemes for Wave Propagation Systems: Application in Aeroacoustics
Bartoli, Nathalie; Mazet, Pierre-Alain; Mouysset, Vincent; Rogier, Francois
2010-09-30
The Discontinuous Galerkin (DG) method is considered for computational aeroacoustic. A software has been developed to make it possible to test a large variety of configurations (non-conform grid, variable polynomial order). To deal with instationary phenomena involved by some shear flows, a compromise between time computation and accuracy is deduced from some numerical experiments.
A Second-Order Accurate, Component-Wise TVD Scheme for Nonlinear, Hyperbolic Conservation Laws
NASA Astrophysics Data System (ADS)
Yu, Heng; Liu, Yu-Ping
2001-10-01
In this paper, we present a two-step, component-wise TVD scheme for nonlinear, hyperbolic conservation laws, which is obtained by combining the schemes of Mac Cormack and Warming-Beam. The scheme does not necessitate the characteristic decompositions of the usual TVD schemes. It employs component-wise limiting; hence the programming is much simpler, especially for complicated coupled systems. For Euler systems of conservation laws, we found the scheme is two times faster in computation than the usual TVD schemes based on field-by-field decomposition limiting. A lot of numerical results show primarily the value of the new method.
Can numerical simulations accurately predict hydrodynamic instabilities in liquid films?
NASA Astrophysics Data System (ADS)
Denner, Fabian; Charogiannis, Alexandros; Pradas, Marc; van Wachem, Berend G. M.; Markides, Christos N.; Kalliadasis, Serafim
2014-11-01
Understanding the dynamics of hydrodynamic instabilities in liquid film flows is an active field of research in fluid dynamics and non-linear science in general. Numerical simulations offer a powerful tool to study hydrodynamic instabilities in film flows and can provide deep insights into the underlying physical phenomena. However, the direct comparison of numerical results and experimental results is often hampered by several reasons. For instance, in numerical simulations the interface representation is problematic and the governing equations and boundary conditions may be oversimplified, whereas in experiments it is often difficult to extract accurate information on the fluid and its behavior, e.g. determine the fluid properties when the liquid contains particles for PIV measurements. In this contribution we present the latest results of our on-going, extensive study on hydrodynamic instabilities in liquid film flows, which includes direct numerical simulations, low-dimensional modelling as well as experiments. The major focus is on wave regimes, wave height and wave celerity as a function of Reynolds number and forcing frequency of a falling liquid film. Specific attention is paid to the differences in numerical and experimental results and the reasons for these differences. The authors are grateful to the EPSRC for their financial support (Grant EP/K008595/1).
NASA Technical Reports Server (NTRS)
Harten, A.; Tal-Ezer, H.
1981-01-01
This paper presents a family of two-level five-point implicit schemes for the solution of one-dimensional systems of hyperbolic conservation laws, which generalized the Crank-Nicholson scheme to fourth order accuracy (4-4) in both time and space. These 4-4 schemes are nondissipative and unconditionally stable. Special attention is given to the system of linear equations associated with these 4-4 implicit schemes. The regularity of this system is analyzed and efficiency of solution-algorithms is examined. A two-datum representation of these 4-4 implicit schemes brings about a compactification of the stencil to three mesh points at each time-level. This compact two-datum representation is particularly useful in deriving boundary treatments. Numerical results are presented to illustrate some properties of the proposed scheme.
Numerical experiments with a symmetric high-resolution shock-capturing scheme
NASA Technical Reports Server (NTRS)
Yee, H. C.
1986-01-01
Characteristic-based explicit and implicit total variation diminishing (TVD) schemes for the two-dimensional compressible Euler equations have recently been developed. This is a generalization of recent work of Roe and Davis to a wider class of symmetric (non-upwind) TVD schemes other than Lax-Wendroff. The Roe and Davis schemes can be viewed as a subset of the class of explicit methods. The main properties of the present class of schemes are that they can be implicit, and, when steady-state calculations are sought, the numerical solution is independent of the time step. In a recent paper, a comparison of a linearized form of the present implicit symmetric TVD scheme with an implicit upwind TVD scheme originally developed by Harten and modified by Yee was given. Results favored the symmetric method. It was found that the latter is just as accurate as the upwind method while requiring less computational effort. Currently, more numerical experiments are being conducted on time-accurate calculations and on the effect of grid topology, numerical boundary condition procedures, and different flow conditions on the behavior of the method for steady-state applications. The purpose here is to report experiences with this type of scheme and give guidelines for its use.
NASA Astrophysics Data System (ADS)
Moczo, P.; Kristek, J.; Galis, M.; Pazak, P.
2009-12-01
Numerical prediction of earthquake ground motion in sedimentary basins and valleys often has to account for P-wave to S-wave speed ratios (Vp/Vs) as large as 5 and even larger, mainly in sediments below groundwater level. The ratio can attain values larger than 10 in unconsolidated sediments (e.g. in Ciudad de México). In a process of developing 3D optimally-accurate finite-difference schemes we encountered a serious problem with accuracy in media with large Vp/Vs ratio. This led us to investigate the very fundamental reasons for the inaccuracy. In order to identify the very basic inherent aspects of the numerical schemes responsible for their behavior with varying Vp/Vs ratio, we restricted to the most basic 2nd-order 2D numerical schemes on a uniform grid in a homogeneous medium. Although basic in the specified sense, the schemes comprise the decisive features for accuracy of wide class of numerical schemes. We investigated 6 numerical schemes: finite-difference_displacement_conventional grid (FD_D_CG) finite-element_Lobatto integration (FE_L) finite-element_Gauss integration (FE_G) finite-difference_displacement-stress_partly-staggered grid (FD_DS_PSG) finite-difference_displacement-stress_staggered grid (FD_DS_SG) finite-difference_velocity-stress_staggered grid (FD_VS_SG) We defined and calculated local errors of the schemes in amplitude and polarization. Because different schemes use different time steps, they need different numbers of time levels to calculate solution for a desired time window. Therefore, we normalized errors for a unit time. The normalization allowed for a direct comparison of errors of different schemes. Extensive numerical calculations for wide ranges of values of the Vp/Vs ratio, spatial sampling ratio, stability ratio, and entire range of directions of propagation with respect to the spatial grid led to interesting and surprising findings. Accuracy of FD_D_CG, FE_L and FE_G strongly depends on Vp/Vs ratio. The schemes are not
Suppressing the numerical Cherenkov radiation in the Yee numerical scheme
Nuter, Rachel Tikhonchuk, Vladimir
2016-01-15
The next generation of laser facilities will routinely produce relativistic particle beams from the interaction of intense laser pulses with solids and/or gases. Their modeling with Particle-In-Cell (PIC) codes needs dispersion-free Maxwell solvers in order to properly describe the interaction of electromagnetic waves with relativistic particles. A particular attention is devoted to the suppression of the numerical Cherenkov instability, responsible for the noise generation. It occurs when the electromagnetic wave is artificially slowed down because of the finite mesh size, thus allowing for the high energy particles to propagate with super-luminous velocities. In the present paper, we show how a slight increase of the light velocity in the Maxwell's equations enables to suppress this instability while keeping a good overall precision of calculations.
Determination of Solution Accuracy of Numerical Schemes as Part of Code and Calculation Verification
Blottner, F.G.; Lopez, A.R.
1998-10-01
This investigation is concerned with the accuracy of numerical schemes for solving partial differential equations used in science and engineering simulation codes. Richardson extrapolation methods for steady and unsteady problems with structured meshes are presented as part of the verification procedure to determine code and calculation accuracy. The local truncation error de- termination of a numerical difference scheme is shown to be a significant component of the veri- fication procedure as it determines the consistency of the numerical scheme, the order of the numerical scheme, and the restrictions on the mesh variation with a non-uniform mesh. Genera- tion of a series of co-located, refined meshes with the appropriate variation of mesh cell size is in- vestigated and is another important component of the verification procedure. The importance of mesh refinement studies is shown to be more significant than just a procedure to determine solu- tion accuracy. It is suggested that mesh refinement techniques can be developed to determine con- sistency of numerical schemes and to determine if governing equations are well posed. The present investigation provides further insight into the conditions and procedures required to effec- tively use Richardson extrapolation with mesh refinement studies to achieve confidence that sim- ulation codes are producing accurate numerical solutions.
Numerical study of read scheme in one-selector one-resistor crossbar array
NASA Astrophysics Data System (ADS)
Kim, Sungho; Kim, Hee-Dong; Choi, Sung-Jin
2015-12-01
A comprehensive numerical circuit analysis of read schemes of a one selector-one resistance change memory (1S1R) crossbar array is carried out. Three schemes-the ground, V/2, and V/3 schemes-are compared with each other in terms of sensing margin and power consumption. Without the aid of a complex analytical approach or SPICE-based simulation, a simple numerical iteration method is developed to simulate entire current flows and node voltages within a crossbar array. Understanding such phenomena is essential in successfully evaluating the electrical specifications of selectors for suppressing intrinsic drawbacks of crossbar arrays, such as sneaky current paths and series line resistance problems. This method provides a quantitative tool for the accurate analysis of crossbar arrays and provides guidelines for developing an optimal read scheme, array configuration, and selector device specifications.
The numerical scheme development of a simplified frozen soil model
NASA Astrophysics Data System (ADS)
Li, Qian; Sun, Shufen; Dai, Qiudan
2009-09-01
In almost all frozen soil models used currently, three variables of temperature, ice content and moisture content are used as prognostic variables and the rate term, accounting for the contribution of the phase change between water and ice, is shown explicitly in both the energy and mass balance equations. The models must be solved by a numerical method with an iterative process, and the rate term of the phase change needs to be pre-estimated at the beginning in each iteration step. Since the rate term of the phase change in the energy equation is closely related to the release or absorption of the great amount of fusion heat, a small error in the rate term estimation will introduce greater error in the energy balance, which will amplify the error in the temperature calculation and in turn, cause problems for the numerical solution convergence. In this work, in order to first reduce the trouble, the methodology of the variable transformation is applied to a simplified frozen soil model used currently, which leads to new frozen soil scheme used in this work. In the new scheme, the enthalpy and the total water equivalent are used as predictive variables in the governing equations to replace temperature, volumetric soil moisture and ice content used in many current models. By doing so, the rate terms of the phase change are not shown explicitly in both the mass and energy equations and its pre-estimation is avoided. Secondly, in order to solve this new scheme more functionally, the development of the numerical scheme to the new scheme is described and a numerical algorithm appropriate to the numerical scheme is developed. In order to evaluate the new scheme of the frozen soil model and its relevant algorithm, a series of model evaluations are conducted by comparing numerical results from the new model scheme with three observational data sets. The comparisons show that the results from the model are in good agreement with these data sets in both the change trend of
Numerical Testing of Parameterization Schemes for Solving Parameter Estimation Problems
2008-12-01
1 NUMERICAL TESTING OF PARAMETERIZATION SCHEMES FOR SOLVING PARAMETER ESTIMATION PROBLEMS L. Velázquez*, M. Argáez and C. Quintero The...performance computing (HPC). 1. INTRODUCTION In this paper we present the numerical performance of three parameterization approaches, SVD...wavelets, and the combination of wavelet-SVD for solving automated parameter estimation problems based on the SPSA described in previous reports of this
Sagiyama, Koki; Rudraraju, Shiva; Garikipati, Krishna
2016-09-13
Here, we consider solid state phase transformations that are caused by free energy densities with domains of non-convexity in strain-composition space; we refer to the non-convex domains as mechano-chemical spinodals. The non-convexity with respect to composition and strain causes segregation into phases with different crystal structures. We work on an existing model that couples the classical Cahn-Hilliard model with Toupin’s theory of gradient elasticity at finite strains. Both systems are represented by fourth-order, nonlinear, partial differential equations. The goal of this work is to develop unconditionally stable, second-order accurate time-integration schemes, motivated by the need to carry out large scale computations of dynamically evolving microstructures in three dimensions. We also introduce reduced formulations naturally derived from these proposed schemes for faster computations that are still second-order accurate. Although our method is developed and analyzed here for a specific class of mechano-chemical problems, one can readily apply the same method to develop unconditionally stable, second-order accurate schemes for any problems for which free energy density functions are multivariate polynomials of solution components and component gradients. Apart from an analysis and construction of methods, we present a suite of numerical results that demonstrate the schemes in action.
Sagiyama, Koki; Rudraraju, Shiva; Garikipati, Krishna
2016-09-13
Here, we consider solid state phase transformations that are caused by free energy densities with domains of non-convexity in strain-composition space; we refer to the non-convex domains as mechano-chemical spinodals. The non-convexity with respect to composition and strain causes segregation into phases with different crystal structures. We work on an existing model that couples the classical Cahn-Hilliard model with Toupin’s theory of gradient elasticity at finite strains. Both systems are represented by fourth-order, nonlinear, partial differential equations. The goal of this work is to develop unconditionally stable, second-order accurate time-integration schemes, motivated by the need to carry out large scalemore » computations of dynamically evolving microstructures in three dimensions. We also introduce reduced formulations naturally derived from these proposed schemes for faster computations that are still second-order accurate. Although our method is developed and analyzed here for a specific class of mechano-chemical problems, one can readily apply the same method to develop unconditionally stable, second-order accurate schemes for any problems for which free energy density functions are multivariate polynomials of solution components and component gradients. Apart from an analysis and construction of methods, we present a suite of numerical results that demonstrate the schemes in action.« less
An accurate solution of elastodynamic problems by numerical local Green's functions
NASA Astrophysics Data System (ADS)
Loureiro, F. S.; Silva, J. E. A.; Mansur, W. J.
2015-09-01
Green's function based methodologies for elastodynamics in both time and frequency domains, which can be either numerical or analytical, appear in many branches of physics and engineering. Thus, the development of exact expressions for Green's functions is of great importance. Unfortunately, such expressions are known only for relatively few kinds of geometry, medium and boundary conditions. In this way, due to the difficulty in finding exact Green's functions, specially in the time domain, the present paper presents a solution of the transient elastodynamic equations by a time-stepping technique based on the Explicit Green's Approach method written in terms of the Green's and Step response functions, both being computed numerically by the finite element method. The major feature is the computation of these functions separately by the central difference time integration scheme and locally owing to the principle of causality. More precisely, Green's functions are computed only at t = Δt adopting two time substeps while Step response functions are computed directly without substeps. The proposed time-stepping method shows to be quite accurate with distinct numerical properties not presented in the standard central difference scheme as addressed in the numerical example.
Direct numerical simulation of scalar transport using unstructured finite-volume schemes
NASA Astrophysics Data System (ADS)
Rossi, Riccardo
2009-03-01
An unstructured finite-volume method for direct and large-eddy simulations of scalar transport in complex geometries is presented and investigated. The numerical technique is based on a three-level fully implicit time advancement scheme and central spatial interpolation operators. The scalar variable at cell faces is obtained by a symmetric central interpolation scheme, which is formally first-order accurate, or by further employing a high-order correction term which leads to formal second-order accuracy irrespective of the underlying grid. In this framework, deferred-correction and slope-limiter techniques are introduced in order to avoid numerical instabilities in the resulting algebraic transport equation. The accuracy and robustness of the code are initially evaluated by means of basic numerical experiments where the flow field is assigned a priori. A direct numerical simulation of turbulent scalar transport in a channel flow is finally performed to validate the numerical technique against a numerical dataset established by a spectral method. In spite of the linear character of the scalar transport equation, the computed statistics and spectra of the scalar field are found to be significantly affected by the spectral-properties of interpolation schemes. Although the results show an improved spectral-resolution and greater spatial-accuracy for the high-order operator in the analysis of basic scalar transport problems, the low-order central scheme is found superior for high-fidelity simulations of turbulent scalar transport.
Towards numerically accurate many-body perturbation theory: Short-range correlation effects
Gulans, Andris
2014-10-28
The example of the uniform electron gas is used for showing that the short-range electron correlation is difficult to handle numerically, while it noticeably contributes to the self-energy. Nonetheless, in condensed-matter applications studied with advanced methods, such as the GW and random-phase approximations, it is common to neglect contributions due to high-momentum (large q) transfers. Then, the short-range correlation is poorly described, which leads to inaccurate correlation energies and quasiparticle spectra. To circumvent this problem, an accurate extrapolation scheme is proposed. It is based on an analytical derivation for the uniform electron gas presented in this paper, and it provides an explanation why accurate GW quasiparticle spectra are easy to obtain for some compounds and very difficult for others.
NASA Astrophysics Data System (ADS)
Campforts, Benjamin; Schwanghart, Wolfgang; Govers, Gerard
2017-01-01
Landscape evolution models (LEMs) allow the study of earth surface responses to changing climatic and tectonic forcings. While much effort has been devoted to the development of LEMs that simulate a wide range of processes, the numerical accuracy of these models has received less attention. Most LEMs use first-order accurate numerical methods that suffer from substantial numerical diffusion. Numerical diffusion particularly affects the solution of the advection equation and thus the simulation of retreating landforms such as cliffs and river knickpoints. This has potential consequences for the integrated response of the simulated landscape. Here we test a higher-order flux-limiting finite volume method that is total variation diminishing (TVD-FVM) to solve the partial differential equations of river incision and tectonic displacement. We show that using the TVD-FVM to simulate river incision significantly influences the evolution of simulated landscapes and the spatial and temporal variability of catchment-wide erosion rates. Furthermore, a two-dimensional TVD-FVM accurately simulates the evolution of landscapes affected by lateral tectonic displacement, a process whose simulation was hitherto largely limited to LEMs with flexible spatial discretization. We implement the scheme in TTLEM (TopoToolbox Landscape Evolution Model), a spatially explicit, raster-based LEM for the study of fluvially eroding landscapes in TopoToolbox 2.
A New Time-Space Accurate Scheme for Hyperbolic Problems. 1; Quasi-Explicit Case
NASA Technical Reports Server (NTRS)
Sidilkover, David
1998-01-01
This paper presents a new discretization scheme for hyperbolic systems of conservations laws. It satisfies the TVD property and relies on the new high-resolution mechanism which is compatible with the genuinely multidimensional approach proposed recently. This work can be regarded as a first step towards extending the genuinely multidimensional approach to unsteady problems. Discontinuity capturing capabilities and accuracy of the scheme are verified by a set of numerical tests.
NASA Astrophysics Data System (ADS)
Liu, Jianjun; Zhang, Feimin; Pu, Zhaoxia
2017-04-01
Accurate forecasting of the intensity changes of hurricanes is an important yet challenging problem in numerical weather prediction. The rapid intensification of Hurricane Katrina (2005) before its landfall in the southern US is studied with the Advanced Research version of the WRF (Weather Research and Forecasting) model. The sensitivity of numerical simulations to two popular planetary boundary layer (PBL) schemes, the Mellor-Yamada-Janjic (MYJ) and the Yonsei University (YSU) schemes, is investigated. It is found that, compared with the YSU simulation, the simulation with the MYJ scheme produces better track and intensity evolution, better vortex structure, and more accurate landfall time and location. Large discrepancies (e.g., over 10 hPa in simulated minimum sea level pressure) are found between the two simulations during the rapid intensification period. Further diagnosis indicates that stronger surface fluxes and vertical mixing in the PBL from the simulation with the MYJ scheme lead to enhanced air-sea interaction, which helps generate more realistic simulations of the rapid intensification process. Overall, the results from this study suggest that improved representation of surface fluxes and vertical mixing in the PBL is essential for accurate prediction of hurricane intensity changes.
A Stable Adaptive Numerical Scheme for Hyperbolic Conservation Laws.
1983-05-01
Bradley J. Lucier Mathematics Research Center University of Wisconsin- Madison * 610 Walnut Strest Madison, Wisconsin 53706 *May 1983 (Received April 5... 1983 ) ITO FILE COPY~D Approved for public release D TICTE Ditiuinunlimited JUL 2 0 19N3 Sponsored by E U. S. Army Research office National Science...CENTER A STABLE ADAPTIVE NUMERICAL SCHEME FOR HYPERBOLIC CONSERVATION LAWS * Bradley J. Lucier Technical Summary Report #2517 May 1983 ABSTRACT A new
A fourth order accurate finite difference scheme for the computation of elastic waves
NASA Technical Reports Server (NTRS)
Bayliss, A.; Jordan, K. E.; Lemesurier, B. J.; Turkel, E.
1986-01-01
A finite difference for elastic waves is introduced. The model is based on the first order system of equations for the velocities and stresses. The differencing is fourth order accurate on the spatial derivatives and second order accurate in time. The model is tested on a series of examples including the Lamb problem, scattering from plane interf aces and scattering from a fluid-elastic interface. The scheme is shown to be effective for these problems. The accuracy and stability is insensitive to the Poisson ratio. For the class of problems considered here it is found that the fourth order scheme requires for two-thirds to one-half the resolution of a typical second order scheme to give comparable accuracy.
NASA Technical Reports Server (NTRS)
Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung
2016-01-01
Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.
Numerical dissipation control in high order shock-capturing schemes for LES of low speed flows
NASA Astrophysics Data System (ADS)
Kotov, D. V.; Yee, H. C.; Wray, A. A.; Sjögreen, B.; Kritsuk, A. G.
2016-02-01
The Yee & Sjögreen adaptive numerical dissipation control in high order scheme (High Order Filter Methods for Wide Range of Compressible Flow Speeds, ICOSAHOM 09, 2009) is further improved for DNS and LES of shock-free turbulence and low speed turbulence with shocklets. There are vastly different requirements in the minimization of numerical dissipation for accurate turbulence simulations of different compressible flow types and flow speeds. Traditionally, the method of choice for shock-free turbulence and low speed turbulence are by spectral, high order central or high order compact schemes with high order linear filters. With a proper control of a local flow sensor, appropriate amount of numerical dissipation in high order shock-capturing schemes can have spectral-like accuracy for compressible low speed turbulent flows. The development of the method includes an adaptive flow sensor with automatic selection on the amount of numerical dissipation needed at each flow location for more accurate DNS and LES simulations with less tuning of parameters for flows with a wide range of flow speed regime during the time-accurate evolution, e.g., time varying random forcing. An automatic selection of the different flow sensors catered to the different flow types is constructed. A Mach curve and high-frequency oscillation indicators are used to reduce the tuning of parameters in controlling the amount of shock-capturing numerical dissipation to be employed for shock-free turbulence, low speed turbulence and turbulence with strong shocks. In Kotov et al. (High Order Numerical Methods for LES of Turbulent Flows with Shocks, ICCFD8, Chengdu, Sichuan, China, July 14-18, 2014) the LES of a turbulent flow with a strong shock by the Yee & Sjögreen scheme indicated a good agreement with the filtered DNS data. A work in progress for the application of the adaptive flow sensor for compressible turbulence with time-varying random forcing is forthcoming. The present study examines the
A comparison of two formulations for high-order accurate essentially non-oscillatory schemes
NASA Technical Reports Server (NTRS)
Casper, Jay; Shu, Chi-Wang; Atkins, H. L.
1993-01-01
The finite-volume and finite-difference implementations of high-order accurate essentially non-oscillatory shock-capturing schemes are discussed and compared. Results obtained with fourth-order accurate algorithms based on both formulations are examined for accuracy, sensitivity to grid irregularities, resolution of waves that are oblique to the mesh, and computational efficiency. Some algorithm modifications that may be required for a given application are suggested. Conclusions that pertain to the relative merits of both formulations are drawn, and some circumstances for which each might be useful are noted.
Numerical Schemes for a Model for Nonlinear Dispersive Waves.
1983-11-01
2604 November 1983 ABSTRACT A description is given of a number of numerical schemes to solve an evolution equation Athat arises when modelling the...travel at constant speed and whose shape is independent of time. One of the models, the Korteweg -de Vries equation , has been studied extensively, both...inital-value problem for the Korteweg -de Vries equation y~~~-2u 0(I) ut + ux + Buu x +fYu inO, Department of Mathematics, University of Chicago, Chicago
Higher-Order Compact Schemes for Numerical Simulation of Incompressible Flows
NASA Technical Reports Server (NTRS)
Wilson, Robert V.; Demuren, Ayodeji O.; Carpenter, Mark
1998-01-01
A higher order accurate numerical procedure has been developed for solving incompressible Navier-Stokes equations for 2D or 3D fluid flow problems. It is based on low-storage Runge-Kutta schemes for temporal discretization and fourth and sixth order compact finite-difference schemes for spatial discretization. The particular difficulty of satisfying the divergence-free velocity field required in incompressible fluid flow is resolved by solving a Poisson equation for pressure. It is demonstrated that for consistent global accuracy, it is necessary to employ the same order of accuracy in the discretization of the Poisson equation. Special care is also required to achieve the formal temporal accuracy of the Runge-Kutta schemes. The accuracy of the present procedure is demonstrated by application to several pertinent benchmark problems.
Fast and Accurate Learning When Making Discrete Numerical Estimates
Sanborn, Adam N.; Beierholm, Ulrik R.
2016-01-01
Many everyday estimation tasks have an inherently discrete nature, whether the task is counting objects (e.g., a number of paint buckets) or estimating discretized continuous variables (e.g., the number of paint buckets needed to paint a room). While Bayesian inference is often used for modeling estimates made along continuous scales, discrete numerical estimates have not received as much attention, despite their common everyday occurrence. Using two tasks, a numerosity task and an area estimation task, we invoke Bayesian decision theory to characterize how people learn discrete numerical distributions and make numerical estimates. Across three experiments with novel stimulus distributions we found that participants fell between two common decision functions for converting their uncertain representation into a response: drawing a sample from their posterior distribution and taking the maximum of their posterior distribution. While this was consistent with the decision function found in previous work using continuous estimation tasks, surprisingly the prior distributions learned by participants in our experiments were much more adaptive: When making continuous estimates, participants have required thousands of trials to learn bimodal priors, but in our tasks participants learned discrete bimodal and even discrete quadrimodal priors within a few hundred trials. This makes discrete numerical estimation tasks good testbeds for investigating how people learn and make estimates. PMID:27070155
Adaptive Numerical Dissipation Control in High Order Schemes for Multi-D Non-Ideal MHD
NASA Technical Reports Server (NTRS)
Yee, H. C.; Sjoegreen, B.
2005-01-01
The required type and amount of numerical dissipation/filter to accurately resolve all relevant multiscales of complex MHD unsteady high-speed shock/shear/turbulence/combustion problems are not only physical problem dependent, but also vary from one flow region to another. In addition, proper and efficient control of the divergence of the magnetic field (Div(B)) numerical error for high order shock-capturing methods poses extra requirements for the considered type of CPU intensive computations. The goal is to extend our adaptive numerical dissipation control in high order filter schemes and our new divergence-free methods for ideal MHD to non-ideal MHD that include viscosity and resistivity. The key idea consists of automatic detection of different flow features as distinct sensors to signal the appropriate type and amount of numerical dissipation/filter where needed and leave the rest of the region free from numerical dissipation contamination. These scheme-independent detectors are capable of distinguishing shocks/shears, flame sheets, turbulent fluctuations and spurious high-frequency oscillations. The detection algorithm is based on an artificial compression method (ACM) (for shocks/shears), and redundant multiresolution wavelets (WAV) (for the above types of flow feature). These filters also provide a natural and efficient way for the minimization of Div(B) numerical error.
Accurate numerical simulation of short fiber optical parametric amplifiers.
Marhic, M E; Rieznik, A A; Kalogerakis, G; Braimiotis, C; Fragnito, H L; Kazovsky, L G
2008-03-17
We improve the accuracy of numerical simulations for short fiber optical parametric amplifiers (OPAs). Instead of using the usual coarse-step method, we adopt a model for birefringence and dispersion which uses fine-step variations of the parameters. We also improve the split-step Fourier method by exactly treating the nonlinear ellipse rotation terms. We find that results obtained this way for two-pump OPAs can be significantly different from those obtained by using the usual coarse-step fiber model, and/or neglecting ellipse rotation terms.
NASA Astrophysics Data System (ADS)
Cavalcanti, José Rafael; Dumbser, Michael; Motta-Marques, David da; Fragoso Junior, Carlos Ruberto
2015-12-01
In this article we propose a new conservative high resolution TVD (total variation diminishing) finite volume scheme with time-accurate local time stepping (LTS) on unstructured grids for the solution of scalar transport problems, which are typical in the context of water quality simulations. To keep the presentation of the new method as simple as possible, the algorithm is only derived in two space dimensions and for purely convective transport problems, hence neglecting diffusion and reaction terms. The new numerical method for the solution of the scalar transport is directly coupled to the hydrodynamic model of Casulli and Walters (2000) that provides the dynamics of the free surface and the velocity vector field based on a semi-implicit discretization of the shallow water equations. Wetting and drying is handled rigorously by the nonlinear algorithm proposed by Casulli (2009). The new time-accurate LTS algorithm allows a different time step size for each element of the unstructured grid, based on an element-local Courant-Friedrichs-Lewy (CFL) stability condition. The proposed method does not need any synchronization between different time steps of different elements and is by construction locally and globally conservative. The LTS scheme is based on a piecewise linear polynomial reconstruction in space-time using the MUSCL-Hancock method, to obtain second order of accuracy in both space and time. The new algorithm is first validated on some classical test cases for pure advection problems, for which exact solutions are known. In all cases we obtain a very good level of accuracy, showing also numerical convergence results; we furthermore confirm mass conservation up to machine precision and observe an improved computational efficiency compared to a standard second order TVD scheme for scalar transport with global time stepping (GTS). Then, the new LTS method is applied to some more complex problems, where the new scalar transport scheme has also been coupled to
Numerical Schemes for the Hamilton-Jacobi and Level Set Equations on Triangulated Domains
NASA Technical Reports Server (NTRS)
Barth, Timothy J.; Sethian, James A.
2006-01-01
Borrowing from techniques developed for conservation law equations, we have developed both monotone and higher order accurate numerical schemes which discretize the Hamilton-Jacobi and level set equations on triangulated domains. The use of unstructured meshes containing triangles (2D) and tetrahedra (3D) easily accommodates mesh adaptation to resolve disparate level set feature scales with a minimal number of solution unknowns. The minisymposium talk will discuss these algorithmic developments and present sample calculations using our adaptive triangulation algorithm applied to various moving interface problems such as etching, deposition, and curvature flow.
Multi-Dimensional Asymptotically Stable 4th Order Accurate Schemes for the Diffusion Equation
NASA Technical Reports Server (NTRS)
Abarbanel, Saul; Ditkowski, Adi
1996-01-01
An algorithm is presented which solves the multi-dimensional diffusion equation on co mplex shapes to 4th-order accuracy and is asymptotically stable in time. This bounded-error result is achieved by constructing, on a rectangular grid, a differentiation matrix whose symmetric part is negative definite. The differentiation matrix accounts for the Dirichlet boundary condition by imposing penalty like terms. Numerical examples in 2-D show that the method is effective even where standard schemes, stable by traditional definitions fail.
Development of highly accurate approximate scheme for computing the charge transfer integral
NASA Astrophysics Data System (ADS)
Pershin, Anton; Szalay, Péter G.
2015-08-01
The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the "exact" scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the "exact" calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.
Development of highly accurate approximate scheme for computing the charge transfer integral.
Pershin, Anton; Szalay, Péter G
2015-08-21
The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the "exact" scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the "exact" calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.
Accurate B-spline-based 3-D interpolation scheme for digital volume correlation.
Ren, Maodong; Liang, Jin; Wei, Bin
2016-12-01
An accurate and efficient 3-D interpolation scheme, based on sampling theorem and Fourier transform technique, is proposed to reduce the sub-voxel matching error caused by intensity interpolation bias in digital volume correlation. First, the influence factors of the interpolation bias are investigated theoretically using the transfer function of an interpolation filter (henceforth filter) in the Fourier domain. A law that the positional error of a filter can be expressed as a function of fractional position and wave number is found. Then, considering the above factors, an optimized B-spline-based recursive filter, combining B-spline transforms and least squares optimization method, is designed to virtually eliminate the interpolation bias in the process of sub-voxel matching. Besides, given each volumetric image containing different wave number ranges, a Gaussian weighting function is constructed to emphasize or suppress certain of wave number ranges based on the Fourier spectrum analysis. Finally, a novel software is developed and series of validation experiments were carried out to verify the proposed scheme. Experimental results show that the proposed scheme can reduce the interpolation bias to an acceptable level.
Development of highly accurate approximate scheme for computing the charge transfer integral
Pershin, Anton; Szalay, Péter G.
2015-08-21
The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.
Variationally consistent discretization schemes and numerical algorithms for contact problems
NASA Astrophysics Data System (ADS)
Wohlmuth, Barbara
We consider variationally consistent discretization schemes for mechanical contact problems. Most of the results can also be applied to other variational inequalities, such as those for phase transition problems in porous media, for plasticity or for option pricing applications from finance. The starting point is to weakly incorporate the constraint into the setting and to reformulate the inequality in the displacement in terms of a saddle-point problem. Here, the Lagrange multiplier represents the surface forces, and the constraints are restricted to the boundary of the simulation domain. Having a uniform inf-sup bound, one can then establish optimal low-order a priori convergence rates for the discretization error in the primal and dual variables. In addition to the abstract framework of linear saddle-point theory, complementarity terms have to be taken into account. The resulting inequality system is solved by rewriting it equivalently by means of the non-linear complementarity function as a system of equations. Although it is not differentiable in the classical sense, semi-smooth Newton methods, yielding super-linear convergence rates, can be applied and easily implemented in terms of a primal-dual active set strategy. Quite often the solution of contact problems has a low regularity, and the efficiency of the approach can be improved by using adaptive refinement techniques. Different standard types, such as residual- and equilibrated-based a posteriori error estimators, can be designed based on the interpretation of the dual variable as Neumann boundary condition. For the fully dynamic setting it is of interest to apply energy-preserving time-integration schemes. However, the differential algebraic character of the system can result in high oscillations if standard methods are applied. A possible remedy is to modify the fully discretized system by a local redistribution of the mass. Numerical results in two and three dimensions illustrate the wide range of
Comparative study of numerical schemes of TVD3, UNO3-ACM and optimized compact scheme
NASA Technical Reports Server (NTRS)
Lee, Duck-Joo; Hwang, Chang-Jeon; Ko, Duck-Kon; Kim, Jae-Wook
1995-01-01
Three different schemes are employed to solve the benchmark problem. The first one is a conventional TVD-MUSCL (Monotone Upwind Schemes for Conservation Laws) scheme. The second scheme is a UNO3-ACM (Uniformly Non-Oscillatory Artificial Compression Method) scheme. The third scheme is an optimized compact finite difference scheme modified by us: the 4th order Runge Kutta time stepping, the 4th order pentadiagonal compact spatial discretization with the maximum resolution characteristics. The problems of category 1 are solved by using the second (UNO3-ACM) and third (Optimized Compact) schemes. The problems of category 2 are solved by using the first (TVD3) and second (UNO3-ACM) schemes. The problem of category 5 is solved by using the first (TVD3) scheme. It can be concluded from the present calculations that the Optimized Compact scheme and the UN03-ACM show good resolutions for category 1 and category 2 respectively.
Efficient numerical schemes for viscoplastic avalanches. Part 1: The 1D case
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.
Symmetric fast marching schemes for better numerical isotropy.
Appia, Vikram; Yezzi, Anthony
2013-09-01
Existing fast marching methods solve the Eikonal equation using a continuous (first-order) model to estimate the accumulated cost, but a discontinuous (zero-order) model for the traveling cost at each grid point. As a result the estimate of the accumulated cost (calculated numerically) at a given point will vary based on the direction of the arriving front, introducing an anisotropy into the discrete algorithm even though the continuous partial differential equation (PDE) is itself isotropic. To remove this anisotropy, we propose two very different schemes. In the first model, we utilize a continuous interpolation of the traveling cost, which is not biased by the direction of the propagating front. In the second model, we upsample the traveling cost on a higher resolution grid to overcome the directional bias. We show the significance of removing the directional bias in the computation of the cost in some applications of the fast marching method, demonstrating that both methods make the discrete implementation more isotropic, in accordance with the underlying continuous PDE.
Symmetric Fast Marching Schemes for Better Numerical Isotropy.
Appia, Vikram; Yezzi, Anthony
2013-03-06
Existing Fast Marching methods solve the Eikonal equation using a continuous (first order) model to estimate the accumulated cost, but a discontinuous (zero order) model for the traveling cost at each grid point. As a result the estimate of the accumulated cost (calculated numerically) at a given point will vary based on the direction of the arriving front, introducing an anisotropy into the discrete algorithm even though the continuous PDE is itself isotropic. To remove this anisotropy, we propose two very different schemes. In the first model we utilize a continuous interpolation of the traveling cost, which is not biased by the direction of the propagating front. In the second model we upsample the traveling cost on a higher resolution grid to overcome the directional bias. We show the significance of removing the directional bias in the computation of the cost in some applications of fast marching method, demonstrating that both methods make the discrete implementation more isotropic in accordance with the underlying continuous PDE. We also compare the accuracy and computation time of our proposed methods with the existing state of the art fast marching techniques to demonstrate the superiority of our method.
NASA Technical Reports Server (NTRS)
Yefet, Amir; Petropoulos, Peter G.
1999-01-01
We consider a divergence-free non-dissipative fourth-order explicit staggered finite difference scheme for the hyperbolic Maxwell's equations. Special one-sided difference operators are derived in order to implement the scheme near metal boundaries and dielectric interfaces. Numerical results show the scheme is long-time stable, and is fourth-order convergent over complex domains that include dielectric interfaces and perfectly conducting surfaces. We also examine the scheme's behavior near metal surfaces that are not aligned with the grid axes, and compare its accuracy to that obtained by the Yee scheme.
Numerical Schemes for the Hamilton-Jacobi and Level Set Equations on Triangulated Domains
NASA Technical Reports Server (NTRS)
Barth, Timothy J.; Sethian, James A.
1997-01-01
Borrowing from techniques developed for conservation law equations, numerical schemes which discretize the Hamilton-Jacobi (H-J), level set, and Eikonal equations on triangulated domains are presented. The first scheme is a provably monotone discretization for certain forms of the H-J equations. Unfortunately, the basic scheme lacks proper Lipschitz continuity of the numerical Hamiltonian. By employing a virtual edge flipping technique, Lipschitz continuity of the numerical flux is restored on acute triangulations. Next, schemes are introduced and developed based on the weaker concept of positive coefficient approximations for homogeneous Hamiltonians. These schemes possess a discrete maximum principle on arbitrary triangulations and naturally exhibit proper Lipschitz continuity of the numerical Hamiltonian. Finally, a class of Petrov-Galerkin approximations are considered. These schemes are stabilized via a least-squares bilinear form. The Petrov-Galerkin schemes do not possess a discrete maximum principle but generalize to high order accuracy.
Verification and comparison of four numerical schemes for a 1D viscoelastic blood flow model.
Wang, Xiaofei; Fullana, Jose-Maria; Lagrée, Pierre-Yves
2015-01-01
A reliable and fast numerical scheme is crucial for the 1D simulation of blood flow in compliant vessels. In this paper, a 1D blood flow model is incorporated with a Kelvin-Voigt viscoelastic arterial wall. This leads to a nonlinear hyperbolic-parabolic system, which is then solved with four numerical schemes, namely: MacCormack, Taylor-Galerkin, monotonic upwind scheme for conservation law and local discontinuous Galerkin. The numerical schemes are tested on a single vessel, a simple bifurcation and a network with 55 arteries. The numerical solutions are checked favorably against analytical, semi-analytical solutions or clinical observations. Among the numerical schemes, comparisons are made in four important aspects: accuracy, ability to capture shock-like phenomena, computational speed and implementation complexity. The suitable conditions for the application of each scheme are discussed.
Physically Accurate Soil Freeze-Thaw Processes in a Global Land Surface Scheme
NASA Astrophysics Data System (ADS)
Cuntz, M.; Haverd, V.
2013-12-01
Transfer of energy and moisture in frozen soil, and hence the active layer depth, are strongly influenced by the soil freezing curve which specifies liquid moisture content as a function of temperature. However, the curve is typically not represented in global land surface models, with less physically-based approximations being used instead. In this work, we develop a physically accurate model of soil freeze-thaw processes, suitable for use in a global land surface scheme. We incorporated soil freeze-thaw processes into an existing detailed model for the transfer of heat, liquid water and water vapor in soils, including isotope diagnostics - Soil-Litter-Iso (SLI, Haverd & Cuntz 2010), which has been used successfully for water and carbon balances of the Australian continent (Haverd et al. 2013). A unique feature of SLI is that fluxes of energy and moisture are coupled using a single system of linear equations. The extension to include freeze-thaw processes and snow maintains this elegant coupling, requiring only coefficients in the linear equations to be modified. No impedance factor for hydraulic conductivity is needed because of the formulation by matric flux potential rather than pressure head. Iterations are avoided which results in the same computational speed as without freezing. The extended model is evaluated extensively in stand-alone mode (against theoretical predictions, lab experiments and field data) and as part of the CABLE global land surface scheme. SLI accurately solves the classical Stefan problem of a homogeneous medium undergoing a phase change. The model also accurately reproduces the freezing front, which is observed in laboratory experiments (Hansson et al. 2004). SLI was further tested against observations at a permafrost site in Tibet (Weismüller et al. 2011). It reproduces seasonal thawing and freezing of the active layer to within 3 K of the observed soil temperature and to within 10% of the observed volumetric liquid soil moisture
Physically Accurate Soil Freeze-Thaw Processes in a Global Land Surface Scheme
NASA Astrophysics Data System (ADS)
Cuntz, Matthias; Haverd, Vanessa
2014-05-01
Transfer of energy and moisture in frozen soil, and hence the active layer depth, are strongly influenced by the soil freezing curve which specifies liquid moisture content as a function of temperature. However, the curve is typically not represented in global land surface models, with less physically-based approximations being used instead. In this work, we develop a physically accurate model of soil freeze-thaw processes, suitable for use in a global land surface scheme. We incorporated soil freeze-thaw processes into an existing detailed model for the transfer of heat, liquid water and water vapor in soils, including isotope diagnostics - Soil-Litter-Iso (SLI, Haverd & Cuntz 2010), which has been used successfully for water and carbon balances of the Australian continent (Haverd et al. 2013). A unique feature of SLI is that fluxes of energy and moisture are coupled using a single system of linear equations. The extension to include freeze-thaw processes and snow maintains this elegant coupling, requiring only coefficients in the linear equations to be modified. No impedance factor for hydraulic conductivity is needed because of the formulation by matric flux potential rather than pressure head. Iterations are avoided which results in the same computational speed as without freezing. The extended model is evaluated extensively in stand-alone mode (against theoretical predictions, lab experiments and field data) and as part of the CABLE global land surface scheme. SLI accurately solves the classical Stefan problem of a homogeneous medium undergoing a phase change. The model also accurately reproduces the freezing front, which is observed in laboratory experiments (Hansson et al. 2004). SLI was further tested against observations at a permafrost site in Tibet (Weismüller et al. 2011). It reproduces seasonal thawing and freezing of the active layer to within 3 K of the observed soil temperature and to within 10% of the observed volumetric liquid soil moisture
A Numerical Homogenization Scheme for Glass Particle-Toughened Polymers Under Dynamic Loading
NASA Astrophysics Data System (ADS)
Karamnejad, Amin; Ahmed, Awais; Sluys, Lambertus Johannes
A numerical homogenization scheme is presented to model glass particle-toughened polymer materials under dynamic loading. A constitutive law is developed for the polymer material and validated by comparing the results to experimental test data. A similar constitutive law as that of the polymer material with unknown material parameters is assumed for the glass particle-toughened polymer. A homogenization scheme is used to determine the unknown material parameters from the boundary value problem (BVP) of a representative volume element. Unlike the standard computational homogenization scheme, the proposed numerical homogenization scheme can be used after localization occurs in the material. The proposed multiscale model is then verified against direct numerical simulation.
HARM: A Numerical Scheme for General Relativistic Magnetohydrodynamics
NASA Astrophysics Data System (ADS)
Gammie, Charles, F.; McKinney, Jonathan C.; Tóth, Gábor
2012-09-01
HARM uses a conservative, shock-capturing scheme for evolving the equations of general relativistic magnetohydrodynamics. The fluxes are calculated using the Harten, Lax, & van Leer scheme. A variant of constrained transport, proposed earlier by Tóth, is used to maintain a divergence-free magnetic field. Only the covariant form of the metric in a coordinate basis is required to specify the geometry. On smooth flows HARM converges at second order.
AN ACCURATE AND EFFICIENT ALGORITHM FOR NUMERICAL SIMULATION OF CONDUCTION-TYPE PROBLEMS. (R824801)
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...
Improvements to the RELAP5-3D Nearly-Implicit Numerical Scheme
Richard A. Riemke; Walter L. Weaver; RIchard R. Schultz
2005-05-01
The RELAP5-3D computer program has been improved with regard to its nearly-implicit numerical scheme for twophase flow and single-phase flow. Changes were made to the nearly-implicit numerical scheme finite difference momentum equations as follows: (1) added the velocity flip-flop mass/energy error mitigation logic, (2) added the modified Henry-Fauske choking model, (3) used the new time void fraction in the horizontal stratification force terms and gravity head, and (4) used an implicit form of the artificial viscosity. The code modifications allow the nearly-implicit numerical scheme to be more implicit and lead to enhanced numerical stability.
A benchmark study of numerical schemes for one-dimensional arterial blood flow modelling.
Boileau, Etienne; Nithiarasu, Perumal; Blanco, Pablo J; Müller, Lucas O; Fossan, Fredrik Eikeland; Hellevik, Leif Rune; Donders, Wouter P; Huberts, Wouter; Willemet, Marie; Alastruey, Jordi
2015-10-01
Haemodynamical simulations using one-dimensional (1D) computational models exhibit many of the features of the systemic circulation under normal and diseased conditions. Recent interest in verifying 1D numerical schemes has led to the development of alternative experimental setups and the use of three-dimensional numerical models to acquire data not easily measured in vivo. In most studies to date, only one particular 1D scheme is tested. In this paper, we present a systematic comparison of six commonly used numerical schemes for 1D blood flow modelling: discontinuous Galerkin, locally conservative Galerkin, Galerkin least-squares finite element method, finite volume method, finite difference MacCormack method and a simplified trapezium rule method. Comparisons are made in a series of six benchmark test cases with an increasing degree of complexity. The accuracy of the numerical schemes is assessed by comparison with theoretical results, three-dimensional numerical data in compatible domains with distensible walls or experimental data in a network of silicone tubes. Results show a good agreement among all numerical schemes and their ability to capture the main features of pressure, flow and area waveforms in large arteries. All the information used in this study, including the input data for all benchmark cases, experimental data where available and numerical solutions for each scheme, is made publicly available online, providing a comprehensive reference data set to support the development of 1D models and numerical schemes.
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.
NASA Astrophysics Data System (ADS)
Stecca, Guglielmo; Siviglia, Annunziato; Blom, Astrid
2016-07-01
We present an accurate numerical approximation to the Saint-Venant-Hirano model for mixed-sediment morphodynamics in one space dimension. Our solution procedure originates from the fully-unsteady matrix-vector formulation developed in [54]. The principal part of the problem is solved by an explicit Finite Volume upwind method of the path-conservative type, by which all the variables are updated simultaneously in a coupled fashion. The solution to the principal part is embedded into a splitting procedure for the treatment of frictional source terms. The numerical scheme is extended to second-order accuracy and includes a bookkeeping procedure for handling the evolution of size stratification in the substrate. We develop a concept of balancedness for the vertical mass flux between the substrate and active layer under bed degradation, which prevents the occurrence of non-physical oscillations in the grainsize distribution of the substrate. We suitably modify the numerical scheme to respect this principle. We finally verify the accuracy in our solution to the equations, and its ability to reproduce one-dimensional morphodynamics due to streamwise and vertical sorting, using three test cases. In detail, (i) we empirically assess the balancedness of vertical mass fluxes under degradation; (ii) we study the convergence to the analytical linearised solution for the propagation of infinitesimal-amplitude waves [54], which is here employed for the first time to assess a mixed-sediment model; (iii) we reproduce Ribberink's E8-E9 flume experiment [46].
Wodrich, Matthew D; Corminboeuf, Clémence; Wheeler, Steven E
2012-04-05
Detailed knowledge of hydrocarbon radical thermochemistry is critical for understanding diverse chemical phenomena, ranging from combustion processes to organic reaction mechanisms. Unfortunately, experimental thermochemical data for many radical species tend to have large errors or are lacking entirely. Here we develop procedures for deriving high-quality thermochemical data for hydrocarbon radicals by extending Wheeler et al.'s "generalized bond separation reaction" (GBSR) scheme (J. Am. Chem. Soc., 2009, 131, 2547). Moreover, we show that the existing definition of hyperhomodesmotic reactions is flawed. This is because transformation reactions, in which one molecule each from the predefined sets of products and reactants can be converted to a different product and reactant molecule, are currently allowed. This problem is corrected via a refined definition of hyperhomodesmotic reactions in which there are equal numbers of carbon-carbon bond types inclusive of carbon hybridization and number of hydrogens attached. Ab initio and density functional theory (DFT) computations using the expanded GBSRs are applied to a newly derived test set of 27 hydrocarbon radicals (HCR27). Greatly reduced errors in computed reaction enthalpies are seen for hyperhomodesmotic and other highly balanced reactions classes, which benefit from increased matching of hybridization and bonding requirements. The best performing DFT methods for hyperhomodesmotic reactions, M06-2X and B97-dDsC, give average deviations from benchmark computations of only 0.31 and 0.44 (±0.90 and ±1.56 at the 95% confidence level) kcal/mol, respectively, over the test set. By exploiting the high degree of error cancellation provided by hyperhomodesmotic reactions, accurate thermochemical data for hydrocarbon radicals (e.g., enthalpies of formation) can be computed using relatively inexpensive computational methods.
NASA Technical Reports Server (NTRS)
Jameson, Antony
1994-01-01
The effect of artificial diffusion on discrete shock structures is examined for a family of schemes which includes scalar diffusion, convective upwind and split pressure (CUSP) schemes, and upwind schemes with characteristics splitting. The analysis leads to conditions on the diffusive flux such that stationary discrete shocks can contain a single interior point. The simplest formulation which meets these conditions is a CUSP scheme in which the coefficients of the pressure differences is fully determined by the coefficient of convective diffusion. It is also shown how both the characteristic and CUSP schemes can be modified to preserve constant stagnation enthalpy in steady flow, leading to four variants, the E and H-characteristic schemes, and the E and H-CUSP schemes. Numerical results are presented which confirm the properties of these schemes.
The numerical viscosity of entropy stable schemes for systems of conservation laws. I
NASA Technical Reports Server (NTRS)
Tadmor, Eitan
1987-01-01
Discrete approximations to hyperbolic systems of conservation laws are studied. The amount of numerical viscosity present in such schemes is quantified and related to their entropy stability by means of comparison.To this end, conservative schemes which are also entropy-conservative are constructed. These entropy-conservative schemes enjoy second-order accuracy; moreover, they can be interpreted as piecewise-linear finite-element methods, and hence can be formulated on various mesh configurations. It is then shown that conservative schemes are entropy stable, if and (for three-point schemes) only they contain more viscosity than that present in the above-mentioned entropy-conservative ones.
On some numerical scheme of solving diffraction problem on open and closed screens
Ryzhakov, Gleb V.
2015-03-10
In the paper, the problem of diffraction on thin ideally conductive screens is reduced to vector hypersingular integral equation with integral treated in the sense of finite Hadamard value. An numerical scheme to solve the equation is introduced. The scheme is based on piecewise approximation of unknown function. The advantage of the scheme is that integral of singular part is reduced to contour integral which can be analytically calculated so numerical calculation are significantly accelerated. Several examples of resulting numerical experiments are given in comparison with known theoretical and experimental data.
Positivity-preserving numerical schemes for multidimensional advection
NASA Technical Reports Server (NTRS)
Leonard, B. P.; Macvean, M. K.; Lock, A. P.
1993-01-01
This report describes the construction of an explicit, single time-step, conservative, finite-volume method for multidimensional advective flow, based on a uniformly third-order polynomial interpolation algorithm (UTOPIA). Particular attention is paid to the problem of flow-to-grid angle-dependent, anisotropic distortion typical of one-dimensional schemes used component-wise. The third-order multidimensional scheme automatically includes certain cross-difference terms that guarantee good isotropy (and stability). However, above first-order, polynomial-based advection schemes do not preserve positivity (the multidimensional analogue of monotonicity). For this reason, a multidimensional generalization of the first author's universal flux-limiter is sought. This is a very challenging problem. A simple flux-limiter can be found; but this introduces strong anisotropic distortion. A more sophisticated technique, limiting part of the flux and then restoring the isotropy-maintaining cross-terms afterwards, gives more satisfactory results. Test cases are confined to two dimensions; three-dimensional extensions are briefly discussed.
Shu, Chi-Wang
2013-01-13
In this article, we give a brief overview on high-order accurate shock capturing schemes with the aim of applications in compressible turbulence simulations. The emphasis is on the basic methodology and recent algorithm developments for two classes of high-order methods: the weighted essentially non-oscillatory and discontinuous Galerkin methods.
Towards an unconditionally stable numerical scheme for continuum dislocation transport
NASA Astrophysics Data System (ADS)
Hernández, H.; Massart, T. J.; Peerlings, R. H. J.; Geers, M. G. D.
2015-12-01
Recent developments in plasticity modeling for crystalline materials are based on dislocations transport models, formulated for computational efficiency in terms of their densities. This leads to sets of coupled partial differential equations in a continuum description involving diffusion and convection-like processes combined with non-linearity. The properties of these equations cause the most traditional numerical methods to fail when applied to solve them. Therefore, dedicated stabilization techniques must be developed in order to obtain physically meaningful and numerically stable approximations. The objective of this paper is to present a dedicated stabilization technique and to apply it to a system of dislocation transport equations in one dimension. This stabilization technique, based on coefficient perturbations, successfully provides unconditional stability with respect to the spatial discretization. Several of its favorable characteristics are discussed, providing evidence of its versatility and effectiveness through a thorough numerical assessment.
Adaptive Numerical Dissipative Control in High Order Schemes for Multi-D Non-Ideal MHD
NASA Technical Reports Server (NTRS)
Yee, H. C.; Sjoegreen, B.
2004-01-01
The goal is to extend our adaptive numerical dissipation control in high order filter schemes and our new divergence-free methods for ideal MHD to non-ideal MHD that include viscosity and resistivity. The key idea consists of automatic detection of different flow features as distinct sensors to signal the appropriate type and amount of numerical dissipation/filter where needed and leave the rest of the region free of numerical dissipation contamination. These scheme-independent detectors are capable of distinguishing shocks/shears, flame sheets, turbulent fluctuations and spurious high-frequency oscillations. The detection algorithm is based on an artificial compression method (ACM) (for shocks/shears), and redundant multi-resolution wavelets (WAV) (for the above types of flow feature). These filter approaches also provide a natural and efficient way for the minimization of Div(B) numerical error. The filter scheme consists of spatially sixth order or higher non-dissipative spatial difference operators as the base scheme for the inviscid flux derivatives. If necessary, a small amount of high order linear dissipation is used to remove spurious high frequency oscillations. For example, an eighth-order centered linear dissipation (AD8) might be included in conjunction with a spatially sixth-order base scheme. The inviscid difference operator is applied twice for the viscous flux derivatives. After the completion of a full time step of the base scheme step, the solution is adaptively filtered by the product of a 'flow detector' and the 'nonlinear dissipative portion' of a high-resolution shock-capturing scheme. In addition, the scheme independent wavelet flow detector can be used in conjunction with spatially compact, spectral or spectral element type of base schemes. The ACM and wavelet filter schemes using the dissipative portion of a second-order shock-capturing scheme with sixth-order spatial central base scheme for both the inviscid and viscous MHD flux
TLC scheme for numerical solution of the transport equation on equilateral triangular meshes
Walters, W.F.
1983-01-01
A new triangular linear characteristic TLC scheme for numerically solving the transport equation on equilateral triangular meshes has been developed. This scheme uses the analytic solution of the transport equation in the triangle as its basis. The data on edges of the triangle are assumed linear as is the source representation. A characteristic approach or nodal approach is used to obtain the analytic solution. Test problems indicate that the new TLC is superior to the widely used DITRI scheme for accuracy.
Finite-difference scheme for the numerical solution of the Schroedinger equation
NASA Technical Reports Server (NTRS)
Mickens, Ronald E.; Ramadhani, Issa
1992-01-01
A finite-difference scheme for numerical integration of the Schroedinger equation is constructed. Asymptotically (r goes to infinity), the method gives the exact solution correct to terms of order r exp -2.
Numerical experiments on the accuracy of ENO and modified ENO schemes
NASA Technical Reports Server (NTRS)
Shu, Chi-Wang
1990-01-01
Further numerical experiments are made assessing an accuracy degeneracy phenomena. A modified essentially non-oscillatory (ENO) scheme is proposed, which recovers the correct order of accuracy for all the test problems with smooth initial conditions and gives comparable results with the original ENO schemes for discontinuous problems.
A Continuing Search for a Near-Perfect Numerical Flux Scheme. Part 1; [AUSM+
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing
1994-01-01
While enjoying demonstrated improvement in accuracy, efficiency, and robustness over existing schemes, the Advection Upstream Splitting Scheme (AUSM) was found to have some deficiencies in extreme cases. This recent progress towards improving the AUSM while retaining its advantageous features is described. The new scheme, termed AUSM+, features: unification of velocity and Mach number splitting; exact capture of a single stationary shock; and improvement in accuracy. A general construction of the AUSM+ scheme is layed out and then focus is on the analysis of the a scheme and its mathematical properties, heretofore unreported. Monotonicity and positivity are proved, and a CFL-like condition is given for first and second order schemes and for generalized curvilinear co-ordinates. Finally, results of numerical tests on many problems are given to confirm the capability and improvements on a variety of problems including those failed by prominent schemes.
High resolution schemes for hyperbolic conservation laws
NASA Technical Reports Server (NTRS)
Harten, A.
1983-01-01
A class of new explicit second order accurate finite difference schemes for the computation of weak solutions of hyperbolic conservation laws is presented. These highly nonlinear schemes are obtained by applying a nonoscillatory first order accurate scheme to an appropriately modified flux function. The so-derived second order accurate schemes achieve high resolution while preserving the robustness of the original nonoscillatory first order accurate scheme. Numerical experiments are presented to demonstrate the performance of these new schemes.
NASA Astrophysics Data System (ADS)
Dutta, Sourav; Daripa, Prabir
2015-11-01
Surfactant-polymer flooding is a widely used method of chemical enhanced oil recovery (EOR) in which an array of complex fluids containing suitable and varying amounts of surfactant or polymer or both mixed with water is injected into the reservoir. This is an example of multiphase, multicomponent and multiphysics porous media flow which is characterized by the spontaneous formation of complex viscous fingering patterns and is modeled by a system of strongly coupled nonlinear partial differential equations with appropriate initial and boundary conditions. Here we propose and discuss a modern, hybrid method based on a combination of a discontinuous, multiscale finite element formulation and the method of characteristics to accurately solve the system. Several types of flooding schemes and rheological properties of the injected fluids are used to numerically study the effectiveness of various injection policies in minimizing the viscous fingering and maximizing oil recovery. Numerical simulations are also performed to investigate the effect of various other physical and model parameters such as heterogeneity, relative permeability and residual saturation on the quantities of interest like cumulative oil recovery, sweep efficiency, fingering intensity to name a few. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).
The numerical viscosity of entropy stable schemes for systems of conservation laws
NASA Technical Reports Server (NTRS)
Tadmor, E.
1985-01-01
Discrete approximations to hyperbolic systems of conservation laws are studied. The amount of numerical viscosity present in such schemes, is quantified and related to their entropy stability by means of comparison. To this end, conservative schemes which are also entropy conservative are constructed. These entropy conservative schemes enjoy second-order accuracy; moreover, they admit a particular interpretation within the finite-element frameworks, and hence can be formulated on various mesh configurations. It is then shown that conservative schemes are entropy stable if and only if they contain more viscosity than the mentioned above entropy conservative ones.
NASA Technical Reports Server (NTRS)
Harten, A.; Tal-Ezer, H.
1981-01-01
An implicit finite difference method of fourth order accuracy in space and time is introduced for the numerical solution of one-dimensional systems of hyperbolic conservation laws. The basic form of the method is a two-level scheme which is unconditionally stable and nondissipative. The scheme uses only three mesh points at level t and three mesh points at level t + delta t. The dissipative version of the basic method given is conditionally stable under the CFL (Courant-Friedrichs-Lewy) condition. This version is particularly useful for the numerical solution of problems with strong but nonstiff dynamic features, where the CFL restriction is reasonable on accuracy grounds. Numerical results are provided to illustrate properties of the proposed method.
Prediction of unsteady loads on maneuvering delta wings using time-accurate Euler schemes
NASA Technical Reports Server (NTRS)
Kandil, Osama A.; Chuang, H. Andrew
1988-01-01
Three-dimensional steady and unsteady vortex-dominated flows around sharp-edged delta wings are considered in this paper. The problem is formulated by using the unsteady conservative Euler equations for the flow relative motion with respect to a moving frame of reference. An implicit approximately-factored finite volume scheme is used to solve the resulting equations on a three-dimensional computational grid which is generated by using a modified Joukowski transformation in cross-flow planes at the grid chord stations. The scheme is applied to a delta wing undergoing pitching oscillation around a large angle of attack. The initial conditions correspond to a steady flow around a delta wing of aspect ratio of one, freestream Mach number of 0.3 and mean angle of attack of 20.5. The steady flow results are compared with those of an explicit computational scheme and the experimental data, and they are in good agreement.
Erwin, Andrew; Sup, Frank C
2015-01-01
In this paper, a novel haptic feedback scheme, used for accurately positioning a 1DOF virtual wrist prosthesis through sensory substitution, is presented. The scheme employs a three-node tactor array and discretely and selectively modulates the stimulation frequency of each tactor to relay 11 discrete haptic stimuli to the user. Able-bodied participants were able to move the virtual wrist prosthesis via a surface electromyography based controller. The participants evaluated the feedback scheme without visual or audio feedback and relied solely on the haptic feedback alone to correctly position the hand. The scheme was evaluated through both normal (perpendicular) and shear (lateral) stimulations applied on the forearm. Normal stimulations were applied through a prototype device previously developed by the authors while shear stimulations were generated using an ubiquitous coin motor vibrotactor. Trials with no feedback served as a baseline to compare results within the study and to the literature. The results indicated that using normal and shear stimulations resulted in accurately positioning the virtual wrist, but were not significantly different. Using haptic feedback was substantially better than no feedback. The results found in this study are significant since the feedback scheme allows for using relatively few tactors to relay rich haptic information to the user and can be learned easily despite a relatively short amount of training. Additionally, the results are important for the haptic community since they contradict the common conception in the literature that normal stimulation is inferior to shear. From an ergonomic perspective normal stimulation has the potential to benefit upper limb amputees since it can operate at lower frequencies than shear-based vibrotactors while also generating less noise. Through further tuning of the novel haptic feedback scheme and normal stimulation device, a compact and comfortable sensory substitution device for upper
Numerical Compression Schemes for Proteomics Mass Spectrometry Data*
Teleman, Johan; Dowsey, Andrew W.; Gonzalez-Galarza, Faviel F.; Perkins, Simon; Pratt, Brian; Röst, Hannes L.; Malmström, Lars; Malmström, Johan; Jones, Andrew R.; Deutsch, Eric W.; Levander, Fredrik
2014-01-01
The open XML format mzML, used for representation of MS data, is pivotal for the development of platform-independent MS analysis software. Although conversion from vendor formats to mzML must take place on a platform on which the vendor libraries are available (i.e. Windows), once mzML files have been generated, they can be used on any platform. However, the mzML format has turned out to be less efficient than vendor formats. In many cases, the naïve mzML representation is fourfold or even up to 18-fold larger compared with the original vendor file. In disk I/O limited setups, a larger data file also leads to longer processing times, which is a problem given the data production rates of modern mass spectrometers. In an attempt to reduce this problem, we here present a family of numerical compression algorithms called MS-Numpress, intended for efficient compression of MS data. To facilitate ease of adoption, the algorithms target the binary data in the mzML standard, and support in main proteomics tools is already available. Using a test set of 10 representative MS data files we demonstrate typical file size decreases of 90% when combined with traditional compression, as well as read time decreases of up to 50%. It is envisaged that these improvements will be beneficial for data handling within the MS community. PMID:24677029
NASA Astrophysics Data System (ADS)
Reis, C.; Clain, S.; Figueiredo, J.; Baptista, M. A.; Miranda, J. M. A.
2015-12-01
Numerical tools turn to be very important for scenario evaluations of hazardous phenomena such as tsunami. Nevertheless, the predictions highly depends on the numerical tool quality and the design of efficient numerical schemes still receives important attention to provide robust and accurate solutions. In this study we propose a comparative study between the efficiency of two volume finite numerical codes with second-order discretization implemented with different method to solve the non-conservative shallow water equations, the MUSCL (Monotonic Upstream-Centered Scheme for Conservation Laws) and the MOOD methods (Multi-dimensional Optimal Order Detection) which optimize the accuracy of the approximation in function of the solution local smoothness. The MUSCL is based on a priori criteria where the limiting procedure is performed before updated the solution to the next time-step leading to non-necessary accuracy reduction. On the contrary, the new MOOD technique uses a posteriori detectors to prevent the solution from oscillating in the vicinity of the discontinuities. Indeed, a candidate solution is computed and corrections are performed only for the cells where non-physical oscillations are detected. Using a simple one-dimensional analytical benchmark, 'Single wave on a sloping beach', we show that the classical 1D shallow-water system can be accurately solved with the finite volume method equipped with the MOOD technique and provide better approximation with sharper shock and less numerical diffusion. For the code validation, we also use the Tohoku-Oki 2011 tsunami and reproduce two DART records, demonstrating that the quality of the solution may deeply interfere with the scenario one can assess. This work is funded by the Portugal-France research agreement, through the research project GEONUM FCT-ANR/MAT-NAN/0122/2012.Numerical tools turn to be very important for scenario evaluations of hazardous phenomena such as tsunami. Nevertheless, the predictions highly
NASA Astrophysics Data System (ADS)
Mukkavilli, S. K.; Kay, M. J.; Taylor, R.; Prasad, A. A.; Troccoli, A.
2014-12-01
The Australian Solar Energy Forecasting System (ASEFS) project requires forecasting timeframes which range from nowcasting to long-term forecasts (minutes to two years). As concentrating solar power (CSP) plant operators are one of the key stakeholders in the national energy market, research and development enhancements for direct normal irradiance (DNI) forecasts is a major subtask. This project involves comparing different radiative scheme codes to improve day ahead DNI forecasts on the national supercomputing infrastructure running mesoscale simulations on NOAA's Weather Research & Forecast (WRF) model. ASEFS also requires aerosol data fusion for improving accurate representation of spatio-temporally variable atmospheric aerosols to reduce DNI bias error in clear sky conditions over southern Queensland & New South Wales where solar power is vulnerable to uncertainities from frequent aerosol radiative events such as bush fires and desert dust. Initial results from thirteen years of Bureau of Meteorology's (BOM) deseasonalised DNI and MODIS NASA-Terra aerosol optical depth (AOD) anomalies demonstrated strong negative correlations in north and southeast Australia along with strong variability in AOD (~0.03-0.05). Radiative transfer schemes, DNI and AOD anomaly correlations will be discussed for the population and transmission grid centric regions where current and planned CSP plants dispatch electricity to capture peak prices in the market. Aerosol and solar irradiance datasets include satellite and ground based assimilations from the national BOM, regional aerosol researchers and agencies. The presentation will provide an overview of this ASEFS project task on WRF and results to date. The overall goal of this ASEFS subtask is to develop a hybrid numerical weather prediction (NWP) and statistical/machine learning multi-model ensemble strategy that meets future operational requirements of CSP plant operators.
Quantification of numerical diffusivity due to TVD schemes in the advection equation
NASA Astrophysics Data System (ADS)
Bidadi, Shreyas; Rani, Sarma L.
2014-03-01
In this study, the numerical diffusivity νnum inherent to the Roe-MUSCL scheme has been quantified for the scalar advection equation. The Roe-MUSCL scheme employed is a combination of: (1) the standard extension of the original Roe's formulation to the advection equation, and (2) van Leer's Monotone Upwind Scheme for Conservation Laws (MUSCL) technique that applies a linear variable reconstruction in a cell along with a scaled limiter function. An explicit expression is derived for the numerical diffusivity in terms of the limiter function, the distance between the cell centers on either side of a face, and the face-normal velocity. The numerical diffusivity formulation shows that a scaled limiter function is more appropriate for MUSCL in order to consistently recover the central-differenced flux at the maximum value of the limiter. The significance of the scaling factor is revealed when the Roe-MUSCL scheme, originally developed for 1-D scenarios, is applied to 2-D scalar advection problems. It is seen that without the scaling factor, the MUSCL scheme may not necessarily be monotonic in multi-dimensional scenarios. Numerical diffusivities of the minmod, superbee, van Leer and Barth-Jesperson TVD limiters were quantified for four problems: 1-D advection of a step function profile, and 2-D advection of step, sinusoidal, and double-step profiles. For all the cases, it is shown that the superbee scheme provides the lowest numerical diffusivity that is also most confined to the vicinity of the discontinuity. The minmod scheme is the most diffusive, as well as active in regions away from high gradients. As expected, the grid resolution study demonstrates that the magnitude and the spatial extent of the numerical diffusivity decrease with increasing resolution.
An efficient numerical scheme for spreading resistance calculations based on the variational method
NASA Astrophysics Data System (ADS)
Choo, S. C.; Leong, M. S.; Sim, J. H.
1983-08-01
This paper presents a simple and efficient numerical scheme for evaluating the correction factor integrals that arise in the variational method. The scheme is a modification of one recently proposed by Berkowitz and Lux for the uniform flux method. The abscissae and the weights required for the integration are given in a form which allows the numerical scheme to be readily implemented. Using this scheme, it takes, on an average, 0.8 sec to compute one value of correction factor on an Apple II Microcomputer. For a slab of varying thickness, backed by either a perfectly conducting or a high resistivity substrate, the correction factors obtained agree with those derived from the exact constant-potential method to within 1%.
NASA Technical Reports Server (NTRS)
VanZante, Dale E.; Strazisar, Anthony J.; Wood, Jerry R,; Hathaway, Michael D.; Okiishi, Theodore H.
2000-01-01
The tip clearance flows of transonic compressor rotors are important because they have a significant impact on rotor and stage performance. While numerical simulations of these flows are quite sophisticated. they are seldom verified through rigorous comparisons of numerical and measured data because these kinds of measurements are rare in the detail necessary to be useful in high-speed machines. In this paper we compare measured tip clearance flow details (e.g. trajectory and radial extent) with corresponding data obtained from a numerical simulation. Recommendations for achieving accurate numerical simulation of tip clearance flows are presented based on this comparison. Laser Doppler Velocimeter (LDV) measurements acquired in a transonic compressor rotor, NASA Rotor 35, are used. The tip clearance flow field of this transonic rotor was simulated using a Navier-Stokes turbomachinery solver that incorporates an advanced k-epsilon turbulence model derived for flows that are not in local equilibrium. Comparison between measured and simulated results indicates that simulation accuracy is primarily dependent upon the ability of the numerical code to resolve important details of a wall-bounded shear layer formed by the relative motion between the over-tip leakage flow and the shroud wall. A simple method is presented for determining the strength of this shear layer.
Fernández, Miguel A; Zemzemi, Nejib
2010-07-01
This work considers the approximation of the cardiac bidomain equations, either isolated or coupled with the torso, via first order semi-implicit time-marching schemes involving a fully decoupled computation of the unknown fields (ionic state, transmembrane potential, extracellular and torso potentials). For the isolated bidomain system, we show that the Gauss-Seidel and Jacobi like splittings do not compromise energy stability; they simply alter the energy norm. Within the framework of the numerical simulation of electrocardiograms (ECG), these bidomain splittings are combined with an explicit Robin-Robin treatment of the heart-torso coupling conditions. We show that the resulting schemes allow a fully decoupled (energy) stable computation of the heart and torso fields, under an additional hyperbolic-CFL like condition. The accuracy and convergence rate of the considered schemes are investigated numerically with a series of numerical experiments.
Seth A Veitzer
2008-10-21
Effects of stray electrons are a main factor limiting performance of many accelerators. Because heavy-ion fusion (HIF) accelerators will operate in regimes of higher current and with walls much closer to the beam than accelerators operating today, stray electrons might have a large, detrimental effect on the performance of an HIF accelerator. A primary source of stray electrons is electrons generated when halo ions strike the beam pipe walls. There is some research on these types of secondary electrons for the HIF community to draw upon, but this work is missing one crucial ingredient: the effect of grazing incidence. The overall goal of this project was to develop the numerical tools necessary to accurately model the effect of grazing incidence on the behavior of halo ions in a HIF accelerator, and further, to provide accurate models of heavy ion stopping powers with applications to ICF, WDM, and HEDP experiments.
Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.
2014-01-28
Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.
NASA Astrophysics Data System (ADS)
Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.
2014-01-01
Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.
Efficient and accurate numerical methods for the Klein-Gordon-Schroedinger equations
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.
Caro, Miguel A; Laurila, Tomi; Lopez-Acevedo, Olga
2016-12-28
We explore different schemes for improved accuracy of entropy calculations in aqueous liquid mixtures from molecular dynamics (MD) simulations. We build upon the two-phase thermodynamic (2PT) model of Lin et al. [J. Chem. Phys. 119, 11792 (2003)] and explore new ways to obtain the partition between the gas-like and solid-like parts of the density of states, as well as the effect of the chosen ideal "combinatorial" entropy of mixing, both of which have a large impact on the results. We also propose a first-order correction to the issue of kinetic energy transfer between degrees of freedom (DoF). This problem arises when the effective temperatures of translational, rotational, and vibrational DoF are not equal, either due to poor equilibration or reduced system size/time sampling, which are typical problems for ab initio MD. The new scheme enables improved convergence of the results with respect to configurational sampling, by up to one order of magnitude, for short MD runs. To ensure a meaningful assessment, we perform MD simulations of liquid mixtures of water with several other molecules of varying sizes: methanol, acetonitrile, N, N-dimethylformamide, and n-butanol. Our analysis shows that results in excellent agreement with experiment can be obtained with little computational effort for some systems. However, the ability of the 2PT method to succeed in these calculations is strongly influenced by the choice of force field, the fluidicity (hard-sphere) formalism employed to obtain the solid/gas partition, and the assumed combinatorial entropy of mixing. We tested two popular force fields, GAFF and OPLS with SPC/E water. For the mixtures studied, the GAFF force field seems to perform as a slightly better "all-around" force field when compared to OPLS+SPC/E.
Numerical solution of multiparameter spectral problems by high order finite different schemes
NASA Astrophysics Data System (ADS)
Amodio, Pierluigi; Settanni, Giuseppina
2016-10-01
We report on the progress achieved in the numerical simulation of self-adjoint multiparameter spectral problems for ordinary differential equations. We describe how to obtain a discrete problem by means of High Order Finite Difference Schemes and discuss its numerical solution. Based on this approach, we also define a recursive algorithm to compute approximations of the parameters by means of the solution of a set of problems converging to the original one.
An Accurate Direction Finding Scheme Using Virtual Antenna Array via Smartphones
Wang, Xiaopu; Xiong, Yan; Huang, Wenchao
2016-01-01
With the development of localization technologies, researchers solve the indoor localization problems using diverse methods and equipment. Most localization techniques require either specialized devices or fingerprints, which are inconvenient for daily use. Therefore, we propose and implement an accurate, efficient and lightweight system for indoor direction finding using common smartphones and loudspeakers. Our method is derived from a key insight: By moving a smartphone in regular patterns, we can effectively emulate the sensitivity and functionality of a Uniform Antenna Array to estimate the angle of arrival of the target signal. Specifically, a user only needs to hold his smartphone still in front of him, and then rotate his body around 360∘ duration with the smartphone at an approximate constant velocity. Then, our system can provide accurate directional guidance and lead the user to their destinations (normal loudspeakers we preset in the indoor environment transmitting high frequency acoustic signals) after a few measurements. Major challenges in implementing our system are not only imitating a virtual antenna array by ordinary smartphones but also overcoming the detection difficulties caused by the complex indoor environment. In addition, we leverage the gyroscope of the smartphone to reduce the impact of a user’s motion pattern change to the accuracy of our system. In order to get rid of the multipath effect, we leverage multiple signal classification to calculate the direction of the target signal, and then design and deploy our system in various indoor scenes. Extensive comparative experiments show that our system is reliable under various circumstances. PMID:27801866
NASA Astrophysics Data System (ADS)
Silva, Goncalo; Talon, Laurent; Ginzburg, Irina
2017-04-01
is thoroughly evaluated in three benchmark tests, which are run throughout three distinctive permeability regimes. The first configuration is a horizontal porous channel, studied with a symbolic approach, where we construct the exact solutions of FEM and BF/IBF with different boundary schemes. The second problem refers to an inclined porous channel flow, which brings in as new challenge the formation of spurious boundary layers in LBM; that is, numerical artefacts that arise due to a deficient accommodation of the bulk solution by the low-accurate boundary scheme. The third problem considers a porous flow past a periodic square array of solid cylinders, which intensifies the previous two tests with the simulation of a more complex flow pattern. The ensemble of numerical tests provides guidelines on the effect of grid resolution and the TRT free collision parameter over the accuracy and the quality of the velocity field, spanning from Stokes to Darcy permeability regimes. It is shown that, with the use of the high-order accurate boundary schemes, the simple, uniform-mesh-based TRT-LBM formulation can even surpass the accuracy of FEM employing hardworking body-fitted meshes.
NASA Astrophysics Data System (ADS)
Wen, W. B.; Duan, S. Y.; Yan, J.; Ma, Y. B.; Wei, K.; Fang, D. N.
2017-03-01
An explicit time integration scheme based on quartic B-splines is presented for solving linear structural dynamics problems. The scheme is of a one-parameter family of schemes where free algorithmic parameter controls stability, accuracy and numerical dispersion. The proposed scheme possesses at least second-order accuracy and at most third-order accuracy. A 2D wave problem is analyzed to demonstrate the effectiveness of the proposed scheme in reducing high-frequency modes and retaining low-frequency modes. Except for general structural dynamics, the proposed scheme can be used effectively for wave propagation problems in which numerical dissipation is needed to reduce spurious oscillations.
A numerical scheme for nonlinear Helmholtz equations with strong nonlinear optical effects.
Xu, Zhengfu; Bao, Gang
2010-11-01
A numerical scheme is presented to solve the nonlinear Helmholtz (NLH) equation modeling second-harmonic generation (SHG) in photonic bandgap material doped with a nonlinear χ((2)) effect and the NLH equation modeling wave propagation in Kerr type gratings with a nonlinear χ((3)) effect in the one-dimensional case. Both of these nonlinear phenomena arise as a result of the combination of high electromagnetic mode density and nonlinear reaction from the medium. When the mode intensity of the incident wave is significantly strong, which makes the nonlinear effect non-negligible, numerical methods based on the linearization of the essentially nonlinear problem will become inadequate. In this work, a robust, stable numerical scheme is designed to simulate the NLH equations with strong nonlinearity.
NASA Astrophysics Data System (ADS)
Chirico, G. B.; Medina, H.; Romano, N.
2014-07-01
This paper examines the potential of different algorithms, based on the Kalman filtering approach, for assimilating near-surface observations into a one-dimensional Richards equation governing soil water flow in soil. Our specific objectives are: (i) to compare the efficiency of different Kalman filter algorithms in retrieving matric pressure head profiles when they are implemented with different numerical schemes of the Richards equation; (ii) to evaluate the performance of these algorithms when nonlinearities arise from the nonlinearity of the observation equation, i.e. when surface soil water content observations are assimilated to retrieve matric pressure head values. The study is based on a synthetic simulation of an evaporation process from a homogeneous soil column. Our first objective is achieved by implementing a Standard Kalman Filter (SKF) algorithm with both an explicit finite difference scheme (EX) and a Crank-Nicolson (CN) linear finite difference scheme of the Richards equation. The Unscented (UKF) and Ensemble Kalman Filters (EnKF) are applied to handle the nonlinearity of a backward Euler finite difference scheme. To accomplish the second objective, an analogous framework is applied, with the exception of replacing SKF with the Extended Kalman Filter (EKF) in combination with a CN numerical scheme, so as to handle the nonlinearity of the observation equation. While the EX scheme is computationally too inefficient to be implemented in an operational assimilation scheme, the retrieval algorithm implemented with a CN scheme is found to be computationally more feasible and accurate than those implemented with the backward Euler scheme, at least for the examined one-dimensional problem. The UKF appears to be as feasible as the EnKF when one has to handle nonlinear numerical schemes or additional nonlinearities arising from the observation equation, at least for systems of small dimensionality as the one examined in this study.
A novel numerical technique to obtain an accurate solution to the Thomas-Fermi equation
NASA Astrophysics Data System (ADS)
Parand, Kourosh; Yousefi, Hossein; Delkhosh, Mehdi; Ghaderi, Amin
2016-07-01
In this paper, a new algorithm based on the fractional order of rational Euler functions (FRE) is introduced to study the Thomas-Fermi (TF) model which is a nonlinear singular ordinary differential equation on a semi-infinite interval. This problem, using the quasilinearization method (QLM), converts to the sequence of linear ordinary differential equations to obtain the solution. For the first time, the rational Euler (RE) and the FRE have been made based on Euler polynomials. In addition, the equation will be solved on a semi-infinite domain without truncating it to a finite domain by taking FRE as basic functions for the collocation method. This method reduces the solution of this problem to the solution of a system of algebraic equations. We demonstrated that the new proposed algorithm is efficient for obtaining the value of y'(0) , y(x) and y'(x) . Comparison with some numerical and analytical solutions shows that the present solution is highly accurate.
Takahashi, F; Endo, A
2007-01-01
A system utilising radiation transport codes has been developed to derive accurate dose distributions in a human body for radiological accidents. A suitable model is quite essential for a numerical analysis. Therefore, two tools were developed to setup a 'problem-dependent' input file, defining a radiation source and an exposed person to simulate the radiation transport in an accident with the Monte Carlo calculation codes-MCNP and MCNPX. Necessary resources are defined by a dialogue method with a generally used personal computer for both the tools. The tools prepare human body and source models described in the input file format of the employed Monte Carlo codes. The tools were validated for dose assessment in comparison with a past criticality accident and a hypothesized exposure.
3 Lectures: "Lagrangian Models", "Numerical Transport Schemes", and "Chemical and Transport Models"
NASA Technical Reports Server (NTRS)
Douglass, A.
2005-01-01
The topics for the three lectures for the Canadian Summer School are Lagrangian Models, numerical transport schemes, and chemical and transport models. In the first lecture I will explain the basic components of the Lagrangian model (a trajectory code and a photochemical code), the difficulties in using such a model (initialization) and show some applications in interpretation of aircraft and satellite data. If time permits I will show some results concerning inverse modeling which is being used to evaluate sources of tropospheric pollutants. In the second lecture I will discuss one of the core components of any grid point model, the numerical transport scheme. I will explain the basics of shock capturing schemes, and performance criteria. I will include an example of the importance of horizontal resolution to polar processes. We have learned from NASA's global modeling initiative that horizontal resolution matters for predictions of the future evolution of the ozone hole. The numerical scheme will be evaluated using performance metrics based on satellite observations of long-lived tracers. The final lecture will discuss the evolution of chemical transport models over the last decade. Some of the problems with assimilated winds will be demonstrated, using satellite data to evaluate the simulations.
Numerical schemes for dynamically orthogonal equations of stochastic fluid and ocean flows
Ueckermann, M.P.; Lermusiaux, P.F.J.; Sapsis, T.P.
2013-01-15
The quantification of uncertainties is critical when systems are nonlinear and have uncertain terms in their governing equations or are constrained by limited knowledge of initial and boundary conditions. Such situations are common in multiscale, intermittent and non-homogeneous fluid and ocean flows. The dynamically orthogonal (DO) field equations provide an adaptive methodology to predict the probability density functions of such flows. The present work derives efficient computational schemes for the DO methodology applied to unsteady stochastic Navier-Stokes and Boussinesq equations, and illustrates and studies the numerical aspects of these schemes. Semi-implicit projection methods are developed for the mean and for the DO modes, and time-marching schemes of first to fourth order are used for the stochastic coefficients. Conservative second-order finite-volumes are employed in physical space with new advection schemes based on total variation diminishing methods. Other results include: (i) the definition of pseudo-stochastic pressures to obtain a number of pressure equations that is linear in the subspace size instead of quadratic; (ii) symmetric advection schemes for the stochastic velocities; (iii) the use of generalized inversion to deal with singular subspace covariances or deterministic modes; and (iv) schemes to maintain orthonormal modes at the numerical level. To verify our implementation and study the properties of our schemes and their variations, a set of stochastic flow benchmarks are defined including asymmetric Dirac and symmetric lock-exchange flows, lid-driven cavity flows, and flows past objects in a confined channel. Different Reynolds number and Grashof number regimes are employed to illustrate robustness. Optimal convergence under both time and space refinements is shown as well as the convergence of the probability density functions with the number of stochastic realizations.
A Comparison of Higher-Order Weak Numerical Schemes for Stopped Stochastic Differential Equations
NASA Astrophysics Data System (ADS)
Bernal, Francisco; Acebróon, Juan A.
2016-09-01
We review, implement, and compare numerical integration schemes for spatially bounded diffusions stopped at the boundary which possess a convergence rate of the discretization error with respect to the timestep $h$ higher than ${\\cal O}(\\sqrt{h})$. We address specific implementation issues of the most general-purpose of such schemes. They have been coded into a single Matlab program and compared, according to their accuracy and computational cost, on a wide range of problems in up to ${\\mathbb R}^{48}$. The paper is self-contained and the code will be made freely downloadable.
A New Framework to Compare Mass-Flux Schemes Within the AROME Numerical Weather Prediction Model
NASA Astrophysics Data System (ADS)
Riette, Sébastien; Lac, Christine
2016-08-01
In the Application of Research to Operations at Mesoscale (AROME) numerical weather forecast model used in operations at Météo-France, five mass-flux schemes are available to parametrize shallow convection at kilometre resolution. All but one are based on the eddy-diffusivity-mass-flux approach, and differ in entrainment/detrainment, the updraft vertical velocity equation and the closure assumption. The fifth is based on a more classical mass-flux approach. Screen-level scores obtained with these schemes show few discrepancies and are not sufficient to highlight behaviour differences. Here, we describe and use a new experimental framework, able to compare and discriminate among different schemes. For a year, daily forecast experiments were conducted over small domains centred on the five French metropolitan radio-sounding locations. Cloud base, planetary boundary-layer height and normalized vertical profiles of specific humidity, potential temperature, wind speed and cloud condensate were compared with observations, and with each other. The framework allowed the behaviour of the different schemes in and above the boundary layer to be characterized. In particular, the impact of the entrainment/detrainment formulation, closure assumption and cloud scheme were clearly visible. Differences mainly concerned the transport intensity thus allowing schemes to be separated into two groups, with stronger or weaker updrafts. In the AROME model (with all interactions and the possible existence of compensating errors), evaluation diagnostics gave the advantage to the first group.
Blackman, Jonathan; Field, Scott E; Galley, Chad R; Szilágyi, Béla; Scheel, Mark A; Tiglio, Manuel; Hemberger, Daniel A
2015-09-18
Simulating a binary black hole coalescence by solving Einstein's equations is computationally expensive, requiring days to months of supercomputing time. Using reduced order modeling techniques, we construct an accurate surrogate model, which is evaluated in a millisecond to a second, for numerical relativity (NR) waveforms from nonspinning binary black hole coalescences with mass ratios in [1, 10] and durations corresponding to about 15 orbits before merger. We assess the model's uncertainty and show that our modeling strategy predicts NR waveforms not used for the surrogate's training with errors nearly as small as the numerical error of the NR code. Our model includes all spherical-harmonic _{-2}Y_{ℓm} waveform modes resolved by the NR code up to ℓ=8. We compare our surrogate model to effective one body waveforms from 50M_{⊙} to 300M_{⊙} for advanced LIGO detectors and find that the surrogate is always more faithful (by at least an order of magnitude in most cases).
PolyPole-1: An accurate numerical algorithm for intra-granular fission gas release
NASA Astrophysics Data System (ADS)
Pizzocri, D.; Rabiti, C.; Luzzi, L.; Barani, T.; Van Uffelen, P.; Pastore, G.
2016-09-01
The transport of fission gas from within the fuel grains to the grain boundaries (intra-granular fission gas release) is a fundamental controlling mechanism of fission gas release and gaseous swelling in nuclear fuel. Hence, accurate numerical solution of the corresponding mathematical problem needs to be included in fission gas behaviour models used in fuel performance codes. Under the assumption of equilibrium between trapping and resolution, the process can be described mathematically by a single diffusion equation for the gas atom concentration in a grain. In this paper, we propose a new numerical algorithm (PolyPole-1) to efficiently solve the fission gas diffusion equation in time-varying conditions. The PolyPole-1 algorithm is based on the analytic modal solution of the diffusion equation for constant conditions, combined with polynomial corrective terms that embody the information on the deviation from constant conditions. The new algorithm is verified by comparing the results to a finite difference solution over a large number of randomly generated operation histories. Furthermore, comparison to state-of-the-art algorithms used in fuel performance codes demonstrates that the accuracy of PolyPole-1 is superior to other algorithms, with similar computational effort. Finally, the concept of PolyPole-1 may be extended to the solution of the general problem of intra-granular fission gas diffusion during non-equilibrium trapping and resolution, which will be the subject of future work.
Keeping the edge: an accurate numerical method to solve the stream power law
NASA Astrophysics Data System (ADS)
Campforts, B.; Govers, G.
2015-12-01
Bedrock rivers set the base level of surrounding hill slopes and mediate the dynamic interplay between mountain building and denudation. The propensity of rivers to preserve pulses of increased tectonic uplift also allows to reconstruct long term uplift histories from longitudinal river profiles. An accurate reconstruction of river profile development at different timescales is therefore essential. Long term river development is typically modeled by means of the stream power law. Under specific conditions this equation can be solved analytically but numerical Finite Difference Methods (FDMs) are most frequently used. Nonetheless, FDMs suffer from numerical smearing, especially at knickpoint zones which are key to understand transient landscapes. Here, we solve the stream power law by means of a Finite Volume Method (FVM) which is Total Variation Diminishing (TVD). Total volume methods are designed to simulate sharp discontinuities making them very suitable to model river incision. In contrast to FDMs, the TVD_FVM is well capable of preserving knickpoints as illustrated for the fast propagating Niagara falls. Moreover, we show that the TVD_FVM performs much better when reconstructing uplift at timescales exceeding 100 Myr, using Eastern Australia as an example. Finally, uncertainty associated with parameter calibration is dramatically reduced when the TVD_FVM is applied. Therefore, the use of a TVD_FVM to understand long term landscape evolution is an important addition to the toolbox at the disposition of geomorphologists.
Quinci, Federico; Dressler, Matthew; Strickland, Anthony M; Limbert, Georges
2014-04-01
Considerable progress has been made in understanding implant wear and developing numerical models to predict wear for new orthopaedic devices. However any model of wear could be improved through a more accurate representation of the biomaterial mechanics, including time-varying dynamic and inelastic behaviour such as viscosity and plastic deformation. In particular, most computational models of wear of UHMWPE implement a time-invariant version of Archard's law that links the volume of worn material to the contact pressure between the metal implant and the polymeric tibial insert. During in-vivo conditions, however, the contact area is a time-varying quantity and is therefore dependent upon the dynamic deformation response of the material. From this observation one can conclude that creep deformations of UHMWPE may be very important to consider when conducting computational wear analyses, in stark contrast to what can be found in the literature. In this study, different numerical modelling techniques are compared with experimental creep testing on a unicondylar knee replacement system in a physiologically representative context. Linear elastic, plastic and time-varying visco-dynamic models are benchmarked using literature data to predict contact deformations, pressures and areas. The aim of this study is to elucidate the contributions of viscoelastic and plastic effects on these surface quantities. It is concluded that creep deformations have a significant effect on the contact pressure measured (experiment) and calculated (computational models) at the surface of the UHMWPE unicondylar insert. The use of a purely elastoplastic constitutive model for UHMWPE lead to compressive deformations of the insert which are much smaller than those predicted by a creep-capturing viscoelastic model (and those measured experimentally). This shows again the importance of including creep behaviour into a constitutive model in order to predict the right level of surface deformation
NASA Astrophysics Data System (ADS)
Ripoche, J.; Lacroix, D.; Gambacurta, D.; Ebran, J.-P.; Duguet, T.
2017-01-01
internucleon coupling defining the pairing Hamiltonian and driving the normal-to-superfluid quantum phase transition. The presently proposed method offers the advantage of automatic access to the low-lying spectroscopy, which it does with high accuracy. Conclusions: The numerical cost of the newly designed variational method is polynomial (N6) in system size. This method achieves unprecedented accuracy for the ground-state correlation energy, effective pairing gap, and one-body entropy as well as for the excitation energy of low-lying states of the attractive pairing Hamiltonian. This constitutes a sufficiently strong motivation to envision its application to realistic nuclear Hamiltonians in view of providing a complementary, accurate, and versatile ab initio description of mid-mass open-shell nuclei in the future.
NASA Astrophysics Data System (ADS)
Moczo, P.; Kristek, J.; Galis, M.; Chaljub, E.; Chen, X.; Zhang, Z.
2012-04-01
Numerical modeling of earthquake ground motion in sedimentary basins and valleys often has to account for the P-wave to S-wave speed ratios (VP/VS) as large as five and even larger, mainly in sediments below groundwater level. The ratio can attain values larger than 10 - the unconsolidated lake sediments in Ciudad de México are a good example. At the same time, accuracy of the numerical schemes with respect to VP/VS has not been sufficiently analyzed. The numerical schemes are often applied without adequate check of the accuracy. We present theoretical analysis and numerical comparison of 18 3D numerical time-domain explicit schemes for modeling seismic motion for their accuracy with the varying VP/VS. The schemes are based on the finite-difference, spectral-element, finite-element and discontinuous-Galerkin methods. All schemes are presented in a unified form. Theoretical analysis compares accuracy of the schemes in terms of local errors in amplitude and vector difference. In addition to the analysis we compare numerically simulated seismograms with exact solutions for canonical configurations. We compare accuracy of the schemes in terms of the local errors, grid dispersion and full wavefield simulations with respect to the structure of the numerical schemes.
NASA Astrophysics Data System (ADS)
Tritschler, V. K.; Hu, X. Y.; Hickel, S.; Adams, N. A.
2013-07-01
Two-dimensional simulations of the single-mode Richtmyer-Meshkov instability (RMI) are conducted and compared to experimental results of Jacobs and Krivets (2005 Phys. Fluids 17 034105). The employed adaptive central-upwind sixth-order weighted essentially non-oscillatory (WENO) scheme (Hu et al 2010 J. Comput. Phys. 229 8952-65) introduces only very small numerical dissipation while preserving the good shock-capturing properties of other standard WENO schemes. Hence, it is well suited for simulations with both small-scale features and strong gradients. A generalized Roe average is proposed to make the multicomponent model of Shyue (1998 J. Comput. Phys. 142 208-42) suitable for high-order accurate reconstruction schemes. A first sequence of single-fluid simulations is conducted and compared to the experiment. We find that the WENO-CU6 method better resolves small-scale structures, leading to earlier symmetry breaking and increased mixing. The first simulation, however, fails to correctly predict the global characteristic structures of the RMI. This is due to a mismatch of the post-shock parameters in single-fluid simulations when the pre-shock states are matched with the experiment. When the post-shock parameters are matched, much better agreement with the experimental data is achieved. In a sequence of multifluid simulations, the uncertainty in the density gradient associated with transition between the fluids is assessed. Thereby the multifluid simulations show a considerable improvement over the single-fluid simulations.
Numerical scheme to complete a compressible gas flow in variable porosity media
NASA Astrophysics Data System (ADS)
Rochette, D.; Clain, S.; Buffard, T.
2005-05-01
We present an approximate Riemann solver coupled with a finite volume method to compute non conservative Euler equations in variable porosity media using ideal gas state law. The non conservative term is numerically taken into account from an original idea of LeRoux (1998) but here Riemann problems at each interface of the mesh are linearized using a VFRoe approach. The main goal is the resolution of the non conservative system even if the porosity is discontinuous. Stationary solutions are determined with continuous and discontinuous porosity in order to test the numerical scheme and computations of gas shock subsonic wave moving in a non continuous porosity medium are presented.
Romá, Federico; Cugliandolo, Leticia F; Lozano, Gustavo S
2014-08-01
We introduce a numerical method to integrate the stochastic Landau-Lifshitz-Gilbert equation in spherical coordinates for generic discretization schemes. This method conserves the magnetization modulus and ensures the approach to equilibrium under the expected conditions. We test the algorithm on a benchmark problem: the dynamics of a uniformly magnetized ellipsoid. We investigate the influence of various parameters, and in particular, we analyze the efficiency of the numerical integration, in terms of the number of steps needed to reach a chosen long time with a given accuracy.
A numerical scheme for optimal transition paths of stochastic chemical kinetic systems
Liu Di
2008-10-01
We present a new framework for finding the optimal transition paths of metastable stochastic chemical kinetic systems with large system size. The optimal transition paths are identified to be the most probable paths according to the Large Deviation Theory of stochastic processes. Dynamical equations for the optimal transition paths are derived using the variational principle. A modified Minimum Action Method (MAM) is proposed as a numerical scheme to solve the optimal transition paths. Applications to Gene Regulatory Networks such as the toggle switch model and the Lactose Operon Model in Escherichia coli are presented as numerical examples.
NASA Astrophysics Data System (ADS)
Pan, Liang; Xu, Kun; Li, Qibing; Li, Jiequan
2016-12-01
For computational fluid dynamics (CFD), the generalized Riemann problem (GRP) solver and the second-order gas-kinetic scheme (GKS) provide a time-accurate flux function starting from a discontinuous piecewise linear flow distributions around a cell interface. With the adoption of time derivative of the flux function, a two-stage Lax-Wendroff-type (L-W for short) time stepping method has been recently proposed in the design of a fourth-order time accurate method for inviscid flow [21]. In this paper, based on the same time-stepping method and the second-order GKS flux function [42], a fourth-order gas-kinetic scheme is constructed for the Euler and Navier-Stokes (NS) equations. In comparison with the formal one-stage time-stepping third-order gas-kinetic solver [24], the current fourth-order method not only reduces the complexity of the flux function, but also improves the accuracy of the scheme. In terms of the computational cost, a two-dimensional third-order GKS flux function takes about six times of the computational time of a second-order GKS flux function. However, a fifth-order WENO reconstruction may take more than ten times of the computational cost of a second-order GKS flux function. Therefore, it is fully legitimate to develop a two-stage fourth order time accurate method (two reconstruction) instead of standard four stage fourth-order Runge-Kutta method (four reconstruction). Most importantly, the robustness of the fourth-order GKS is as good as the second-order one. In the current computational fluid dynamics (CFD) research, it is still a difficult problem to extend the higher-order Euler solver to the NS one due to the change of governing equations from hyperbolic to parabolic type and the initial interface discontinuity. This problem remains distinctively for the hypersonic viscous and heat conducting flow. The GKS is based on the kinetic equation with the hyperbolic transport and the relaxation source term. The time-dependent GKS flux function
Advanced numerical techniques for accurate unsteady simulations of a wingtip vortex
NASA Astrophysics Data System (ADS)
Ahmad, Shakeel
A numerical technique is developed to simulate the vortices associated with stationary and flapping wings. The Unsteady Reynolds-Averaged Navier-Stokes (URANS) equations are used over an unstructured grid. The present work assesses the locations of the origins of vortex generation, models those locations and develops a systematic mesh refinement strategy to simulate vortices more accurately using the URANS model. The vortex center plays a key role in the analysis of the simulation data. A novel approach to locating a vortex center is also developed referred to as the Max-Max criterion. Experimental validation of the simulated vortex from a stationary NACA0012 wing is achieved. The tangential velocity along the core of the vortex falls within five percent of the experimental data in the case of the stationary NACA0012 simulation. The wing surface pressure coefficient also matches with the experimental data. The refinement techniques are then focused on unsteady simulations of pitching and dual-mode wing flapping. Tip vortex strength, location, and wing surface pressure are analyzed. Links to vortex behavior and wing motion are inferred. Key words: vortex, tangential velocity, Cp, vortical flow, unsteady vortices, URANS, Max-Max, Vortex center
A faster numerical scheme for a coupled system modeling soil erosion and sediment transport
NASA Astrophysics Data System (ADS)
Le, M.-H.; Cordier, S.; Lucas, C.; Cerdan, O.
2015-02-01
Overland flow and soil erosion play an essential role in water quality and soil degradation. Such processes, involving the interactions between water flow and the bed sediment, are classically described by a well-established system coupling the shallow water equations and the Hairsine-Rose model. Numerical approximation of this coupled system requires advanced methods to preserve some important physical and mathematical properties; in particular, the steady states and the positivity of both water depth and sediment concentration. Recently, finite volume schemes based on Roe's solver have been proposed by Heng et al. (2009) and Kim et al. (2013) for one and two-dimensional problems. In their approach, an additional and artificial restriction on the time step is required to guarantee the positivity of sediment concentration. This artificial condition can lead the computation to be costly when dealing with very shallow flow and wet/dry fronts. The main result of this paper is to propose a new and faster scheme for which only the CFL condition of the shallow water equations is sufficient to preserve the positivity of sediment concentration. In addition, the numerical procedure of the erosion part can be used with any well-balanced and positivity preserving scheme of the shallow water equations. The proposed method is tested on classical benchmarks and also on a realistic configuration.
An efficient numerical progressive diagonalization scheme for the quantum Rabi model revisited
NASA Astrophysics Data System (ADS)
Pan, Feng; Bao, Lina; Dai, Lianrong; Draayer, Jerry P.
2017-02-01
An efficient numerical progressive diagonalization scheme for the quantum Rabi model is revisited. The advantage of the scheme lies in the fact that the quantum Rabi model can be solved almost exactly by using the scheme that only involves a finite set of one variable polynomial equations. The scheme is especially efficient for a specified eigenstate of the model, for example, the ground state. Some low-lying level energies of the model for several sets of parameters are calculated, of which one set of the results is compared to that obtained from the Braak’s exact solution proposed recently. It is shown that the derivative of the entanglement measure defined in terms of the reduced von Neumann entropy with respect to the coupling parameter does reach the maximum near the critical point deduced from the classical limit of the Dicke model, which may provide a probe of the critical point of the crossover in finite quantum many-body systems, such as that in the quantum Rabi model.
A chaos detectable and time step-size adaptive numerical scheme for nonlinear dynamical systems
NASA Astrophysics Data System (ADS)
Chen, Yung-Wei; Liu, Chein-Shan; Chang, Jiang-Ren
2007-02-01
The first step in investigation the dynamics of a continuous time system described by ordinary differential equations is to integrate them to obtain trajectories. In this paper, we convert the group-preserving scheme (GPS) developed by Liu [International Journal of Non-Linear Mechanics 36 (2001) 1047-1068] to a time step-size adaptive scheme, x=x+hf(x,t), where x∈R is the system variables we are concerned with, and f(x,t)∈R is a time-varying vector field. The scheme has the form similar to the Euler scheme, x=x+Δtf(x,t), but our step-size h is adaptive automatically. Very interestingly, the ratio h/Δt, which we call the adaptive factor, can forecast the appearance of chaos if the considered dynamical system becomes chaotical. The numerical examples of the Duffing equation, the Lorenz equation and the Rossler equation, which may exhibit chaotic behaviors under certain parameters values, are used to demonstrate these phenomena. Two other non-chaotic examples are included to compare the performance of the GPS and the adaptive one.
Numerical Speed of Sound and its Application to Schemes for all Speeds
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing; Edwards, Jack R.
1999-01-01
The concept of "numerical speed of sound" is proposed in the construction of numerical flux. It is shown that this variable is responsible for the accurate resolution of' discontinuities, such as contacts and shocks. Moreover, this concept can he readily extended to deal with low speed and multiphase flows. As a results, the numerical dissipation for low speed flows is scaled with the local fluid speed, rather than the sound speed. Hence, the accuracy is enhanced the correct solution recovered, and the convergence rate improved. We also emphasize the role of mass flux and analyze the behavior of this flux. Study of mass flux is important because the numerical diffusivity introduced in it can be identified. In addition, it is the term common to all conservation equations. We show calculated results for a wide variety of flows to validate the effectiveness of using the numerical speed of sound concept in constructing the numerical flux. We especially aim at achieving these two goals: (1) improving accuracy and (2) gaining convergence rates for all speed ranges. We find that while the performance at high speed range is maintained, the flux now has the capability of performing well even with the low: speed flows. Thanks to the new numerical speed of sound, the convergence is even enhanced for the flows outside of the low speed range. To realize the usefulness of the proposed method in engineering problems, we have also performed calculations for complex 3D turbulent flows and the results are in excellent agreement with data.
A time-accurate adaptive grid method and the numerical simulation of a shock-vortex interaction
NASA Technical Reports Server (NTRS)
Bockelie, Michael J.; Eiseman, Peter R.
1990-01-01
A time accurate, general purpose, adaptive grid method is developed that is suitable for multidimensional steady and unsteady numerical simulations. The grid point movement is performed in a manner that generates smooth grids which resolve the severe solution gradients and the sharp transitions in the solution gradients. The temporal coupling of the adaptive grid and the PDE solver is performed with a grid prediction correction method that is simple to implement and ensures the time accuracy of the grid. Time accurate solutions of the 2-D Euler equations for an unsteady shock vortex interaction demonstrate the ability of the adaptive method to accurately adapt the grid to multiple solution features.
Accurate numerical forward model for optimal retracking of SIRAL2 SAR echoes over open ocean
NASA Astrophysics Data System (ADS)
Phalippou, L.; Demeestere, F.
2011-12-01
The SAR mode of SIRAL-2 on board Cryosat-2 has been designed to measure primarily sea-ice and continental ice (Wingham et al. 2005). In 2005, K. Raney (KR, 2005) pointed out the improvements brought by SAR altimeter for open ocean. KR results were mostly based on 'rule of thumb' considerations on speckle noise reduction due to the higher PRF and to speckle decorrelation after SAR processing. In 2007, Phalippou and Enjolras (PE,2007) provided the theoretical background for optimal retracking of SAR echoes over ocean with a focus on the forward modelling of the power-waveforms. The accuracies of geophysical parameters (range, significant wave heights, and backscattering coefficient) retrieved from SAR altimeter data were derived accounting for SAR echo shape and speckle noise accurate modelling. The step forward to optimal retracking using numerical forward model (NFM) was also pointed out. NFM of the power waveform avoids analytical approximation, a warranty to minimise the geophysical dependent biases in the retrieval. NFM have been used for many years, in operational meteorology in particular, for retrieving temperature and humidity profiles from IR and microwave radiometers as the radiative transfer function is complex (Eyre, 1989). So far this technique was not used in the field of ocean conventional altimetry as analytical models (e.g. Brown's model for instance) were found to give sufficient accuracy. However, although NFM seems desirable even for conventional nadir altimetry, it becomes inevitable if one wish to process SAR altimeter data as the transfer function is too complex to be approximated by a simple analytical function. This was clearly demonstrated in PE 2007. The paper describes the background to SAR data retracking over open ocean. Since PE 2007 improvements have been brought to the forward model and it is shown that the altimeter on-ground and in flight characterisation (e.g antenna pattern range impulse response, azimuth impulse response
NASA Astrophysics Data System (ADS)
Wosnik, M.; Bachant, P.
2014-12-01
Cross-flow turbines, often referred to as vertical-axis turbines, show potential for success in marine hydrokinetic (MHK) and wind energy applications, ranging from small- to utility-scale installations in tidal/ocean currents and offshore wind. As turbine designs mature, the research focus is shifting from individual devices to the optimization of turbine arrays. It would be expensive and time-consuming to conduct physical model studies of large arrays at large model scales (to achieve sufficiently high Reynolds numbers), and hence numerical techniques are generally better suited to explore the array design parameter space. However, since the computing power available today is not sufficient to conduct simulations of the flow in and around large arrays of turbines with fully resolved turbine geometries (e.g., grid resolution into the viscous sublayer on turbine blades), the turbines' interaction with the energy resource (water current or wind) needs to be parameterized, or modeled. Models used today--a common model is the actuator disk concept--are not able to predict the unique wake structure generated by cross-flow turbines. This wake structure has been shown to create "constructive" interference in some cases, improving turbine performance in array configurations, in contrast with axial-flow, or horizontal axis devices. Towards a more accurate parameterization of cross-flow turbines, an extensive experimental study was carried out using a high-resolution turbine test bed with wake measurement capability in a large cross-section tow tank. The experimental results were then "interpolated" using high-fidelity Navier--Stokes simulations, to gain insight into the turbine's near-wake. The study was designed to achieve sufficiently high Reynolds numbers for the results to be Reynolds number independent with respect to turbine performance and wake statistics, such that they can be reliably extrapolated to full scale and used for model validation. The end product of
Some considerations on numerical schemes for treating hyperbolicity issues in two-layer models
NASA Astrophysics Data System (ADS)
Sarno, L.; Carravetta, A.; Martino, R.; Papa, M. N.; Tai, Y.-C.
2017-02-01
Multi-layer depth-averaged models are widely employed in various hydraulic engineering applications. Yet, such models are not strictly hyperbolic. Their equation systems typically lose hyperbolicity when the relative velocities between layers become too large, which is associated with Kelvin-Helmholtz instabilities involving turbulent momentum exchanges between the layers. Focusing on the two-layer case, we present a numerical improvement that locally avoids the loss of hyperbolicity. The proposed modification introduces an additional momentum exchange between layers, whose value is iteratively calculated to be strictly sufficient to keep the system hyperbolic. The approach can be easily implemented in any finite volume scheme and there is no limitation concerning the density ratio between layers. Numerical examples, employing both HLL-type and Roe-type approximate Riemann solvers, are reported to validate the method and its key features.
NASA Astrophysics Data System (ADS)
Gilchrist, S. A.; Braun, D. C.; Barnes, G.
2016-12-01
Magnetohydrostatic models of the solar atmosphere are often based on idealized analytic solutions because the underlying equations are too difficult to solve in full generality. Numerical approaches, too, are often limited in scope and have tended to focus on the two-dimensional problem. In this article we develop a numerical method for solving the nonlinear magnetohydrostatic equations in three dimensions. Our method is a fixed-point iteration scheme that extends the method of Grad and Rubin ( Proc. 2nd Int. Conf. on Peaceful Uses of Atomic Energy 31, 190, 1958) to include a finite gravity force. We apply the method to a test case to demonstrate the method in general and our implementation in code in particular.
NASA Astrophysics Data System (ADS)
Jauberteau, F.; Temam, R. M.; Tribbia, J.
2014-08-01
In this paper, we study several multiscale/fractional step schemes for the numerical solution of the rotating shallow water equations with complex topography. We consider the case of periodic boundary conditions (f-plane model). Spatial discretization is obtained using a Fourier spectral Galerkin method. For the schemes presented in this paper we consider two approaches. The first approach (multiscale schemes) is based on topography scale separation and the numerical time integration is function of the scales. The second approach is based on a splitting of the operators, and the time integration method is function of the operator considered (fractional step schemes). The numerical results obtained are compared with the explicit reference scheme (Leap-Frog scheme). With these multiscale/fractional step schemes the objective is to propose new schemes giving numerical results similar to those obtained using only one uniform fine grid N×N and a time step Δt, but with a CPU time near the CPU time needed when using only one coarse grid N1×N1, N1
Numerical simulation of transonic limit cycle oscillations using high-order low-diffusion schemes
NASA Astrophysics Data System (ADS)
Wang, Baoyuan; Zha, Ge-Cheng
2010-05-01
This paper simulates the NLR7301 airfoil limit cycle oscillation (LCO) caused by fluid-structure interaction (FSI) using Reynolds averaged Navier-Stokes equations (RANS) coupled with Spalart-Allmaras (S-A) one-equation turbulence model. A low diffusion E-CUSP (LDE) scheme with 5th order weighted essentially nonoscillatory scheme (WENO) is employed to calculate the inviscid fluxes. A fully conservative 4th order central differencing is used for the viscous terms. A fully coupled fluid-structural interaction model is employed. For the case computed in this paper, the predicted LCO frequency, amplitudes, averaged lift and moment, all agree excellently with the experiment performed by Schewe et al. The solutions appear to have bifurcation and are dependent on the initial fields or initial perturbation. The developed computational fluid dynamics (CFD)/computational structure dynamics (CSD) simulation is able to capture the LCO with very small amplitudes measured in the experiment. This is attributed to the high order low diffusion schemes, fully coupled FSI model, and the turbulence model used. This research appears to be the first time that a numerical simulation of LCO matches the experiment. The simulation confirms several observations of the experiment.
Comparing numerical integration schemes for time-continuous car-following models
NASA Astrophysics Data System (ADS)
Treiber, Martin; Kanagaraj, Venkatesan
2015-02-01
When simulating trajectories by integrating time-continuous car-following models, standard integration schemes such as the fourth-order Runge-Kutta method (RK4) are rarely used while the simple Euler method is popular among researchers. We compare four explicit methods both analytically and numerically: Euler's method, ballistic update, Heun's method (trapezoidal rule), and the standard RK4. As performance metrics, we plot the global discretization error as a function of the numerical complexity. We tested the methods on several time-continuous car-following models in several multi-vehicle simulation scenarios with and without discontinuities such as stops or a discontinuous behavior of an external leader. We find that the theoretical advantage of RK4 (consistency order 4) only plays a role if both the acceleration function of the model and the trajectory of the leader are sufficiently often differentiable. Otherwise, we obtain lower (and often fractional) consistency orders. Although, to our knowledge, Heun's method has never been used for integrating car-following models, it turns out to be the best scheme for many practical situations. The ballistic update always prevails over Euler's method although both are of first order.
A well-balanced numerical scheme for shallow water simulation on adaptive grids
NASA Astrophysics Data System (ADS)
Zhang, H. J.; Zhou, J. Z.; Bi, S.; Li, Q. Q.; Fan, Y.
2014-04-01
The efficiency of solving two-dimensional shallow-water equations (SWEs) is vital for simulation of large-scale flood inundation. For flood flows over real topography, local high-resolution method, which uses adaptable grids, is required in order to prevent the loss of accuracy of the flow pattern while saving computational cost. This paper introduces an adaptive grid model, which uses an adaptive criterion calculated on the basis of the water lever. The grid adaption is performed by manipulating subdivision levels of the computation grids. As the flow feature varies during the shallow wave propagation, the local grid density changes adaptively and the stored information of neighbor relationship updates correspondingly, achieving a balance between the model accuracy and running efficiency. In this work, a well-balanced (WB) scheme for solving SWEs is introduced. In reconstructions of Riemann state, the definition of the unique bottom elevation on grid interfaces is modified, and the numerical scheme is pre-balanced automatically. By the validation against two idealist test cases, the proposed model is applied to simulate flood inundation due to a dam-break of Zhanghe Reservoir, Hubei province, China. The results show that the presented model is robust and well-balanced, has nice computational efficiency and numerical stability, and thus has bright application prospects.
NASA Astrophysics Data System (ADS)
Qiu, Zhongfeng; Doglioli, Andrea M.; He, Yijun; Carlotti, Francois
2011-03-01
This paper presents two comparisons or tests for a Lagrangian model of zooplankton dispersion: numerical schemes and time steps. Firstly, we compared three numerical schemes using idealized circulations. Results show that the precisions of the advanced Adams-Bashfold-Moulton (ABM) method and the Runge-Kutta (RK) method were in the same order and both were much higher than that of the Euler method. Furthermore, the advanced ABM method is more efficient than the RK method in computational memory requirements and time consumption. We therefore chose the advanced ABM method as the Lagrangian particle-tracking algorithm. Secondly, we performed a sensitivity test for time steps, using outputs of the hydrodynamic model, Symphonie. Results show that the time step choices depend on the fluid response time that is related to the spatial resolution of velocity fields. The method introduced by Oliveira et al. in 2002 is suitable for choosing time steps of Lagrangian particle-tracking models, at least when only considering advection.
Numerical Simulation of Compressible Multi-phase flows using HLLC extension of AUSM +-up Scheme
NASA Astrophysics Data System (ADS)
Dhir, Gaurav; Bodi, Kowsik
2016-11-01
Solving Multi-fluid equations has always required an onerous effort from researchers with regards to implementing an appropriate numerical scheme which could capture the various facets of such type of flows along with the interaction between the various phases present. Additionally, multi-phase flows bring with them peculiar mathematical properties such as non-hyperbolicity and non-conservativeness which further increases the complexity involved. Our presentation shall present an insight into the advantages and limitations of several numerical schemes proposed in the past and propose to use the HLLC extension of AUSM +-up approach to model such type of flows. We use the single pressure based stratified flow concept and by presenting several test cases, we prove that our method robustly computes multi-phase flow involving discontinuities, such as shock waves and fluid interfaces. Additionally, we present a formulation to incorporate phase transition within multi-fluid equations and establish the validity of this method by presenting several two dimensional test cases such as the Shock-Water Column Interaction problem, the Water-Shock/Air Bubble Interaction problem and the 2D Underwater Explosion problem. Industrial Research and Consultancy Centre, IIT Bombay.
A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma
Ku, S.; Hager, R.; Chang, C.S.; Kwon, J.M.; Parker, S.E.
2016-06-15
In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.
A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma
Ku, S.; Hager, R.; Chang, C. S.; Kwon, J. M.; Parker, S. E.
2016-06-01
In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.
Numerical simulations of non-equilibrium shock layers with efficient implicit schemes
NASA Technical Reports Server (NTRS)
Cambier, Jean-Luc; Prabhu, Dinesh K.
1992-01-01
Current and future calculations of nonequilibrium shock layers require the use of a very large number of equations, due to a multiplicity of chemical species, excited states, and internal energy modes. The computational cost associated with the use of standard implicit methods becomes prohibitive; it is therefore desirable to examine the potential of several methods and determine if any can be projected to be more efficient and accurate for large systems of equations. Here, the performance of several implicit schemes on several simple practical examples of reacting flows is examined. The Euler equations are solved by three different implicit methods, and two methods of coupling between the fluid dynamics and the chemistry are studied. Several cases of stiffness are considered and both 1D and 2D examples are computed.
NASA Astrophysics Data System (ADS)
Bhattacharya, Amitabh
2013-11-01
An efficient algorithm for simulating Stokes flow around particles is presented here, in which a second order Finite Difference method (FDM) is coupled to a Boundary Integral method (BIM). This method utilizes the strong points of FDM (i.e. localized stencil) and BIM (i.e. accurate representation of particle surface). Specifically, in each iteration, the flow field away from the particles is solved on a Cartesian FDM grid, while the traction on the particle surface (given the the velocity of the particle) is solved using BIM. The two schemes are coupled by matching the solution in an intermediate region between the particle and surrounding fluid. We validate this method by solving for flow around an array of cylinders, and find good agreement with Hasimoto's (J. Fluid Mech. 1959) analytical results.
NASA Astrophysics Data System (ADS)
Nguyen, T. T.; Laurent, F.; Fox, R. O.; Massot, M.
2016-11-01
The accurate description and robust simulation, at relatively low cost, of global quantities (e.g. number density or volume fraction) as well as the size distribution of a population of fine particles in a carrier fluid is still a major challenge for many applications. For this purpose, two types of methods are investigated for solving the population balance equation with aggregation, continuous particle size change (growth and size reduction), and nucleation: the extended quadrature method of moments (EQMOM) based on the work of Yuan et al. [52] and a hybrid method (TSM) between the sectional and moment methods, considering two moments per section based on the work of Laurent et al. [30]. For both methods, the closure employs a continuous reconstruction of the number density function of the particles from its moments, thus allowing evaluation of all the unclosed terms in the moment equations, including the negative flux due to the disappearance of particles. Here, new robust and efficient algorithms are developed for this reconstruction step and two kinds of reconstruction are tested for each method. Moreover, robust and accurate numerical methods are developed, ensuring the realizability of the moments. The robustness is ensured with efficient and tractable algorithms despite the numerous couplings and various algebraic constraints thanks to a tailored overall strategy. EQMOM and TSM are compared to a sectional method for various simple but relevant test cases, showing their ability to describe accurately the fine-particle population with a much lower number of variables. These results demonstrate the efficiency of the modeling and numerical choices, and their potential for the simulation of real-world applications.
NASA Technical Reports Server (NTRS)
Lang, Steve; Tao, W.-K.; Simpson, J.; Ferrier, B.; Einaudi, Franco (Technical Monitor)
2001-01-01
Six different convective-stratiform separation techniques, including a new technique that utilizes the ratio of vertical and terminal velocities, are compared and evaluated using two-dimensional numerical simulations of a tropical [Tropical Ocean Global Atmosphere Coupled Ocean-Atmosphere Response Experiment (TOGA COARE)] and midlatitude continental [Preliminary Regional Experiment for STORM-Central (PRESTORM)] squall line. The simulations are made using two different numerical advection schemes: 4th order and positive definite advection. Comparisons are made in terms of rainfall, cloud coverage, mass fluxes, apparent heating and moistening, mean hydrometeor profiles, CFADs (Contoured Frequency with Altitude Diagrams), microphysics, and latent heating retrieval. Overall, it was found that the different separation techniques produced results that qualitatively agreed. However, the quantitative differences were significant. Observational comparisons were unable to conclusively evaluate the performance of the techniques. Latent heating retrieval was shown to be sensitive to the use of separation technique mainly due to the stratiform region for methods that found very little stratiform rain. The midlatitude PRESTORM simulation was found to be nearly invariant with respect to advection type for most quantities while for TOGA COARE fourth order advection produced numerous shallow convective cores and positive definite advection fewer cells that were both broader and deeper penetrating above the freezing level.
BTTB-based numerical schemes for three-dimensional gravity field inversion
NASA Astrophysics Data System (ADS)
Zhang, Yile; Wong, Yau Shu
2015-10-01
This paper presents efficient numerical schemes for 3-D gravity field inversion. We propose a 2-D multilayer model to approximate a 3-D density distribution, and prove that the solution of the multilayer model will converge to the discretized 3-D solution. Differed from the conventional fast Fourier transform (FFT) based methods in which FFT is applied to the kernel, the proposed approach directly generates the Block-Toeplitz Toeplitz-Block (BTTB) structure by discretizing the multilayer model and the BTTB matrix is embedded into a Block-Circulant Circulant-Block (BCCB) matrix such that FFT can be utilized. In this approach, both regularization and optimal pre-conditioning operator can be constructed in the form of BTTB matrix. Consequently, very efficient solvers can be developed, and tremendous reduction in storage requirement and computing time can be achieved. To validate the new approach, numerical simulations using synthetic and real field data are reported, and numerical analysis is carried out for the inversion problems. Based on this study, we conclude that the proposed methods are capable of performing large-scale 3-D density inversions with a modest computing resource.
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.
Numerical simulation of three-dimensional transonic turbulent projectile aerodynamics by TVD schemes
NASA Technical Reports Server (NTRS)
Shiau, Nae-Haur; Hsu, Chen-Chi; Chyu, Wei-Jao
1989-01-01
The two-dimensional symmetric TVD scheme proposed by Yee has been extended to and investigated for three-dimensional thin-layer Navier-Stokes simulation of complex aerodynamic problems. An existing three-dimensional Navier-stokes code based on the beam and warming algorithm is modified to provide an option of using the TVD algorithm and the flow problem considered is a transonic turbulent flow past a projectile with sting at ten-degree angle of attack. Numerical experiments conducted for three flow cases, free-stream Mach numbers of 0.91, 0.96 and 1.20 show that the symmetric TVD algorithm can provide surface pressure distribution in excellent agreement with measured data; moreover, the rate of convergence to attain a steady state solution is about two times faster than the original beam and warming algorithm.
A benchmark for numerical scheme validation of airborne particle exposure in street canyons.
Marini, S; Buonanno, G; Stabile, L; Avino, P
2015-02-01
Measurements of particle concentrations and distributions in terms of number, surface area, and mass were performed simultaneously at eight sampling points within a symmetric street canyon of an Italian city. The aim was to obtain a useful benchmark for validation of wind tunnel experiments and numerical schemes: to this purpose, the influence of wind directions and speeds was considered. Particle number concentrations (PNCs) were higher on the leeward side than the windward side of the street canyon due to the wind vortex effect. Different vertical PNC profiles were observed between the two canyon sides depending on the wind direction and speed at roof level. A decrease in particle concentrations was observed with increasing rooftop wind speed, except for the coarse fraction indicating a possible particle resuspension due to the traffic and wind motion. This study confirms that particle concentration fields in urban street canyons are strongly influenced by traffic emissions and meteorological parameters, especially wind direction and speed.
Parallel solution of high-order numerical schemes for solving incompressible flows
NASA Technical Reports Server (NTRS)
Milner, Edward J.; Lin, Avi; Liou, May-Fun; Blech, Richard A.
1993-01-01
A new parallel numerical scheme for solving incompressible steady-state flows is presented. The algorithm uses a finite-difference approach to solving the Navier-Stokes equations. The algorithms are scalable and expandable. They may be used with only two processors or with as many processors as are available. The code is general and expandable. Any size grid may be used. Four processors of the NASA LeRC Hypercluster were used to solve for steady-state flow in a driven square cavity. The Hypercluster was configured in a distributed-memory, hypercube-like architecture. By using a 50-by-50 finite-difference solution grid, an efficiency of 74 percent (a speedup of 2.96) was obtained.
ADI FD schemes for the numerical solution of the three-dimensional Heston-Cox-Ingersoll-Ross PDE
NASA Astrophysics Data System (ADS)
Haentjens, Tinne
2012-09-01
This paper deals with the numerical solution of the time-dependent, three-dimensional Heston-Cox-Ingersoll- Ross PDE, with all correlations nonzero, for the fair pricing of European call options. We apply a finite difference dis-cretization on non-uniform spatial grids and then numerically solve the semi-discrete system in time by using an Alternating Direction Implicit scheme. We show that this leads to a highly efficient and stable numerical solution method.
2015-11-24
Simulations? Scheme Selection and Scale- Discriminant Stabilization 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S...N/A Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std. 239.18 1 Scheme Selection and Scale- Discriminant Stabilization How Many Grid...Statement A: Approved for public release; distribution is unlimited. Damping Characteristics: Growth Factor 10 - need scale- discriminant , tunable
Numerical schemes for anomalous diffusion of single-phase fluids in porous media
NASA Astrophysics Data System (ADS)
Awotunde, Abeeb A.; Ghanam, Ryad A.; Al-Homidan, Suliman S.; Tatar, Nasser-eddine
2016-10-01
Simulation of fluid flow in porous media is an indispensable part of oil and gas reservoir management. Accurate prediction of reservoir performance and profitability of investment rely on our ability to model the flow behavior of reservoir fluids. Over the years, numerical reservoir simulation models have been based mainly on solutions to the normal diffusion of fluids in the porous reservoir. Recently, however, it has been documented that fluid flow in porous media does not always follow strictly the normal diffusion process. Small deviations from normal diffusion, called anomalous diffusion, have been reported in some experimental studies. Such deviations can be caused by different factors such as the viscous state of the fluid, the fractal nature of the porous media and the pressure pulse in the system. In this work, we present explicit and implicit numerical solutions to the anomalous diffusion of single-phase fluids in heterogeneous reservoirs. An analytical solution is used to validate the numerical solution to the simple homogeneous case. The conventional wellbore flow model is modified to account for anomalous behavior. Example applications are used to show the behavior of wellbore and wellblock pressures during the single-phase anomalous flow of fluids in the reservoirs considered.
An implicit numerical scheme for the simulation of internal viscous flows on unstructured grids
NASA Technical Reports Server (NTRS)
Jorgenson, Philip C. E.; Pletcher, Richard H.
1994-01-01
The Navier-Stokes equations are solved numerically for two-dimensional steady viscous laminar flows. The grids are generated based on the method of Delaunay triangulation. A finite-volume approach is used to discretize the conservation law form of the compressible flow equations written in terms of primitive variables. A preconditioning matrix is added to the equations so that low Mach number flows can be solved economically. The equations are time marched using either an implicit Gauss-Seidel iterative procedure or a solver based on a conjugate gradient like method. A four color scheme is employed to vectorize the block Gauss-Seidel relaxation procedure. This increases the memory requirements minimally and decreases the computer time spent solving the resulting system of equations substantially. A factor of 7.6 speed up in the matrix solver is typical for the viscous equations. Numerical results are obtained for inviscid flow over a bump in a channel at subsonic and transonic conditions for validation with structured solvers. Viscous results are computed for developing flow in a channel, a symmetric sudden expansion, periodic tandem cylinders in a cross-flow, and a four-port valve. Comparisons are made with available results obtained by other investigators.
NASA Technical Reports Server (NTRS)
Ellison, Donald; Conway, Bruce; Englander, Jacob
2015-01-01
A significant body of work exists showing that providing a nonlinear programming (NLP) solver with expressions for the problem constraint gradient substantially increases the speed of program execution and can also improve the robustness of convergence, especially for local optimizers. Calculation of these derivatives is often accomplished through the computation of spacecraft's state transition matrix (STM). If the two-body gravitational model is employed as is often done in the context of preliminary design, closed form expressions for these derivatives may be provided. If a high fidelity dynamics model, that might include perturbing forces such as the gravitational effect from multiple third bodies and solar radiation pressure is used then these STM's must be computed numerically. We present a method for the power hardward model and a full ephemeris model. An adaptive-step embedded eight order Dormand-Prince numerical integrator is discussed and a method for the computation of the time of flight derivatives in this framework is presented. The use of these numerically calculated derivatieves offer a substantial improvement over finite differencing in the context of a global optimizer. Specifically the inclusion of these STM's into the low thrust missiondesign tool chain in use at NASA Goddard Spaceflight Center allows for an increased preliminary mission design cadence.
NASA Astrophysics Data System (ADS)
Bernuzzi, Sebastiano; Dietrich, Tim
2016-09-01
The theoretical modeling of gravitational waveforms from binary neutron star mergers requires precise numerical relativity simulations. Assessing convergence of the numerical data and building the error budget is currently challenging due to the low accuracy of general-relativistic hydrodynamics schemes and to the grid resolutions that can be employed in (3 +1 )-dimensional simulations. In this work, we explore the use of high-order weighted-essentially-nonoscillatory (WENO) schemes in neutron star merger simulations and investigate the accuracy of the waveforms obtained with such methods. We find that high-order WENO schemes can be robustly employed for simulating the inspiral-merger phase and they significantly improve the assessment of the waveform's error budget with respect to finite-volume methods. High-order WENO schemes can be thus efficiently used for high-quality waveform production, and in future large-scale investigations of the binary parameter space.
A New Cell-Centered Implicit Numerical Scheme for Ions in the 2-D Axisymmetric Code Hall2de
NASA Technical Reports Server (NTRS)
Lopez Ortega, Alejandro; Mikellides, Ioannis G.
2014-01-01
We present a new algorithm in the Hall2De code to simulate the ion hydrodynamics in the acceleration channel and near plume regions of Hall-effect thrusters. This implementation constitutes an upgrade of the capabilities built in the Hall2De code. The equations of mass conservation and momentum for unmagnetized ions are solved using a conservative, finite-volume, cell-centered scheme on a magnetic-field-aligned grid. Major computational savings are achieved by making use of an implicit predictor/multi-corrector algorithm for time evolution. Inaccuracies in the prediction of the motion of low-energy ions in the near plume in hydrodynamics approaches are addressed by implementing a multi-fluid algorithm that tracks ions of different energies separately. A wide range of comparisons with measurements are performed to validate the new ion algorithms. Several numerical experiments with the location and value of the anomalous collision frequency are also presented. Differences in the plasma properties in the near-plume between the single fluid and multi-fluid approaches are discussed. We complete our validation by comparing predicted erosion rates at the channel walls of the thruster with measurements. Erosion rates predicted by the plasma properties obtained from simulations replicate accurately measured rates of erosion within the uncertainty range of the sputtering models employed.
Angstmann, C.N.; Donnelly, I.C.; Henry, B.I.; Jacobs, B.A.; Langlands, T.A.M.; Nichols, J.A.
2016-02-15
We have introduced a new explicit numerical method, based on a discrete stochastic process, for solving a class of fractional partial differential equations that model reaction subdiffusion. The scheme is derived from the master equations for the evolution of the probability density of a sum of discrete time random walks. We show that the diffusion limit of the master equations recovers the fractional partial differential equation of interest. This limiting procedure guarantees the consistency of the numerical scheme. The positivity of the solution and stability results are simply obtained, provided that the underlying process is well posed. We also show that the method can be applied to standard reaction–diffusion equations. This work highlights the broader applicability of using discrete stochastic processes to provide numerical schemes for partial differential equations, including fractional partial differential equations.
NASA Astrophysics Data System (ADS)
Huerta, Eliu; Agarwal, Bhanu; Chua, Alvin; George, Daniel; Haas, Roland; Hinder, Ian; Kumar, Prayush; Moore, Christopher; Pfeiffer, Harald
2017-01-01
We recently constructed an inspiral-merger-ringdown (IMR) waveform model to describe the dynamical evolution of compact binaries on eccentric orbits, and used this model to constrain the eccentricity with which the gravitational wave transients currently detected by LIGO could be effectively recovered with banks of quasi-circular templates. We now present the second generation of this model, which is calibrated using a large catalog of eccentric numerical relativity simulations. We discuss the new features of this model, and show that its enhance accuracy makes it a powerful tool to detect eccentric signals with LIGO.
NUMERICAL COMPUTATIONS OF CO-EXISTING SUPER-CRITICAL AND SUB-CRITICAL FLOWS BASED UPON CRD SCHEMES
NASA Astrophysics Data System (ADS)
Horie, Katsuya; Okamura, Seiji; Kobayashi, Yusuke; Hyodo, Makoto; Hida, Yoshihisa; Nishimoto, Naoshi; Mori, Akio
Stream flows in steep gradient bed form complicating flow configurations, where co-exist super-critical and sub-critical flows. Computing numerically such flows are the key to successful river management. This study applied CRD schemes to 1D and 2D stream flow computations and proposed genuine ways to eliminate expansion shock waves. Through various cases of computing stream flows conducted, CRD schemes showed that i) conservativeness of discharge and accuracy of four significant figures are ensured, ii) artificial viscosity is not explicitly used for computational stabilization, and thus iii) 1D and 2D computations based upon CRD schemes are applicable to evaluating complicating stream flows for river management.
Jaeger, J.
1983-07-14
Correcting the dispersion function in the SLC north arc it turned out that backleg-windings (BLW) acting horizontally as well as BLW acting vertically have to be used. In the latter case the question arose what is the best representation of a defocusing magnet with excited BLW acting in the vertical plane for the computer code TURTLE. Two different schemes, the 14.-scheme and the 20.-scheme were studied and the TURTLE output for one ray through such a magnet compared with the numerical solution of the equation of motion; only terms of first order have been taken into account.
NASA Technical Reports Server (NTRS)
Przekwas, A. J.; Athavale, M. M.; Hendricks, R. C.; Steinetz, B. M.
2006-01-01
Detailed information of the flow-fields in the secondary flowpaths and their interaction with the primary flows in gas turbine engines is necessary for successful designs with optimized secondary flow streams. Present work is focused on the development of a simulation methodology for coupled time-accurate solutions of the two flowpaths. The secondary flowstream is treated using SCISEAL, an unstructured adaptive Cartesian grid code developed for secondary flows and seals, while the mainpath flow is solved using TURBO, a density based code with capability of resolving rotor-stator interaction in multi-stage machines. An interface is being tested that links the two codes at the rim seal to allow data exchange between the two codes for parallel, coupled execution. A description of the coupling methodology and the current status of the interface development is presented. Representative steady-state solutions of the secondary flow in the UTRC HP Rig disc cavity are also presented.
Dai, William W. Scannapieco, Anthony J.
2015-11-01
A set of numerical schemes is developed for two- and three-dimensional time-dependent 3-T radiation diffusion equations in systems involving multi-materials. To resolve sub-cell structure, interface reconstruction is implemented within any cell that has more than one material. Therefore, the system of 3-T radiation diffusion equations is solved on two- and three-dimensional polyhedral meshes. The focus of the development is on the fully coupling between radiation and material, the treatment of nonlinearity in the equations, i.e., in the diffusion terms and source terms, treatment of the discontinuity across cell interfaces in material properties, the formulations for both transient and steady states, the property for large time steps, and second order accuracy in both space and time. The discontinuity of material properties between different materials is correctly treated based on the governing physics principle for general polyhedral meshes and full nonlinearity. The treatment is exact for arbitrarily strong discontinuity. The scheme is fully nonlinear for the full nonlinearity in the 3-T diffusion equations. Three temperatures are fully coupled and are updated simultaneously. The scheme is general in two and three dimensions on general polyhedral meshes. The features of the scheme are demonstrated through numerical examples for transient problems and steady states. The effects of some simplifications of numerical schemes are also shown through numerical examples, such as linearization, simple average of diffusion coefficient, and approximate treatment for the coupling between radiation and material.
The use of experimental bending tests to more accurate numerical description of TBC damage process
NASA Astrophysics Data System (ADS)
Sadowski, T.; Golewski, P.
2016-04-01
Thermal barrier coatings (TBCs) have been extensively used in aircraft engines to protect critical engine parts such as blades and combustion chambers, which are exposed to high temperatures and corrosive environment. The blades of turbine engines are additionally exposed to high mechanical loads. These loads are created by the high rotational speed of the rotor (30 000 rot/min), causing the tensile and bending stresses. Therefore, experimental testing of coated samples is necessary in order to determine strength properties of TBCs. Beam samples with dimensions 50×10×2 mm were used in those studies. The TBC system consisted of 150 μm thick bond coat (NiCoCrAlY) and 300 μm thick top coat (YSZ) made by APS (air plasma spray) process. Samples were tested by three-point bending test with various loads. After bending tests, the samples were subjected to microscopic observation to determine the quantity of cracks and their depth. The above mentioned results were used to build numerical model and calibrate material data in Abaqus program. Brittle cracking damage model was applied for the TBC layer, which allows to remove elements after reaching criterion. Surface based cohesive behavior was used to model the delamination which may occur at the boundary between bond coat and top coat.
Fast and accurate numerical method for predicting gas chromatography retention time.
Claumann, Carlos Alberto; Wüst Zibetti, André; Bolzan, Ariovaldo; Machado, Ricardo A F; Pinto, Leonel Teixeira
2015-08-07
Predictive modeling for gas chromatography compound retention depends on the retention factor (ki) and on the flow of the mobile phase. Thus, different approaches for determining an analyte ki in column chromatography have been developed. The main one is based on the thermodynamic properties of the component and on the characteristics of the stationary phase. These models can be used to estimate the parameters and to optimize the programming of temperatures, in gas chromatography, for the separation of compounds. Different authors have proposed the use of numerical methods for solving these models, but these methods demand greater computational time. Hence, a new method for solving the predictive modeling of analyte retention time is presented. This algorithm is an alternative to traditional methods because it transforms its attainments into root determination problems within defined intervals. The proposed approach allows for tr calculation, with accuracy determined by the user of the methods, and significant reductions in computational time; it can also be used to evaluate the performance of other prediction methods.
NASA Astrophysics Data System (ADS)
Amano, Takanobu
2016-11-01
A new multidimensional simulation code for relativistic two-fluid electrodynamics (RTFED) is described. The basic equations consist of the full set of Maxwell’s equations coupled with relativistic hydrodynamic equations for separate two charged fluids, representing the dynamics of either an electron-positron or an electron-proton plasma. It can be recognized as an extension of conventional relativistic magnetohydrodynamics (RMHD). Finite resistivity may be introduced as a friction between the two species, which reduces to resistive RMHD in the long wavelength limit without suffering from a singularity at infinite conductivity. A numerical scheme based on HLL (Harten-Lax-Van Leer) Riemann solver is proposed that exactly preserves the two divergence constraints for Maxwell’s equations simultaneously. Several benchmark problems demonstrate that it is capable of describing RMHD shocks/discontinuities at long wavelength limit, as well as dispersive characteristics due to the two-fluid effect appearing at small scales. This shows that the RTFED model is a promising tool for high energy astrophysics application.
Gas Evolution Dynamics in Godunov-Type Schemes and Analysis of Numerical Shock Instability
NASA Technical Reports Server (NTRS)
Xu, Kun
1999-01-01
In this paper we are going to study the gas evolution dynamics of the exact and approximate Riemann solvers, e.g., the Flux Vector Splitting (FVS) and the Flux Difference Splitting (FDS) schemes. Since the FVS scheme and the Kinetic Flux Vector Splitting (KFVS) scheme have the same physical mechanism and similar flux function, based on the analysis of the discretized KFVS scheme the weakness and advantage of the FVS scheme are closely observed. The subtle dissipative mechanism of the Godunov method in the 2D case is also analyzed, and the physical reason for shock instability, i.e., carbuncle phenomena and odd-even decoupling, is presented.
NASA Astrophysics Data System (ADS)
Sánchez Burillo, Guillermo; Beguería, Santiago; Latorre, Borja; Burguete, Javier
2014-05-01
Debris flows, snow and rock avalanches, mud and earth flows are often modeled by means of a particular realization of the so called shallow water equations (SWE). Indeed, a number of simulation models have been already developed [1], [2], [3], [4], [5], [6], [7]. Debris flow equations differ from shallow water equations in two main aspects. These are (a) strong bed gradient and (b) rheology friction terms that differ from the traditional SWE. A systematic analysis of the numerical solution of the hyperbolic system of equations rising from the shallow water equations with different rheological laws has not been done. Despite great efforts have been done to deal with friction expressions common in hydraulics (such as Manning friction), landslide rheologies are characterized by more complicated expressions that may deal to unphysical solutions if not treated carefully. In this work, a software that solves the time evolution of sliding masses over complex bed configurations is presented. The set of non- linear equations is treated by means of a first order upwind explicit scheme, and the friction contribution to the dynamics is treated with a suited numerical scheme [8]. In addition, the software incorporates various rheological models to accommodate for different flow types, such as the Voellmy frictional model [9] for rock and debris avalanches, or the Herschley-Bulkley model for debris and mud flows. The aim of this contribution is to release this code as a free, open source tool for the simulation of mass movements, and to encourage the scientific community to make use of it. The code uses as input data the friction coefficients and two input files: the topography of the bed and the initial (pre-failure) position of the sliding mass. In addition, another file with the final (post-event) position of the sliding mass, if desired, can be introduced to be compared with the simulation obtained result. If the deposited mass is given, an error estimation is computed by
NASA Astrophysics Data System (ADS)
Yang, Xiaofeng
2016-12-01
In this paper, we develop a series of efficient numerical schemes to solve the phase field model for homopolymer blends. The governing system is derived from the energetic variational approach of a total free energy, that consists of a nonlinear logarithmic Flory-Huggins potential, and a gradient entropy with a concentration-dependent de-Gennes type coefficient. The main challenging issue to solve this kind of models numerically is about the time marching problem, i.e., how to develop suitable temporal discretizations for the nonlinear terms in order to preserve the energy stability at the discrete level. We solve this issue in this paper, by developing the first and second order temporal approximation schemes based on the "Invariant Energy Quadratization" method, where all nonlinear terms are treated semi-explicitly. Consequently, the resulting numerical schemes lead to a symmetric positive definite linear system to be solved at each time step. The unconditional energy stabilities are further proved. Various numerical simulations of 2D and 3D are presented to demonstrate the stability and the accuracy of the proposed schemes.
NASA Astrophysics Data System (ADS)
Rybynok, V. O.; Kyriacou, P. A.
2007-10-01
Diabetes is one of the biggest health challenges of the 21st century. The obesity epidemic, sedentary lifestyles and an ageing population mean prevalence of the condition is currently doubling every generation. Diabetes is associated with serious chronic ill health, disability and premature mortality. Long-term complications including heart disease, stroke, blindness, kidney disease and amputations, make the greatest contribution to the costs of diabetes care. Many of these long-term effects could be avoided with earlier, more effective monitoring and treatment. Currently, blood glucose can only be monitored through the use of invasive techniques. To date there is no widely accepted and readily available non-invasive monitoring technique to measure blood glucose despite the many attempts. This paper challenges one of the most difficult non-invasive monitoring techniques, that of blood glucose, and proposes a new novel approach that will enable the accurate, and calibration free estimation of glucose concentration in blood. This approach is based on spectroscopic techniques and a new adaptive modelling scheme. The theoretical implementation and the effectiveness of the adaptive modelling scheme for this application has been described and a detailed mathematical evaluation has been employed to prove that such a scheme has the capability of extracting accurately the concentration of glucose from a complex biological media.
McMillan, K; Bostani, M; McNitt-Gray, M; McCollough, C
2015-06-15
Purpose: Most patient models used in Monte Carlo-based estimates of CT dose, including computational phantoms, do not have tube current modulation (TCM) data associated with them. While not a problem for fixed tube current simulations, this is a limitation when modeling the effects of TCM. Therefore, the purpose of this work was to develop and validate methods to estimate TCM schemes for any voxelized patient model. Methods: For 10 patients who received clinically-indicated chest (n=5) and abdomen/pelvis (n=5) scans on a Siemens CT scanner, both CT localizer radiograph (“topogram”) and image data were collected. Methods were devised to estimate the complete x-y-z TCM scheme using patient attenuation data: (a) available in the Siemens CT localizer radiograph/topogram itself (“actual-topo”) and (b) from a simulated topogram (“sim-topo”) derived from a projection of the image data. For comparison, the actual TCM scheme was extracted from the projection data of each patient. For validation, Monte Carlo simulations were performed using each TCM scheme to estimate dose to the lungs (chest scans) and liver (abdomen/pelvis scans). Organ doses from simulations using the actual TCM were compared to those using each of the estimated TCM methods (“actual-topo” and “sim-topo”). Results: For chest scans, the average differences between doses estimated using actual TCM schemes and estimated TCM schemes (“actual-topo” and “sim-topo”) were 3.70% and 4.98%, respectively. For abdomen/pelvis scans, the average differences were 5.55% and 6.97%, respectively. Conclusion: Strong agreement between doses estimated using actual and estimated TCM schemes validates the methods for simulating Siemens topograms and converting attenuation data into TCM schemes. This indicates that the methods developed in this work can be used to accurately estimate TCM schemes for any patient model or computational phantom, whether a CT localizer radiograph is available or not
Kawai, Soshi; Terashima, Hiroshi; Negishi, Hideyo
2015-11-01
This paper addresses issues in high-fidelity numerical simulations of transcritical turbulent flows at supercritical pressure. The proposed strategy builds on a tabulated look-up table method based on REFPROP database for an accurate estimation of non-linear behaviors of thermodynamic and fluid transport properties at the transcritical conditions. Based on the look-up table method we propose a numerical method that satisfies high-order spatial accuracy, spurious-oscillation-free property, and capability of capturing the abrupt variation in thermodynamic properties across the transcritical contact surface. The method introduces artificial mass diffusivity to the continuity and momentum equations in a physically-consistent manner in order to capture the steep transcritical thermodynamic variations robustly while maintaining spurious-oscillation-free property in the velocity field. The pressure evolution equation is derived from the full compressible Navier–Stokes equations and solved instead of solving the total energy equation to achieve the spurious pressure oscillation free property with an arbitrary equation of state including the present look-up table method. Flow problems with and without physical diffusion are employed for the numerical tests to validate the robustness, accuracy, and consistency of the proposed approach.
A numerical scheme for modelling reacting flow with detailed chemistry and transport.
Knio, Omar M.; Najm, Habib N.; Paul, Phillip H.
2003-09-01
An efficient projection scheme is developed for the simulation of reacting flow with detailed kinetics and transport. The scheme is based on a zero-Mach-number formulation of the compressible conservation equations for an ideal gas mixture. It is a modified version of the stiff operator-split scheme developed by Knio, Najm & Wyckoff (1999, J. Comput. Phys. 154, 428). Similar to its predecessor, the new scheme relies on Strang splitting of the discrete evolution equations, where diffusion is integrated in two half steps that are symmetrically distributed around a single stiff step for the reaction source terms. The diffusive half-step is integrated using an explicit single-step, multistage, Runge-Kutta-Chebyshev (RKC) method, which replaces the explicit, multi-step, fractional sub-step approach used in the previous formulation. This modification maintains the overall second-order convergence properties of the scheme and enhances the efficiency of the computations by taking advantage of the extended real-stability region of the RKC scheme. Two additional efficiency-enhancements are also explored, based on an extrapolation procedure for the transport coefficients and on the use of approximate Jacobian data evaluated on a coarse mesh. By including these enhancement schemes, performance tests using 2D computations with a detailed C{sub 1}C{sub 2} methane-air mechanism and a detailed mixture-averaged transport model indicate that speedup factors of about 15 are achieved over the previous split-stiff scheme.
NASA Astrophysics Data System (ADS)
Xiao, Lin; Zhang, Yunong
2016-03-01
For avoiding obstacles and joint physical constraints of robot manipulators, this paper proposes and investigates a novel obstacle avoidance scheme (termed the acceleration-level obstacle-avoidance scheme). The scheme is based on a new obstacle-avoidance criterion that is designed by using the gradient neural network approach for the first time. In addition, joint physical constraints such as joint-angle limits, joint-velocity limits and joint-acceleration limits are incorporated into such a scheme, which is further reformulated as a quadratic programming (QP). Two important 'bridge' theorems are established so that such a QP can be converted equivalently to a linear variational inequality and then equivalently to a piecewise-linear projection equation (PLPE). A numerical algorithm based on a PLPE is thus developed and applied for an online solution of the resultant QP. Four path-tracking tasks based on the PA10 robot in the presence of point and window-shaped obstacles demonstrate and verify the effectiveness and accuracy of the acceleration-level obstacle-avoidance scheme. Besides, the comparisons between the non-obstacle-avoidance and obstacle-avoidance results further validate the superiority of the proposed scheme.
NASA Technical Reports Server (NTRS)
Mickens, Ronald E.
1996-01-01
A large class of physical phenomena can be modeled by evolution and wave type Partial Differential Equations (PDE). Few of these equations have known explicit exact solutions. Finite-difference techniques are a popular method for constructing discrete representations of these equations for the purpose of numerical integration. However, the solutions to the difference equations often contain so called numerical instabilities; these are solutions to the difference equations that do not correspond to any solution of the PDE's. For explicit schemes, the elimination of this behavior requires functional relations to exist between the time and space steps-sizes. We show that such functional relations can be obtained for certain PDE's by use of a positivity condition. The PDE's studied are the Burgers, Fisher, and linearized Euler equations.
Numerical solution of 3D Navier-Stokes equations with upwind implicit schemes
NASA Technical Reports Server (NTRS)
Marx, Yves P.
1990-01-01
An upwind MUSCL type implicit scheme for the three-dimensional Navier-Stokes equations is presented. Comparison between different approximate Riemann solvers (Roe and Osher) are performed and the influence of the reconstructions schemes on the accuracy of the solution as well as on the convergence of the method is studied. A new limiter is introduced in order to remove the problems usually associated with non-linear upwind schemes. The implementation of a diagonal upwind implicit operator for the three-dimensional Navier-Stokes equations is also discussed. Finally the turbulence modeling is assessed. Good prediction of separated flows are demonstrated if a non-equilibrium turbulence model is used.
1981-07-01
of Defence Farnborough, Hants ""� 31 024 -L~~caJLj UDC 517.956.224 : 517.962.2 519.6 : 518.1 : 517.933 ROYAL AIRCRAFT ESTABLISHMENT Technical...row, H is diagonally dominant. 26 Scheme III If Igj > 2N Scheme II will not be satisfactory. However, now write equation (3-9) in the form 4 + gtx
A hybrid numerical prediction scheme for solar radiation estimation in un-gauged catchments.
NASA Astrophysics Data System (ADS)
Shamim, M. A.; Bray, M.; Ishak, A. M.; Remesan, R.; Han, D.
2009-09-01
The importance of solar radiation on earth's surface is depicted in its wide range of applications in the fields of meteorology, agricultural sciences, engineering, hydrology, crop water requirements, climatic changes and energy assessment. It is quite random in nature as it has to go through different processes of assimilation and dispersion while on its way to earth. Compared to other meteorological parameters, solar radiation is quite infrequently measured, for example, the worldwide ratio of stations collecting solar radiation to those collecting temperature is 1:500 (Badescu, 2008). Researchers, therefore, have to rely on indirect techniques of estimation that include nonlinear models, artificial intelligence (e.g. neural networks), remote sensing and numerical weather predictions (NWP). This study proposes a hybrid numerical prediction scheme for solar radiation estimation in un-gauged catchments. It uses the PSU/NCAR's Mesoscale Modelling system (MM5) (Grell et al., 1995) to parameterise the cloud effect on extraterrestrial radiation by dividing the atmosphere into four layers of very high (6-12 km), high (3-6 km), medium (1.5-3) and low (0-1.5) altitudes from earth. It is believed that various cloud forms exist within each of these layers. An hourly time series of upper air pressure and relative humidity data sets corresponding to all of these layers is determined for the Brue catchment, southwest UK, using MM5. Cloud Index (CI) was then determined using (Yang and Koike, 2002): 1 p?bi [ (Rh - Rh )] ci =------- max 0.0,---------cri dp pbi - ptipti (1- Rhcri) where, pbi and pti represent the air pressure at the top and bottom of each layer and Rhcri is the critical value of relative humidity at which a certain cloud type is formed. Output from a global clear sky solar radiation model (MRM v-5) (Kambezidis and Psiloglu, 2008) is used along with meteorological datasets of temperature and precipitation and astronomical information. The analysis is aided by the
NASA Astrophysics Data System (ADS)
Lefrancois, Daniel; Rehn, Dirk R.; Dreuw, Andreas
2016-08-01
For the calculation of adiabatic singlet-triplet gaps (STG) in diradicaloid systems the spin-flip (SF) variant of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator in third order perturbation theory (SF-ADC(3)) has been applied. Due to the methodology of the SF approach the singlet and triplet states are treated on an equal footing since they are part of the same determinant subspace. This leads to a systematically more accurate description of, e.g., diradicaloid systems than with the corresponding non-SF single-reference methods. Furthermore, using analytical excited state gradients at ADC(3) level, geometry optimizations of the singlet and triplet states were performed leading to a fully consistent description of the systems, leading to only small errors in the calculated STGs ranging between 0.6 and 2.4 kcal/mol with respect to experimental references.
Lefrancois, Daniel; Rehn, Dirk R; Dreuw, Andreas
2016-08-28
For the calculation of adiabatic singlet-triplet gaps (STG) in diradicaloid systems the spin-flip (SF) variant of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator in third order perturbation theory (SF-ADC(3)) has been applied. Due to the methodology of the SF approach the singlet and triplet states are treated on an equal footing since they are part of the same determinant subspace. This leads to a systematically more accurate description of, e.g., diradicaloid systems than with the corresponding non-SF single-reference methods. Furthermore, using analytical excited state gradients at ADC(3) level, geometry optimizations of the singlet and triplet states were performed leading to a fully consistent description of the systems, leading to only small errors in the calculated STGs ranging between 0.6 and 2.4 kcal/mol with respect to experimental references.
Ryzhakov, G. V.
2014-11-12
In the paper, the problem of diffraction on thin ideally conductive screens is reduced to vector hypersingular integral equation with integral treated in the sense of finite Hadamard value. An numerical scheme to solve the equation is introduced. The scheme is based on piecewise approximation of unknown function. The advantage of the scheme is that integral of singular part is reduced to contour integral which can be analytically calculated so numerical calculation are significantly accelerated. Several examples of resulting numerical experiments are given in comparison with known theoretical and experimental data.
Role of numerical scheme choice on the results of mathematical modeling of combustion and detonation
NASA Astrophysics Data System (ADS)
Yakovenko, I. S.; Kiverin, A. D.; Pinevich, S. G.; Ivanov, M. F.
2016-11-01
The present study discusses capabilities of dissipation-free CABARET numerical method application to unsteady reactive gasdynamic flows modeling. In framework of present research the method was adopted for reactive flows governed by real gas equation of state and applied for several typical problems of unsteady gas dynamics and combustion modeling such as ignition and detonation initiation by localized energy sources. Solutions were thoroughly analyzed and compared with that derived by using of the modified Euler-Lagrange method of “coarse” particles. Obtained results allowed us to distinguish range of phenomena where artificial effects of numerical approach may counterfeit their physical nature and to develop guidelines for numerical approach selection appropriate for unsteady reactive gasdynamic flows numerical modeling.
NASA Astrophysics Data System (ADS)
Vanzo, Davide; Siviglia, Annunziato; Toro, Eleuterio F.
2016-09-01
The purpose of this paper is twofold. First, using the Cattaneo's relaxation approach, we reformulate the system of governing equations for the pollutant transport by shallow water flows over non-flat topography and anisotropic diffusion as hyperbolic balance laws with stiff source terms. The proposed relaxation system circumvents the infinite wave speed paradox which is inherent in standard advection-diffusion models. This turns out to give a larger stability range for the choice of the time step. Second, following a flux splitting approach, we derive a novel numerical method to discretise the resulting problem. In particular, we propose a new flux splitting and study the associated two systems of differential equations, called the ;hydrodynamic; and the ;relaxed diffusive; system, respectively. For the presented splitting we analyse the resulting two systems of differential equations and propose two discretisation schemes of the Godunov-type. These schemes are simple to implement, robust, accurate and fast when compared with existing methods. The resulting method is implemented on unstructured meshes and is systematically assessed for accuracy, robustness and efficiency on a carefully selected suite of test problems including non-flat topography and wetting and drying problems. Formal second order accuracy is assessed through convergence rates studies.
Comparison of Numerical Schemes for a Realistic Computational Aeroacoustics Benchmark Problem
NASA Technical Reports Server (NTRS)
Hixon, R.; Wu, J.; Nallasamy, M.; Sawyer, S.; Dyson, R.
2004-01-01
In this work, a nonlinear structured-multiblock CAA solver, the NASA GRC BASS code, will be tested on a realistic CAA benchmark problem. The purpose of this test is to ascertain what effect the high-accuracy solution methods used in CAA have on a realistic test problem, where both the mean flow and the unsteady waves are simultaneously computed on a fully curvilinear grid from a commercial grid generator. The proposed test will compare the solutions obtained using several finite-difference methods on identical grids to determine whether high-accuracy schemes have advantages for this benchmark problem.
A Numerical Scheme for Computing Stable and Unstable Manifolds in Nonautonomous Flows
NASA Astrophysics Data System (ADS)
Balasuriya, Sanjeeva
2016-12-01
There are many methods for computing stable and unstable manifolds in autonomous flows. When the flow is nonautonomous, however, difficulties arise since the hyperbolic trajectory to which these manifolds are anchored, and the local manifold emanation directions, are changing with time. This article utilizes recent results which approximate the time-variation of both these quantities to design a numerical algorithm which can obtain high resolution in global nonautonomous stable and unstable manifolds. In particular, good numerical approximation is possible locally near the anchor trajectory. Nonautonomous manifolds are computed for two examples: a Rossby wave situation which is highly chaotic, and a nonautonomus (time-aperiodic) Duffing oscillator model in which the manifold emanation directions are rapidly changing. The numerical method is validated and analyzed in these cases using finite-time Lyapunov exponent fields and exactly known nonautonomous manifolds.
NASA Astrophysics Data System (ADS)
Alahyane, M.; Hakim, A.; Raghay, S.
2017-01-01
In this work, we present a numerical study of a finite volume scheme based on SIMPLE algorithm for incompressible Navier-Stokes problem. However, this algorithm still not applicable to a large category of problems this could be understood from its stability and convergence, which depends strongly on the parameter of relaxation, in some cases this algorithm could have an unexpected behavior. Therefore, in our work we focus on this particular point to overcome this respected choice of relaxation parameter and to find a sufficient condition for the convergence of the algorithm in general cases. This will be followed by numerical applications in image processing variety of fluid flow problems described by incompressible Navier-Stokes equations.
Generation of a composite grid for turbine flows and consideration of a numerical scheme
NASA Technical Reports Server (NTRS)
Choo, Y.; Yoon, S.; Reno, C.
1986-01-01
A composite grid was generated for flows in turbines. It consisted of the C-grid (or O-grid) in the immediate vicinity of the blade and the H-grid in the middle of the blade passage between the C-grids and in the upstream region. This new composite grid provides better smoothness, resolution, and orthogonality than any single grid for a typical turbine blade with a large camber and rounded leading and trailing edges. The C-H (or O-H) composite grid has an unusual grid point that is connected to more than four neighboring nodes in two dimensions (more than six neighboring nodes in three dimensions). A finite-volume lower-upper (LU) implicit scheme to be used on this grid poses no problem and requires no special treatment because each interior cell of this composite grid has only four neighboring cells in two dimensions (six cells in three dimensions). The LU implicit scheme was demonstrated to be efficient and robust for external flows in a broad flow regime and can be easily applied to internal flows and extended from two to three dimensions.
NASA Astrophysics Data System (ADS)
Strumik, Marek; Stasiewicz, Krzysztof
2017-02-01
We present a numerical solver for plasma dynamics simulations in Hall magnetohydrodynamic (HMHD) approximation in one, two and three dimensions. We consider both isotropic and anisotropic thermal pressure cases, where a general gyrotropic approximation is used. Both explicit energy conservation equation and general polytropic state equations are considered. The numerical scheme incorporates second-order Runge-Kutta advancing in time and Kurganov-Tadmor scheme with van Leer flux limiter for the approximation of fluxes. A flux-interpolated constrained-transport approach is used to preserve solenoidal magnetic field in the simulations. The implemented code is validated using several test problems previously described in the literature. Additionally, we propose a new validation method for HMHD codes based on solitary waves that provides a possibility of quantitative rigorous testing in nonlinear (large amplitude) regime as an extension to standard tests using small-amplitude whistler waves. Quantitative tests of accuracy and performance of the implemented code show the fidelity of the proposed approach.
Wang, Peng; Wang, Lian-Ping; Guo, Zhaoli
2016-10-01
The main objective of this work is to perform a detailed comparison of the lattice Boltzmann equation (LBE) and the recently developed discrete unified gas-kinetic scheme (DUGKS) methods for direct numerical simulation (DNS) of the decaying homogeneous isotropic turbulence and the Kida vortex flow in a periodic box. The flow fields and key statistical quantities computed by both methods are compared with those from the pseudospectral method at both low and moderate Reynolds numbers. The results show that the LBE is more accurate and efficient than the DUGKS, but the latter has a superior numerical stability, particularly for high Reynolds number flows. In addition, we conclude that the DUGKS can adequately resolve the flow when the minimum spatial resolution parameter k_{max}η>3, where k_{max} is the maximum resolved wave number and η is the flow Kolmogorov length. This resolution requirement can be contrasted with the requirements of k_{max}η>1 for the pseudospectral method and k_{max}η>2 for the LBE. It should be emphasized that although more validations should be conducted before the DUGKS can be called a viable tool for DNS of turbulent flows, the present work contributes to the overall assessment of the DUGKS, and it provides a basis for further applications of DUGKS in studying the physics of turbulent flows.
A one-parameter family of difference schemes for the numerical solution of the Keplerian problem
NASA Astrophysics Data System (ADS)
Elenin, G. G.; Elenina, T. G.
2015-08-01
A family of numerical methods for solving the Keplerian problem is proposed. All the methods in this family are symplectic. They preserve the angular momentum, the total energy, the components of the Laplace-Runge-Lenz vector, and the phase volume. The underlying idea is an exact linearization of the problem based on the Levi-Civita transformation and two-stage symmetricsymplectic Runge-Kutta methods.
NASA Astrophysics Data System (ADS)
Hu, Yuze; Nie, Jinsong; Wang, Haitao; Wang, Lei; Dou, Xianan
2016-10-01
The plasma channel evolution tendencies are studied numerically with the change of initial conditions based on the Nonlinear Schrödinger Equation. Then, the accuracy of an optical scheme to detect the plasma density inside the filaments is certified numerically. A Gaussian beam with pulse width 50fs, radius 2.5mm ranging energy from 10mJ to 50mJ at interval of 10mJ are simulated to yield plasma channel. With the augment of energy, firstly, the beginning position of plasma channel tend to be drew back gradually whereas the end position of the channel can be putted forward in a gradient form instead of continuously. Secondly, the number of peaks add one each time when the energy increase 10mJ. Lastly, the radius of plasma channel barely changes with initial energy up from 10mJ to 50mJ. On the other hand, plasma channel produced by a Gaussian beam with pulse width 50fs, energy 50mJ ranging the radius from 2.5mm to 10mm at interval of 2.5mm are simulated. With the increase of initial beam waist, the plasma channel length becomes shorter. The channel becomes broader and broader whereas the length of the channel becomes shorter. In order to verify the rationality of the approximation, Nornaraki detecting scheme through interference of the probe laser has been tested with the numerical simulation. As a consequence, the integral of refractive index along the radius direction can be replaced by the product of average refractive index and plasma channel diameter.
A discontinuous wave-in-cell numerical scheme for hyperbolic conservation laws
NASA Astrophysics Data System (ADS)
Thompson, Richard J.; Moeller, Trevor
2015-10-01
A new Riemann solver scheme for hyperbolic systems is introduced. The method consists of a discretization of the initial data into an approximate representation by discrete, discontinuous waves. Instead of calculating an intercell flux based on these waves, the discontinuous waves are propagated directly. Since the sum total of all discontinuous waves represents an extension of the linear Riemann problem, the solution is determined straightforwardly. For nonlinear systems, each timestep is considered a separate linear Riemann problem, and the projected waves are weighted to a background grid. This method is strikingly similar to the particle-in-cell approach, except that discontinuous waves are pushed around instead of macroparticles. The method is applied to Maxwell's equations and the equations of inviscid gasdynamics. For linear systems, exact solutions can be achieved without dissipation, and exact transmissive boundary condition treatments are trivial to implement. For inviscid gasdynamics, the nonlinear method tended to resolve discontinuities more sharply than the Roe, HLL or HLLC methods while requiring only between 30% and 50% of the execution time under identical conditions. The approach is also extremely robust, as it works for any Courant number. In the limit that the Courant number becomes infinite, the nonlinear solution approaches the linearized solution.
Improved computational schemes for the numerical modeling of hydrothermal resources in Wyoming
Heasler, H.P.; George, J.H.; Allen, M.B.
1990-05-01
A new method, the Conjugate Gradient Squared (CGS) solution technique, is shown to be extremely effective when applied to the finite-difference solution of conductive and convective heat transfer in geologic systems. The CGS method is compared to the Successive Over/Under Relaxation schemes, a version of the Gaussian elimination method, and the Generalized Minimum Residual (GMRES) approach. The CGS procedure converges at least ten times faster than the nearest competitor. The model is applied to the Thermopolis hydrothermal system, located in northwestern Wyoming. Modeled results are compared with measured temperature-depth profiles and results from other studies. The temperature decrease from 72{degree}C to 54{degrees}C along the crest of the Thermopolis anticline is shown to result from cooling of the geothermal fluid as it moves to the southeast. Modeled results show correct general trends, however, a time-varying three-dimensional model will be needed to fully explain the effects of mixing within the aquifers along the crest of the anticline and thermal affects of surface surface topography. 29 refs., 18 figs., 2 tabs.
Yan, Zhenya
2005-06-01
First, a Q-S (lag or anticipated) synchronization of continuous-time dynamical systems is defined. Second, based on a backstepping design with one controller, a systematic, concrete, and automatic scheme is developed to investigate the Q-S (lag or anticipated) synchronization between the drive system and response system with a strict-feedback form. Two identical hyperchaotic Tamasevicius-Namajunas-Cenys(TNC) systems as well as the hyperchaotic TNC system and hyperchaotic Rossler system are chosen to illustrate the proposed scheme. Numerical simulations are used to verify the effectiveness of the proposed scheme. The scheme can also be extended to study Q-S (lag or anticipated) synchronization between other dynamical systems with strict-feedback forms. With the aid of symbolic-numeric computation, the scheme can be performed to yield automatically the scalar controller in computer.
NASA Technical Reports Server (NTRS)
Madavan, Nateri K.
1995-01-01
The work in this report was conducted at NASA Ames Research Center during the period from August 1993 to January 1995 deals with the direct numerical simulation of transitional and turbulent flow at low Mach numbers using high-order-accurate finite-difference techniques. A computation of transition to turbulence of the spatially-evolving boundary layer on a heated flat plate in the presence of relatively high freestream turbulence was performed. The geometry and flow conditions were chosen to match earlier experiments. The development of the momentum and thermal boundary layers was documented. Velocity and temperature profiles, as well as distributions of skin friction, surface heat transfer rate, Reynolds shear stress, and turbulent heat flux were shown to compare well with experiment. The numerical method used here can be applied to complex geometries in a straightforward manner.
Toivanen, Elias A; Losilla, Sergio A; Sundholm, Dage
2015-12-21
Algorithms and working expressions for a grid-based fast multipole method (GB-FMM) have been developed and implemented. The computational domain is divided into cubic subdomains, organized in a hierarchical tree. The contribution to the electrostatic interaction energies from pairs of neighboring subdomains is computed using numerical integration, whereas the contributions from further apart subdomains are obtained using multipole expansions. The multipole moments of the subdomains are obtained by numerical integration. Linear scaling is achieved by translating and summing the multipoles according to the tree structure, such that each subdomain interacts with a number of subdomains that are almost independent of the size of the system. To compute electrostatic interaction energies of neighboring subdomains, we employ an algorithm which performs efficiently on general purpose graphics processing units (GPGPU). Calculations using one CPU for the FMM part and 20 GPGPUs consisting of tens of thousands of execution threads for the numerical integration algorithm show the scalability and parallel performance of the scheme. For calculations on systems consisting of Gaussian functions (α = 1) distributed as fullerenes from C20 to C720, the total computation time and relative accuracy (ppb) are independent of the system size.
Ohsuga, Ken; Takahashi, Hiroyuki R.
2016-02-20
We develop a numerical scheme for solving the equations of fully special relativistic, radiation magnetohydrodynamics (MHDs), in which the frequency-integrated, time-dependent radiation transfer equation is solved to calculate the specific intensity. The radiation energy density, the radiation flux, and the radiation stress tensor are obtained by the angular quadrature of the intensity. In the present method, conservation of total mass, momentum, and energy of the radiation magnetofluids is guaranteed. We treat not only the isotropic scattering but also the Thomson scattering. The numerical method of MHDs is the same as that of our previous work. The advection terms are explicitly solved, and the source terms, which describe the gas–radiation interaction, are implicitly integrated. Our code is suitable for massive parallel computing. We present that our code shows reasonable results in some numerical tests for propagating radiation and radiation hydrodynamics. Particularly, the correct solution is given even in the optically very thin or moderately thin regimes, and the special relativistic effects are nicely reproduced.
Owolabi, Kolade M; Patidar, Kailash C
2016-01-01
In this paper, we consider the numerical simulations of an extended nonlinear form of Kierstead-Slobodkin reaction-transport system in one and two dimensions. We employ the popular fourth-order exponential time differencing Runge-Kutta (ETDRK4) schemes proposed by Cox and Matthew (J Comput Phys 176:430-455, 2002), that was modified by Kassam and Trefethen (SIAM J Sci Comput 26:1214-1233, 2005), for the time integration of spatially discretized partial differential equations. We demonstrate the supremacy of ETDRK4 over the existing exponential time differencing integrators that are of standard approaches and provide timings and error comparison. Numerical results obtained in this paper have granted further insight to the question 'What is the minimal size of the spatial domain so that the population persists?' posed by Kierstead and Slobodkin (J Mar Res 12:141-147, 1953), with a conclusive remark that the population size increases with the size of the domain. In attempt to examine the biological wave phenomena of the solutions, we present the numerical results in both one- and two-dimensional space, which have interesting ecological implications. Initial data and parameter values were chosen to mimic some existing patterns.
Implicit Space-Time Conservation Element and Solution Element Schemes
NASA Technical Reports Server (NTRS)
Chang, Sin-Chung; Himansu, Ananda; Wang, Xiao-Yen
1999-01-01
Artificial numerical dissipation is in important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate implicit numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The new schemes presented are two highly accurate implicit solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to convection-dominated equations with very small viscosity. The stability and consistency of the schemes are analysed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme.
PROBABILISTIC SIMULATION OF SUBSURFACE FLUID FLOW: A STUDY USING A NUMERICAL SCHEME
Buscheck, Timothy Eric
1980-03-01
There has been an increasing interest in probabilistic modeling of hydrogeologic systems. The classical approach to groundwater modeling has been deterministic in nature, where individual layers and formations are assumed to be uniformly homogeneous. Even in the case of complex heterogeneous systems, the heterogeneities describe the differences in parameter values between various layers, but not within any individual layer. In a deterministic model a single-number is assigned to each hydrogeologic parameter, given a particular scale of interest. However, physically there is no such entity as a truly uniform and homogeneous unit. Single-number representations or deterministic predictions are subject to uncertainties. The approach used in this work models such uncertainties with probabilistic parameters. The resulting statistical distributions of output variables are analyzed. A numerical algorithm, based on axiomatic principles of probability theory, performs arithmetic operations between probability distributions. Two subroutines are developed from the algorithm and incorporated into the computer program TERZAGI, which solves groundwater flow problems in saturated, multi-dimensional systems. The probabilistic computer program is given the name, PROGRES. The algorithm has been applied to study the following problems: one-dimensional flow through homogeneous media, steady-state and transient flow conditions, one-dimensional flow through heterogeneous media, steady-state and transient flow conditions, and two-dimensional steady-stte flow through heterogeneous media. The results are compared with those available in the literature.
Hybrid Semi-numerical Simulation Scheme to Predict Transducer Outputs of Acoustic Microscopes.
Nierla, Michael; Rupitsch, Stefan
2015-12-18
We present a semi-numerical simulation method called SIRFEM, which enables the efficient prediction of high frequency transducer outputs. In particular, this is important for acoustic microscopy where the specimen under investigation is immersed in a coupling fluid. Conventional Finite Element (FE) simulations for such applications would consume too much computational power due to the required spatial and temporal discretization, especially for the coupling fluid between ultrasonic transducer and specimen. However, FE simulations are in most cases essential to consider the mode conversion at and inside the solid specimen as well as the wave propagation in its interior. SIRFEM reduces the computational effort of pure FE simulations by treating only the solid specimen and a small part of the fluid layer with FE. The propagation in the coupling fluid from transducer to specimen and back is processed by the so-called spatial impulse response (SIR). Through this hybrid approach, the number of elements as well as the number of time steps for the FE simulation can be reduced significantly, as it is presented for an axis-symmetric setup. Three B-mode images of a plane 2-D setup - computed at a transducer center frequency of 20 MHz - show that SIRFEM is, furthermore, able to predict reflections at inner structures as well as multiple reflections between those structures and the specimen's surface. For the purpose of a pure 2-D setup, the spatial impulse response of a curved-line transducer is derived and compared to the response function of a cylindrically focused aperture of negligible extend in the third spatial dimension.
Modeling Small Exoplanets Interiors: a Numerical Scheme to Explore Possible Compositions
NASA Astrophysics Data System (ADS)
Brugger, B.; Mousis, O.; Deleuil, M.
2016-12-01
Despite the huge number of discovered exoplanets, our knowledge of their compositions remains extremely limited. Modeling the interiors of such bodies is necessary to go further than the first approximation given by their mean density. Here we present a numerical model aiming at computing the internal structure of a given exoplanet from its measured mass and radius, and providing a range of compositions compatible with these data. Our model assumes the presence of a metal core surrounded by a silicate mantle and a water layer. Depending on their respective proportions, we can model various compositions, typically from terrestrial planets to ocean or Mercury-like planets. We apply this model to the case of CoRoT-7b, whose mass and radius values have recently been updated to 4.73 ± 0.95% mearth and 1.585 ± 0.064 rearth, respectively. We show that these values are fully compatible with a solid composition, and find that CoRoT-7b may present a core mass fraction of 80% at maximum, or on the opposite, a maximum water mass fraction of 51%. If this latter composition is compatible with that of several icy moons in the solar system, a 80% core in mass is less conceivable and a lower limit can be placed from solar system formation conditions. These results confirm the Super-Earth status of CoRoT-7b, and show that an Earth-like composition may be obtained more easily compared to previous conclusions.
NASA Astrophysics Data System (ADS)
Baba, Toshitaka; Allgeyer, Sebastien; Hossen, Jakir; Cummins, Phil R.; Tsushima, Hiroaki; Imai, Kentaro; Yamashita, Kei; Kato, Toshihiro
2017-03-01
In this study, we considered the accurate calculation of far-field tsunami waveforms by using the shallow water equations and accounting for the effects of Boussinesq dispersion, seawater density stratification, elastic loading, and gravitational potential change in a finite difference scheme. By comparing numerical simulations that included and excluded each of these effects with the observed waveforms of the 2011 Tohoku tsunami, we found that all of these effects are significant and resolvable in the far field by the current generation of deep ocean-bottom pressure gauges. Our calculations using previously published, high-resolution models of the 2011 Tohoku tsunami source exhibited excellent agreement with the observed waveforms to a degree that has previously been possible only with near-field or regional observations. We suggest that the ability to model far-field tsunamis with high accuracy has important implications for tsunami source and hazard studies.
NASA Astrophysics Data System (ADS)
Salamatin, A.
2016-11-01
Numerical algorithm is developed for modelling non-linear mass transfer process in supercritical fluid extraction (SFE). The ground raw material is considered as polydisperse, characterized by discrete number of effective particle fractions. Two continuous interacting counterparts separated by permeable membrane are distinguished in plant material build-up. The apoplast plays role of transport channels during extraction, and symplast contains extractable oil. The complete SFE model is non-linear as a result of non-linearity of oil dissolution kinetics. The computational scheme is based on the finite-volume approximation method and Thomas elimination procedure. The resulting system of algebraic equations is solved iteratively. Special attention is paid to polydisperse substrates, when particle scale characteristics of all fractions interact with each other through pore phase concentration on the vessel scale. Stability of the developed algorithm is demonstrated in numerical tests. Special iterative procedure guarantees a monotonic decrease of oil content in individual particles of substrate. It is also shown that in the limit of the so-called shrinking core approach the number of mesh nodes on a particle scale should be increased.
Zou, Han; Jiang, Hao; Luo, Yiwen; Zhu, Jianjie; Lu, Xiaoxuan; Xie, Lihua
2016-02-22
The location and contextual status (indoor or outdoor) is fundamental and critical information for upper-layer applications, such as activity recognition and location-based services (LBS) for individuals. In addition, optimizations of building management systems (BMS), such as the pre-cooling or heating process of the air-conditioning system according to the human traffic entering or exiting a building, can utilize the information, as well. The emerging mobile devices, which are equipped with various sensors, become a feasible and flexible platform to perform indoor-outdoor (IO) detection. However, power-hungry sensors, such as GPS and WiFi, should be used with caution due to the constrained battery storage on mobile device. We propose BlueDetect: an accurate, fast response and energy-efficient scheme for IO detection and seamless LBS running on the mobile device based on the emerging low-power iBeacon technology. By leveraging the on-broad Bluetooth module and our proposed algorithms, BlueDetect provides a precise IO detection service that can turn on/off on-board power-hungry sensors smartly and automatically, optimize their performances and reduce the power consumption of mobile devices simultaneously. Moreover, seamless positioning and navigation services can be realized by it, especially in a semi-outdoor environment, which cannot be achieved by GPS or an indoor positioning system (IPS) easily. We prototype BlueDetect on Android mobile devices and evaluate its performance comprehensively. The experimental results have validated the superiority of BlueDetect in terms of IO detection accuracy, localization accuracy and energy consumption.
Zou, Han; Jiang, Hao; Luo, Yiwen; Zhu, Jianjie; Lu, Xiaoxuan; Xie, Lihua
2016-01-01
The location and contextual status (indoor or outdoor) is fundamental and critical information for upper-layer applications, such as activity recognition and location-based services (LBS) for individuals. In addition, optimizations of building management systems (BMS), such as the pre-cooling or heating process of the air-conditioning system according to the human traffic entering or exiting a building, can utilize the information, as well. The emerging mobile devices, which are equipped with various sensors, become a feasible and flexible platform to perform indoor-outdoor (IO) detection. However, power-hungry sensors, such as GPS and WiFi, should be used with caution due to the constrained battery storage on mobile device. We propose BlueDetect: an accurate, fast response and energy-efficient scheme for IO detection and seamless LBS running on the mobile device based on the emerging low-power iBeacon technology. By leveraging the on-broad Bluetooth module and our proposed algorithms, BlueDetect provides a precise IO detection service that can turn on/off on-board power-hungry sensors smartly and automatically, optimize their performances and reduce the power consumption of mobile devices simultaneously. Moreover, seamless positioning and navigation services can be realized by it, especially in a semi-outdoor environment, which cannot be achieved by GPS or an indoor positioning system (IPS) easily. We prototype BlueDetect on Android mobile devices and evaluate its performance comprehensively. The experimental results have validated the superiority of BlueDetect in terms of IO detection accuracy, localization accuracy and energy consumption. PMID:26907295
NASA Astrophysics Data System (ADS)
Doungmo Goufo, Emile Franc; Atangana, Abdon
2016-08-01
There have been numbers of conflicting and confusing situations, but also uniformity, in the application of the two most popular fractional derivatives, namely the classic Riemann-Liouville and Caputo fractional derivatives. The range of these issues is wide, including the initialization with the Caputo derivative and its observed difficulties compared to the Riemann-Liouville initialization conditions. In this paper, being aware of these issues and reacting to the newly introduced Caputo-Fabrizio fractional derivative (CFFD) without singular kernel, we introduce a new definition of fractional derivative called the new Riemann-Liouville fractional derivative (NRLFD) without singular kernel. The filtering property of the NRLFD is pointed out by showing it as the derivative of a convolution and contrary to the CFFD, it matches with the function when the order is zero. We also explore various scientific situations that may be conflicting and confusing in the applicability of both new derivatives. In particular, we show that both definitions still have some basic similarities, like not obeying the traditional chain rule. Furthermore, we provide the explicit formula for the Laplace transform of the NRLFD and we prove that, contrary to the CFFD, the NRLFD requires non-constant initial conditions and does not require the function f to be continuous or differentiable. Some simulations for the NRLFD are presented for different values of the derivative order. In the second part of this work, numerical approximations for the first- and second-order NRLFD are developped followed by a concrete application to diffusion. The stability of the numerical scheme is proved and numerical simulations are performed for different values of the derivative order α. They exhibit similar behavior for closed values of α.
NASA Astrophysics Data System (ADS)
Moore, Christopher; Hopkins, Matthew; Moore, Stan; Boerner, Jeremiah; Cartwright, Keith
2015-09-01
Simulation of breakdown is important for understanding and designing a variety of applications such as mitigating undesirable discharge events. Such simulations need to be accurate through early time arc initiation to late time stable arc behavior. Here we examine constraints on the timestep and mesh size required for arc simulations using the particle-in-cell (PIC) method with direct simulation Monte Carlo (DMSC) collisions. Accurate simulation of electron avalanche across a fixed voltage drop and constant neutral density (reduced field of 1000 Td) was found to require a timestep ~ 1/100 of the mean time between collisions and a mesh size ~ 1/25 the mean free path. These constraints are much smaller than the typical PIC-DSMC requirements for timestep and mesh size. Both constraints are related to the fact that charged particles are accelerated by the external field. Thus gradients in the electron energy distribution function can exist at scales smaller than the mean free path and these must be resolved by the mesh size for accurate collision rates. Additionally, the timestep must be small enough that the particle energy change due to the fields be small in order to capture gradients in the cross sections versus energy. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.
Ida, Masato; Taniguchi, Nobuyuki
2003-09-01
This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.
Simplification of the unified gas kinetic scheme
NASA Astrophysics Data System (ADS)
Chen, Songze; Guo, Zhaoli; Xu, Kun
2016-08-01
The unified gas kinetic scheme (UGKS) is an asymptotic preserving (AP) scheme for kinetic equations. It is superior for transition flow simulation and has been validated in the past years. However, compared to the well-known discrete ordinate method (DOM), which is a classical numerical method solving the kinetic equations, the UGKS needs more computational resources. In this study, we propose a simplification of the unified gas kinetic scheme. It allows almost identical numerical cost as the DOM, but predicts numerical results as accurate as the UGKS. In the simplified scheme, the numerical flux for the velocity distribution function and the numerical flux for the macroscopic conservative quantities are evaluated separately. The equilibrium part of the UGKS flux is calculated by analytical solution instead of the numerical quadrature in velocity space. The simplification is equivalent to a flux hybridization of the gas kinetic scheme for the Navier-Stokes (NS) equations and the conventional discrete ordinate method. Several simplification strategies are tested, through which we can identify the key ingredient of the Navier-Stokes asymptotic preserving property. Numerical tests show that, as long as the collision effect is built into the macroscopic numerical flux, the numerical scheme is Navier-Stokes asymptotic preserving, regardless the accuracy of the microscopic numerical flux for the velocity distribution function.
NASA Astrophysics Data System (ADS)
Margelowsky, G.; Foster, D.; Traykovski, P.; Felzenberg, J. A.
2010-12-01
The dynamics of wave-current and tidal flow bottom boundary layers are evaluated with a quasi-three-dimensional non-hydrostatic phase-resolving wave-current bottom boundary layer model, Dune. In each case, the model is evaluated with field observations of velocity profiles and seabed geometry. For wave-current boundary layers, the observations were obtained over a 26-day period in 13 m of water at the Martha’s Vineyard Coastal Observatory (MVCO, Edgartown, MA) in 2002 - 2003. Bedforms were orbital-scale ripples with wavelengths of 50-125 cm and heights of 5-20 cm with peak root-mean-square orbital velocities and mean flows typically ranging from 50-70 cm/s and 10-20 cm/s, respectively. The observations for tidal flows were obtained over a 3-day period in 13-16 m of water in Portsmouth Harbor (Portsmouth, NH) in 2008. Bedforms were dunes with wavelengths on the order of 1 m and heights on the order of 10 cm with typical peak tidal currents of approximately 1 m/s. The flow field is simulated with a finite volume approach to solve the Reynolds-Averaged Navier-Stokes equations with a k-ω 2nd order turbulence closure scheme. The model simulations are performed for a range of theoretical and observed bedforms to examine the boundary layer sensitivity to the resolution of the bottom roughness. The observed and predicted vertical velocity profiles are evaluated with correlations and Briar’s Skill scores over the range of data sets.
NASA Astrophysics Data System (ADS)
Hrubý, Jan
2012-04-01
Mathematical modeling of the non-equilibrium condensing transonic steam flow in the complex 3D geometry of a steam turbine is a demanding problem both concerning the physical concepts and the required computational power. Available accurate formulations of steam properties IAPWS-95 and IAPWS-IF97 require much computation time. For this reason, the modelers often accept the unrealistic ideal-gas behavior. Here we present a computation scheme based on a piecewise, thermodynamically consistent representation of the IAPWS-95 formulation. Density and internal energy are chosen as independent variables to avoid variable transformations and iterations. On the contrary to the previous Tabular Taylor Series Expansion Method, the pressure and temperature are continuous functions of the independent variables, which is a desirable property for the solution of the differential equations of the mass, energy, and momentum conservation for both phases.
NASA Astrophysics Data System (ADS)
Avgoustoglou, Euripides; Tzeferi, Theodora
2015-01-01
The COSMO model uses operationally two sub-grid schemes for the evaluation of stratus clouds. A semi-empirical scheme based on relative humidity is used in the radiation module while a statistical scheme is used in the turbulence module. The objective is to investigate the possibility of the implementation of the statistical scheme also in the radiation module. The relative impact is presented in reference to a spring test case with synoptic conditions that favor stratiform clouds. The domain considered is the wider Balkan region around the Hellenic geographical area and is characterized by comparable sea and land partitions. This particular domain choice gives rise to a strong coexistence of continental as well as marine clouds which is one of the most challenging features regarding the operational use of numerical weather prediction models by the Hellenic Meteorological Service. The results are evaluated through direct comparisons with satellite data as well as the observed 2-m temperatures for an approximate total of fifty Greek synoptic meteorological stations. The implementation of the statistical scheme led to an underestimation of low cloud-cover by the model in contrast to the implementation of the default relative-humidity scheme, while regarding medium cloud-cover the situation was reversed. Also, the daily 2-meter minimum and maximum temperatures were slightly better simulated, but not conclusively, when the statistical scheme was implemented in the radiation module. Although the statistical scheme cannot in its present form replace operationally the relative-humidity scheme in the radiation module, it is an important asset to COSMO model invoking valuable insight to the physics of the model and can be used as a basis to support the ongoing research in this crucial area of atmospheric sciences.
Yan, Zhenya
2006-03-01
First, a type of Q-S (complete or anticipated) synchronization is defined in discrete-time dynamical systems. Second, based on backstepping design with a scalar controller, a systematic, concrete and automatic scheme is presented to investigate Q-S (complete or anticipated) synchronization between the discrete-time drive system and response system with strict-feedback form. Finally, the proposed scheme is used to illustrate Q-S (complete or anticipated) synchronization between the two-dimensional discrete-time Lorenz system and Fold system, as well as the three-dimensional hyperchaotic discrete-time Rossler system and generalized discrete-time Rossler system. Moreover numerical simulations are used to verify the effectiveness of the proposed scheme. Our scheme can be also extended to investigate Q-S (complete or anticipated) synchronization between other discrete-time dynamical systems with strict-feedback forms. With the aid of symbolic-numeric computation, the scheme can be performed to yield automatically the scalar controller and to verify its effectiveness in computer.
NASA Astrophysics Data System (ADS)
Sarkadi, N.; Geresdi, I.; Thompson, G.
2016-11-01
In this study, results of bulk and bin microphysical schemes are compared in the case of idealized simulations of pre-frontal orographic clouds with enhanced embedded convection. The description graupel formation by intensive riming of snowflakes was improved compared to prior versions of each scheme. Two methods of graupel melting coincident with collisions with water drops were considered: (1) all simulated melting and collected water drops increase the amount of melted water on the surface of graupel particles with no shedding permitted; (2) also no shedding permitted due to melting, but the collision with the water drops can induce shedding from the surface of the graupel particles. The results of the numerical experiments show: (i) The bin schemes generate graupel particles more efficiently by riming than the bulk scheme does; the intense riming of snowflakes was the most dominant process for the graupel formation. (ii) The collision-induced shedding significantly affects the evolution of the size distribution of graupel particles and water drops below the melting level. (iii) The three microphysical schemes gave similar values for the domain integrated surface precipitation, but the patterns reveal meaningful differences. (iv) Sensitivity tests using the bulk scheme show that the depth of the melting layer is sensitive to the description of the terminal velocity of the melting snow. (v) Comparisons against Convair-580 flight measurements suggest that the bin schemes simulate well the evolution of the pristine ice particles and liquid drops, while some inaccuracy can occur in the description of snowflakes riming. (vi) The bin scheme with collision-induced shedding reproduced well the quantitative characteristics of the observed bright band.
NASA Technical Reports Server (NTRS)
Yee, H. C.; Warming, R. F.; Harten, A.
1985-01-01
Highly accurate and yet stable shock-capturing finite difference schemes have been designed for the computation of the Euler equations of gas dynamics. Four different principles for the construction of high resolution total variation diminishing (TVD) schemes are available, including hybrid schemes, a second-order extension of Godunov's scheme by van Leer (1979), the modified flux approach of Harten (1983, 1984), and the numerical fluctuation approach of Roe (1985). The present paper has the objective to review the class of second-order TVD schemes via the modified flux approach. Attention is given to first-order TVD schemes, a second-order accurate explicit TVD scheme, the global order of accuracy of the second-order TVD scheme, extensions to systems and two-dimensional conservation laws, numerical experiments with a second-order explicit TVD scheme, implicit TVD schemes, and second-order implicit TVD schemes.
2011-08-01
and Computational Studies for Dynamically Orthogonal Equations by Mattheus P. Ueckermann Pierre F. J. Lermusiaux Themis P. Sapsis...COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE Numerical Schemes and Computational Studies for Dynamically Orthogonal Equations 5a...ocean ows, and other non-linear dynamical systems. The Dynamically Orthogonal (DO) eld equations provide an e cient time- dependent adaptive methodology
NASA Astrophysics Data System (ADS)
Ersoy, Mehmet; Lakkis, Omar; Townsend, Philip
2016-04-01
The flow of water in rivers and oceans can, under general assumptions, be efficiently modelled using Saint-Venant's shallow water system of equations (SWE). SWE is a hyperbolic system of conservation laws (HSCL) which can be derived from a starting point of incompressible Navier-Stokes. A common difficulty in the numerical simulation of HSCLs is the conservation of physical entropy. Work by Audusse, Bristeau, Perthame (2000) and Perthame, Simeoni (2001), proposed numerical SWE solvers known as kinetic schemes (KSs), which can be shown to have desirable entropy-consistent properties, and are thus called well-balanced schemes. A KS is derived from kinetic equations that can be integrated into the SWE. In flood risk assessment models the SWE must be coupled with other equations describing interacting meteorological and hydrogeological phenomena such as rain and groundwater flows. The SWE must therefore be appropriately modified to accommodate source and sink terms, so kinetic schemes are no longer valid. While modifications of SWE in this direction have been recently proposed, e.g., Delestre (2010), we depart from the extant literature by proposing a novel model that is "entropy-consistent" and naturally extends the SWE by respecting its kinetic formulation connections. This allows us to derive a system of partial differential equations modelling flow of a one-dimensional river with both a precipitation term and a groundwater flow model to account for potential infiltration and recharge. We exhibit numerical simulations of the corresponding kinetic schemes. These simulations can be applied to both real world flood prediction and the tackling of wider issues on how climate and societal change are affecting flood risk.
Technology Transfer Automated Retrieval System (TEKTRAN)
The dust emission scheme of Shao (2004) has been implemented into the regional atmospheric model COSMO-ART and has been applied to a severe dust event in northeastern Germany on 8th April 2011. The model sensitivity to soil moisture and vegetation cover has been studied. Soil moisture has been found...
NASA Astrophysics Data System (ADS)
Bernales, Jorge; Rogozhina, Irina; Greve, Ralf; Thomas, Maik
2017-01-01
The shallow ice approximation (SIA) is commonly used in ice-sheet models to simplify the force balance equations within the ice. However, the SIA cannot adequately reproduce the dynamics of the fast flowing ice streams usually found at the margins of ice sheets. To overcome this limitation, recent studies have introduced heuristic hybrid combinations of the SIA and the shelfy stream approximation. Here, we implement four different hybrid schemes into a model of the Antarctic Ice Sheet in order to compare their performance under present-day conditions. For each scheme, the model is calibrated using an iterative technique to infer the spatial variability in basal sliding parameters. Model results are validated against topographic and velocity data. Our analysis shows that the iterative technique compensates for the differences between the schemes, producing similar ice-sheet configurations through quantitatively different results of the sliding coefficient calibration. Despite this we observe a robust agreement in the reconstructed patterns of basal sliding parameters. We exchange the calibrated sliding parameter distributions between the schemes to demonstrate that the results of the model calibration cannot be straightforwardly transferred to models based on different approximations of ice dynamics. However, easily adaptable calibration techniques for the potential distribution of basal sliding coefficients can be implemented into ice models to overcome such incompatibility, as shown in this study.
NASA Astrophysics Data System (ADS)
Stewart, Andrew L.; Dellar, Paul J.
2016-05-01
We present an energy- and potential enstrophy-conserving scheme for the non-traditional shallow water equations that include the complete Coriolis force and topography. These integral conservation properties follow from material conservation of potential vorticity in the continuous shallow water equations. The latter property cannot be preserved by a discretisation on a fixed Eulerian grid, but exact conservation of a discrete energy and a discrete potential enstrophy seems to be an effective substitute that prevents any distortion of the forward and inverse cascades in quasi-two dimensional turbulence through spurious sources and sinks of energy and potential enstrophy, and also increases the robustness of the scheme against nonlinear instabilities. We exploit the existing Arakawa-Lamb scheme for the traditional shallow water equations, reformulated by Salmon as a discretisation of the Hamiltonian and Poisson bracket for this system. The non-rotating, traditional, and our non-traditional shallow water equations all share the same continuous Hamiltonian structure and Poisson bracket, provided one distinguishes between the particle velocity and the canonical momentum per unit mass. We have determined a suitable discretisation of the non-traditional canonical momentum, which includes additional coupling between the layer thickness and velocity fields, and modified the discrete kinetic energy to suppress an internal symmetric computational instability that otherwise arises for multiple layers. The resulting scheme exhibits the expected second-order convergence under spatial grid refinement. We also show that the drifts in the discrete total energy and potential enstrophy due to temporal truncation error may be reduced to machine precision under suitable refinement of the timestep using the third-order Adams-Bashforth or fourth-order Runge-Kutta integration schemes.
Towards an "All Speed" Unstructured Upwind Scheme
NASA Technical Reports Server (NTRS)
Loh, Ching Y.; Jorgenson, Philip C.E.
2009-01-01
In the authors previous studies [1], a time-accurate, upwind finite volume method (ETAU scheme) for computing compressible flows on unstructured grids was proposed. The scheme is second order accurate in space and time and yields high resolution in the presence of discontinuities. The scheme features a multidimensional limiter and multidimensional numerical dissipation. These help to stabilize the numerical process and to overcome the annoying pathological behaviors of upwind schemes. In the present paper, it will be further shown that such multidimensional treatments also lead to a nearly all-speed or Mach number insensitive upwind scheme. For flows at very high Mach number, e.g., 10, local numerical instabilities or the pathological behaviors are suppressed, while for flows at very low Mach number, e.g., 0.02, computation can be directly carried out without invoking preconditioning. For flows in different Mach number regimes, i.e., low, medium, and high Mach numbers, one only needs to adjust one or two parameters in the scheme. Several examples with low and high Mach numbers are demonstrated in this paper. Thus, the ETAU scheme is applicable to a broad spectrum of flow regimes ranging from high supersonic to low subsonic, appropriate for both CFD (computational fluid dynamics) and CAA (computational aeroacoustics).
NASA Astrophysics Data System (ADS)
Qu, Mengmeng; Jiang, Dazhi; Lu, Lucy X.
2016-11-01
To address the multiscale deformation and fabric development in Earth's ductile lithosphere, micromechanics-based self-consistent homogenization is commonly used to obtain macroscale rheological properties from properties of constituent elements. The homogenization is heavily based on the solution of an Eshelby viscous inclusion in a linear viscous medium and the extension of the solution to nonlinear viscous materials. The homogenization requires repeated numerical evaluation of Eshelby tensors for constituent elements and becomes ever more computationally challenging as the elements are deformed to more elongate or flattened shapes. In this paper, we develop an optimal scheme for evaluating Eshelby tensors, using a combination of a product Gaussian quadrature and the Lebedev quadrature. We first establish, through numerical experiments, an empirical relationship between the inclusion shape and the computational time it takes to evaluate its Eshelby tensors. We then use the relationship to develop an optimal scheme for selecting the most efficient quadrature to obtain the Eshelby tensors. The optimal scheme is applicable to general homogenizations. In this paper, it is implemented in a MATLAB package for investigating the evolution of solitary rigid or deformable inclusions and the development of shape preferred orientations in multi-inclusion systems during deformation. The MATLAB package, upgrading an earlier effort written in MathCad, can be downloaded online.
NASA Astrophysics Data System (ADS)
Bidadi, Shreyas; Rani, Sarma L.
2015-01-01
Monotonically integrated large-eddy simulation (MILES) approach utilizes the dissipation inherent to shock-capturing schemes to emulate the role played by explicit subgrid-scale eddy diffusivity at the high-wavenumber end of the turbulent energy spectrum. In the current study, a novel formulation is presented for quantifying the numerical viscosity inherent to Roe-based second-order TVD-MUSCL schemes for the Euler equations. Using this formulation, the effects of numerical viscosity and dissipation rate on implicit large-eddy simulations of turbulent flows are investigated. At first, the three-dimensional (3-D) finite-volume extension of the original Roe's flux, including Roe's Jacobian matrix, is presented. The fluxes are then extended to second-order using van Leer's MUSCL extrapolation technique. Starting from the 3-D Roe-MUSCL flux, an expression is derived for the numerical viscosity as a function of flux limiter and characteristic speed for each conserved variable, distance between adjacent cell centers, and a scaling parameter. Motivated by Thornber et al. [16] study, the high numerical viscosity inherent to TVD-MUSCL schemes is mitigated using a z-factor that depends on local Mach number. The TVD limiters, along with the z-factor, were initially applied to the 1-D shock-tube and 2-D inviscid supersonic wedge flows. Spatial profiles of numerical viscosities are plotted, which provide insights into the role of these limiters in controlling the dissipative nature of Roe's flux while maintaining monotonicity and stability in regions of high gradients. Subsequently, a detailed investigation was performed of decaying homogeneous isotropic turbulence with varying degrees of compressibility. Spectra of numerical viscosity and dissipation rate are presented, which clearly demonstrate the effectiveness of the z-factor both in narrowing the wavenumber range in which dissipation occurs, and in shifting the location of dissipation peak closer to the cut-off wavenumber
CONDIF - A modified central-difference scheme for convective flows
NASA Technical Reports Server (NTRS)
Runchal, Akshai K.
1987-01-01
The paper presents a method, called CONDIF, which modifies the CDS (central-difference scheme) by introducing a controlled amount of numerical diffusion based on the local gradients. The numerical diffusion can be adjusted to be negligibly low for most problems. CONDIF results are significantly more accurate than those obtained from the hybrid scheme when the Peclet number is very high and the flow is at large angles to the grid.
NASA Astrophysics Data System (ADS)
Kulikov, Igor; Vorobyov, Eduard
2016-07-01
An approach for constructing a low-dissipation numerical method is described. The method is based on a combination of the operator-splitting method, Godunov method, and piecewise-parabolic method on the local stencil. Numerical method was tested on a standard suite of hydrodynamic test problems. In addition, the performance of the method is demonstrated on a global test problem showing the development of a spiral structure in a gravitationally unstable gaseous galactic disk.
NASA Astrophysics Data System (ADS)
Chiumenti, M.; Cervera, M.; Agelet de Saracibar, C.; Dialami, N.
2013-05-01
In this work a novel finite element technology based on a three-field mixed formulation is presented. The Variational Multi Scale (VMS) method is used to circumvent the LBB stability condition allowing the use of linear piece-wise interpolations for displacement, stress and pressure fields, respectively. The result is an enhanced stress field approximation which enables for stress-accurate results in nonlinear computational mechanics. The use of an independent nodal variable for the pressure field allows for an adhoc treatment of the incompressibility constraint. This is a mandatory requirement due to the isochoric nature of the plastic strain in metal forming processes. The highly non-linear stress field typically encountered in the Friction Stir Welding (FSW) process is used as an example to show the performance of this new FE technology. The numerical simulation of the FSW process is tackled by means of an Arbitrary-Lagrangian-Eulerian (ALE) formulation. The computational domain is split into three different zones: the work.piece (defined by a rigid visco-plastic behaviour in the Eulerian framework), the pin (within the Lagrangian framework) and finally the stirzone (ALE formulation). A fully coupled thermo-mechanical analysis is introduced showing the heat fluxes generated by the plastic dissipation in the stir-zone (Sheppard rigid-viscoplastic constitutive model) as well as the frictional dissipation at the contact interface (Norton frictional contact model). Finally, tracers have been implemented to show the material flow around the pin allowing a better understanding of the welding mechanism. Numerical results are compared with experimental evidence.
High resolution schemes and the entropy condition
NASA Technical Reports Server (NTRS)
Osher, S.; Chakravarthy, S.
1983-01-01
A systematic procedure for constructing semidiscrete, second order accurate, variation diminishing, five point band width, approximations to scalar conservation laws, is presented. These schemes are constructed to also satisfy a single discrete entropy inequality. Thus, in the convex flux case, convergence is proven to be the unique physically correct solution. For hyperbolic systems of conservation laws, this construction is used formally to extend the first author's first order accurate scheme, and show (under some minor technical hypotheses) that limit solutions satisfy an entropy inequality. Results concerning discrete shocks, a maximum principle, and maximal order of accuracy are obtained. Numerical applications are also presented.
Efficient implementation of weighted ENO schemes
NASA Technical Reports Server (NTRS)
Jiang, Guang-Shan; Shu, Chi-Wang
1995-01-01
In this paper, we further analyze, test, modify and improve the high order WENO (weighted essentially non-oscillatory) finite difference schemes of Liu, Osher and Chan. It was shown by Liu et al. that WENO schemes constructed from the r-th order (in L1 norm) ENO schemes are (r+1)-th order accurate. We propose a new way of measuring the smoothness of a numerical solution, emulating the idea of minimizing the total variation of the approximation, which results in a 5-th order WENO scheme for the case r = 3, instead of the 4-th order with the original smoothness measurement by Liu et al. This 5-th order WENO scheme is as fast as the 4-th order WENO scheme of Liu et al., and both schemes are about twice as fast as the 4-th order ENO schemes on vector supercomputers and as fast on serial and parallel computers. For Euler systems of gas dynamics, we suggest computing the weights from pressure and entropy instead of the characteristic values to simplify the costly characteristic procedure. The resulting WENO schemes are about twice as fast as the WENO schemes using the characteristic decompositions to compute weights, and work well for problems which do not contain strong shocks or strong reflected waves. We also prove that, for conservation laws with smooth solutions, all WENO schemes are convergent. Many numerical tests, including the 1D steady state nozzle flow problem and 2D shock entropy wave interaction problem, are presented to demonstrate the remarkable capability of the WENO schemes, especially the WENO scheme using the new smoothness measurement, in resolving complicated shock and flow structures. We have also applied Yang's artificial compression method to the WENO schemes to sharpen contact discontinuities.
NASA Technical Reports Server (NTRS)
Arnold, S. M.; Saleeb, A. F.; Tan, H. Q.; Zhang, Y.
1993-01-01
The issue of developing effective and robust schemes to implement a class of the Ogden-type hyperelastic constitutive models is addressed. To this end, special purpose functions (running under MACSYMA) are developed for the symbolic derivation, evaluation, and automatic FORTRAN code generation of explicit expressions for the corresponding stress function and material tangent stiffness tensors. These explicit forms are valid over the entire deformation range, since the singularities resulting from repeated principal-stretch values have been theoretically removed. The required computational algorithms are outlined, and the resulting FORTRAN computer code is presented.
Numerical simulation of electrospray in the cone-jet mode.
Herrada, M A; López-Herrera, J M; Gañán-Calvo, A M; Vega, E J; Montanero, J M; Popinet, S
2012-08-01
We present a robust and computationally efficient numerical scheme for simulating steady electrohydrodynamic atomization processes (electrospray). The main simplification assumed in this scheme is that all the free electrical charges are distributed over the interface. A comparison of the results with those calculated with a volume-of-fluid method showed that the numerical scheme presented here accurately describes the flow pattern within the entire liquid domain. Experiments were performed to partially validate the numerical predictions. The simulations reproduced accurately the experimental shape of the liquid cone jet, providing correct values of the emitted electric current even for configurations very close to the cone-jet stability limit.
NASA Astrophysics Data System (ADS)
Alonso-Vargas, G.
A computer program has been developed which uses a technique of synthetic acceleration by diffusion by analytical schemes. Both in the diffusion equation as in that of transport, analytical schemes were used which allowed a substantial time saving in the number of iterations required by source iteration method to obtain the K(sub e)ff. The program developed ASD (Synthetic Diffusion Acceleration) by diffusion was written in FORTRAN and can be executed on a personal computer with a hard disc and mathematical O-processor. The program is unlimited as to the number of regions and energy groups. The results obtained by the ASD program for K(sub e)ff is nearly completely concordant with those obtained by utilizing the ANISN-PC code for different analytical type problems in this work. The ASD program allowed obtention of an approximate solution of the neutron transport equation with a relatively low number of internal reiterations with good precision. One of its applications would be in the direct determinations of axial distribution neutronic flow in a fuel assembly as well as in the obtention of the effective multiplication factor.
Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.
2013-11-14
The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol{sup −1}) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non
Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.
2013-01-01
The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol−1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB
NASA Astrophysics Data System (ADS)
Tirupathi, S.; Schiemenz, A. R.; Liang, Y.; Parmentier, E.; Hesthaven, J.
2013-12-01
The style and mode of melt migration in the mantle are important to the interpretation of basalts erupted on the surface. Both grain-scale diffuse porous flow and channelized melt migration have been proposed. To better understand the mechanisms and consequences of melt migration in a heterogeneous mantle, we have undertaken a numerical study of reactive dissolution in an upwelling and viscously deformable mantle where solubility of pyroxene increases upwards. Our setup is similar to that described in [1], except we use a larger domain size in 2D and 3D and a new numerical method. To enable efficient simulations in 3D through parallel computing, we developed a high-order accurate numerical method for the magma dynamics problem using discontinuous Galerkin methods and constructed the problem using the numerical library deal.II [2]. Linear stability analyses of the reactive dissolution problem reveal three dynamically distinct regimes [3] and the simulations reported in this study were run in the stable regime and the unstable wave regime where small perturbations in porosity grows periodically. The wave regime is more relevant to melt migration beneath the mid-ocean ridges but computationally more challenging. Extending the 2D simulations in the stable regime in [1] to 3D using various combinations of sustained perturbations in porosity at the base of the upwelling column (which may result from a viened mantle), we show the geometry and distribution of dunite channel and high-porosity melt channels are highly correlated with inflow perturbation through superposition. Strong nonlinear interactions among compaction, dissolution, and upwelling give rise to porosity waves and high-porosity melt channels in the wave regime. These compaction-dissolution waves have well organized but time-dependent structures in the lower part of the simulation domain. High-porosity melt channels nucleate along nodal lines of the porosity waves, growing downwards. The wavelength scales
NASA Technical Reports Server (NTRS)
Chen, C. P.
1990-01-01
An existing Computational Fluid Dynamics code for simulating complex turbulent flows inside a liquid rocket combustion chamber was validated and further developed. The Advanced Rocket Injector/Combustor Code (ARICC) is simplified and validated against benchmark flow situations for laminar and turbulent flows. The numerical method used in ARICC Code is re-examined for incompressible flow calculations. For turbulent flows, both the subgrid and the two equation k-epsilon turbulence models are studied. Cases tested include idealized Burger's equation in complex geometries and boundaries, a laminar pipe flow, a high Reynolds number turbulent flow, and a confined coaxial jet with recirculations. The accuracy of the algorithm is examined by comparing the numerical results with the analytical solutions as well as experimented data with different grid sizes.
NASA Astrophysics Data System (ADS)
Mihailovic, Dragutin T.; Lazic, Jelena; Leśny, Jacek; Olejnik, Janusz; Lalic, Branislava; Kapor, Darko; Cirisan, Ana
2010-05-01
Numerical simulations and tests with the recently redesigned land-air parameterization scheme (LAPS) are presented. In all experiments, supported either by one-point micrometeorological, 1D or 3D simulations, the attention has been directed to: (1) comparison of simulation outputs, expressing the energy transfer over and through heterogeneous and non-heterogeneous surfaces, versus observations and (2) analysis of uncertainties occurring in the solution of the energy balance equation at the land-air interface. To check the proposed method for aggregation of albedo, "propagating hole" sensitivity tests with LAPS over a sandstone rock grid cell have been performed with the forcing meteorological data for July 17, 1999 in Baxter site, Philadelphia (USA). Micrometeorological and biophysical measurements from the surface experiments conducted over crops and apple orchard in Serbia, Poland, Austria and France were used to test the operation of LAPS in calculating surface fluxes and canopy environment temperatures within and above plant covers of different densities. In addition, sensitivity tests with single canopy covers over the Central Europe region and comparison against the observations taken from SYNOP data using 3D simulations were made. Validation of LAPS performances over a solid surface has been done by comparison of 2 m air temperature observations against 5-day simulations over the Sahara Desert rocky ground using 3D model. To examine how realistically the LAPS simulates surface processes over a heterogeneous surface, we compared the air temperature measured at 2 m and that predicted by the 1D model with the LAPS as the surface scheme. Finally, the scheme behaviour over urban surface was tested by runs over different parts of a hypothetical urban area. The corresponding 1D simulations were carried out with an imposed meteorological dataset collected during HAPEX-MOBILHY experiment at Caumont (France). The quantities predicted by the LAPS compare well with the
NASA Astrophysics Data System (ADS)
Khirevich, Siarhei; Ginzburg, Irina; Tallarek, Ulrich
2015-01-01
We analyze the intrinsic impact of free-tunable combinations of the relaxation rates controlling viscosity-independent accuracy of the multiple-relaxation-times (MRT) lattice-Boltzmann models. Preserving all MRT degrees of freedom, we formulate the parametrization conditions which enable the MRT schemes to provide viscosity-independent truncation errors for steady state solutions, and support them with the second- and third-order accurate ("linear" and "parabolic", respectively) boundary schemes. The parabolic schemes demonstrate the advanced accuracy with weak dependency on the relaxation rates, as confirmed by the simulations with the D3Q15 model in three regular arrays (SC, BCC, FCC) of touching spheres. Yet, the low-order, bounce-back boundary rule remains appealing for pore-scale simulations where the precise distance to the boundaries is undetermined. However, the effective accuracy of the bounce-back crucially depends on the free-tunable combinations of the relaxation rates. We find that the combinations of the kinematic viscosity rate with the available "ghost" antisymmetric collision mode rates mainly impact the accuracy of the bounce-back scheme. As the first step, we reduce them to the one combination (presented by so-called "magic" parameter Λ in the frame of the two-relaxation-times (TRT) model), and study its impact on the accuracy of the drag force/permeability computations with the D3Q19 velocity set in two different, dense, random packings of 8000 spheres each. We also run the simulations in the regular (BCC and FCC) packings of the same porosity for the broad range of the discretization resolutions, ranging from 5 to 750 lattice nodes per sphere diameter. A special attention is given to the discretization procedure resulting in significantly reduced scatter of the data obtained at low resolutions. The results reveal the identical Λ-dependency versus the discretization resolution in all four packings, regular and random. While very small
NASA Astrophysics Data System (ADS)
Deetz, K.; Klose, M.; Kirchner, I.; Cubasch, U.
2016-02-01
The dust emission scheme of Shao (2004) has been implemented into the regional atmospheric model COSMO-ART and has been applied to a severe dust event in northeastern Germany on 8th April 2011. The model sensitivity to soil moisture and vegetation cover has been studied. Soil moisture has been found to be relatively high in the model during the investigation period and has been reduced by different degree to investigate the resulting changes in dust emissions. Two different vegetation datasets have been tested as model input: the climatological vegetation cover data of COSMO-ART (ECOCLIMAP) and the SPOT5 remote sensing vegetation cover data for the time of the event. By varying soil moisture, vegetation cover and by restricting the potential emission area, a set of eleven simulations was generated. Vegetation cover during the event was about 24% lower on average compared to the climatological mean. Thus, dust emissions modeled with SPOT5 vegetation exceeded that modeled with climatological data by a factor of about 5. The modeled dust concentrations were compared with in-situ measurements of aerosol concentration. The temporal evolutions of simulations and observations have significant correlations (0.42-0.85) especially in rural backgrounds. The lower correlations at urban sites are attributed to anthropogenic PM10 sources, which are not included in the model. However, a verification of the magnitude of modeled dust concentrations is not possible due to the uncertainty in soil moisture and emission area.
NASA Technical Reports Server (NTRS)
Rosen, I. G.
1984-01-01
A cubic spline based Galerkin-like method is developed for the identification of a class of hybrid systems which describe the transverse vibration to flexible beams with attached tip bodies. The identification problem is formulated as a least squares fit to data subject to the system dynamics given by a coupled system of ordnary and partial differential equations recast as an abstract evolution equation (AEE) in an appropriate infinite dimensional Hilbert space. Projecting the AEE into spline-based subspaces leads naturally to a sequence of approximating finite dimensional identification problems. The solutions to these problems are shown to exist, are relatively easily computed, and are shown to, in some sense, converge to solutions to the original identification problem. Numerical results for a variety of examples are discussed.
NASA Technical Reports Server (NTRS)
Scott, James R.; Atassi, Hafiz M.
1991-01-01
A numerical method is developed for solving periodic, three-dimensional, vortical flows around lifting airfoils in subsonic flow. The first-order method, that is presented, fully accounts for the distortion effects of the nonuniform mean flow on the convected upstream vortical disturbances. The unsteady velocity is split into a vortical component which is a known function of the upstream flow conditions and the Lagrangian coordinates of the mean flow, and an irrotational field whose potential satisfies a nonconstant-coefficient, inhomogeneous, convective wave equation. Using an elliptic coordinate transformation, the unsteady boundary value problem is solved in the frequency domain on grids which are determined as a function of the Mach number and reduced frequency. Extensive comparisons are made with known solutions to unsteady vortical flow problems, and it is seen that the agreement is generally very good for reduced frequencies ranging from 0 up to 4.
An Energy Decaying Scheme for Nonlinear Dynamics of Shells
NASA Technical Reports Server (NTRS)
Bottasso, Carlo L.; Bauchau, Olivier A.; Choi, Jou-Young; Bushnell, Dennis M. (Technical Monitor)
2000-01-01
A novel integration scheme for nonlinear dynamics of geometrically exact shells is developed based on the inextensible director assumption. The new algorithm is designed so as to imply the strict decay of the system total mechanical energy at each time step, and consequently unconditional stability is achieved in the nonlinear regime. Furthermore, the scheme features tunable high frequency numerical damping and it is therefore stiffly accurate. The method is tested for a finite element spatial formulation of shells based on mixed interpolations of strain tensorial components and on a two-parameter representation of director rotations. The robustness of the, scheme is illustrated with the help of numerical examples.
NASA Astrophysics Data System (ADS)
Ciliberti, Stefania Angela; Peneva, Elisaveta; Storto, Andrea; Rostislav, Kandilarov; Lecci, Rita; Yang, Chunxue; Coppini, Giovanni; Masina, Simona; Pinardi, Nadia
2016-04-01
This study describes a new model implementation for the Black Sea, which uses data assimilation, towards operational forecasting, based on NEMO (Nucleus for European Modelling of the Ocean, Madec et al., 2012). The Black Sea domain is resolved with 1/27°×1/36° horizontal resolution (~3 km) and 31 z-levels with partial steps based on the GEBCO bathymetry data (Grayek et al., 2010). The model is forced by momentum, water and heat fluxes interactively computed by bulk formulae using high resolution atmospheric forcing provided by the European Centre for Medium-Range Forecast (ECMWF). The initial condition is calculated from long-term climatological temperature and salinity 3D fields. Precipitation field over the basin has been computed from the climatological GPCP rainfall monthly data (Adler et al., 2003; Huffman et al., 2009), while the evaporation is derived from the latent heat flux. The climatological monthly mean runoff of the major rivers in the Black Sea is computed using the hydrological dataset provided by SESAME project (Ludvig et al., 2009). The exchange with Mediterranean Sea through the Bosporus Straits is represented by a surface boundary condition taking into account the barotropic transport calculated to balance the fresh water fluxes on monthly bases (Stanev and Beckers, 1999, Peneva et al., 2001). A multi-annual run 2011-2015 has been completed in order to describe the main characteristics of the Black Sea circulation dynamics and thermohaline structure and the numerical results have been validated using in-situ (ARGO) and satellite (SST, SLA) data. The Black Sea model represents also the core of the new Black Sea Forecasting System, implemented at CMCC operationally since January 2016, which produces at daily frequency 10-day forecasts, 3-days analyses and 1-day simulation. Once a week, the system is run 15-day in the past in analysis mode to compute the new optimal initial condition for the forecast cycle. The assimilation is performed by a
NASA Astrophysics Data System (ADS)
Cheng, Yingda; Christlieb, Andrew J.; Zhong, Xinghui
2015-05-01
In this paper, we propose energy-conserving Eulerian solvers for the two-species Vlasov-Ampère (VA) system and apply the methods to simulate current-driven ion-acoustic instability. The two-species VA systems are of practical importance in applications, and they conserve many physical quantities including the particle number of each species and the total energy that is comprised of kinetic energy for both species and the electric energy. The main goal of this paper is to generalize our previous work for the single-species VA system [9] and Vlasov-Maxwell (VM) system [8] to the two-species case. The methodologies proposed involve careful design of temporal discretization and the use of the discontinuous Galerkin (DG) spatial discretizations. We show that the energy-conserving time discretizations for single-species equations [9,8] can also work for the two-species case if extended properly. Compared to other high order schemes, we emphasize that our schemes can preserve the total particle number and total energy on the fully discrete level regardless of mesh size, making them very attractive for long time simulations. We benchmark our algorithms on a test example to check the one-species limit, and the current-driven ion-acoustic instability. To simulate the current-driven ion-acoustic instability, a slight modification for the implicit method is necessary to fully decouple the split equations. This is achieved by a Gauss-Seidel type iteration technique. Numerical results verified the conservation and performance of our methods. Finally, we remark that the schemes in this paper can be readily extended to applications when the models take more general form, such as the multi-species VM equations.
NASA Technical Reports Server (NTRS)
Cannizzaro, Frank E.; Ash, Robert L.
1992-01-01
A state-of-the-art computer code has been developed that incorporates a modified Runge-Kutta time integration scheme, upwind numerical techniques, multigrid acceleration, and multi-block capabilities (RUMM). A three-dimensional thin-layer formulation of the Navier-Stokes equations is employed. For turbulent flow cases, the Baldwin-Lomax algebraic turbulence model is used. Two different upwind techniques are available: van Leer's flux-vector splitting and Roe's flux-difference splitting. Full approximation multi-grid plus implicit residual and corrector smoothing were implemented to enhance the rate of convergence. Multi-block capabilities were developed to provide geometric flexibility. This feature allows the developed computer code to accommodate any grid topology or grid configuration with multiple topologies. The results shown in this dissertation were chosen to validate the computer code and display its geometric flexibility, which is provided by the multi-block structure.
Augmented weighted diamond form of the linear nodal scheme for Cartesian coordinate systems
Walters, W.F.
1985-01-01
The equations of the high order linear nodal numerical scheme are cast in an augmented weighted difference form for three-dimensional Cartesian nodes. The coupling exhibited by these equations indicate that this new algorithm is simpler and hence faster than previous nodal schemes of this degree of accuracy. A well-logging problem and a fast reactor problem are examined. The new scheme developed here is compared with the classical linear-linear nodal scheme and the diamond difference scheme. For the well-logging problem, it is found that the new scheme is both faster and simpler than the classical linear-linear nodal scheme while sacrificing little in accuracy. Even though the new scheme is more accurate than the diamond difference scheme for the reactor problem, the results indicate that state of the art acceleration methods are needed for nodal schemes.
NASA Astrophysics Data System (ADS)
Farsi, Mohammad; Ghadimi, Parviz
2014-09-01
Main aim of this paper is to find the best combination of numerical schemes for 2-D SPH simulation of wedge water entry. Diffusion term is considered as laminar, turbulent, and artificial viscosity. Density filter that seriously affects the pressure distribution is investigated by adopting no filter, first order filter, and second order filter. Validation of the results indicates that turbulent model and first order density filter can lead to more reasonable solutions. This simulation was then conducted for wedge water entry with wide range of deadrise angles including 10 degrees, 20 degrees, 30 degrees, 45 degrees, 60 degrees and 81 degrees, with extreme deadrise angles of 10 degrees, 60 degrees and 81 degrees being considered. Comparison of SPH results with BEM solutions has displayed favorable agreement. In two particular cases where experimental data are available, the SPH results are shown to be closer to the experiments than BEM solution. While, accuracy of the obtained results for moderate deadrise angles is desirable, numerical findings for very small or very large deadrise angles are also very reasonable
NASA Technical Reports Server (NTRS)
Chakravarthy, S. R.; Osher, S.
1985-01-01
A new family of high accuracy Total Variation Diminishing (TVD) schemes has been developed. Members of the family include the conventional second-order TVD upwind scheme, various other second-order accurate TVD schemes with lower truncation error, and even a third-order accurate TVD approximation. All the schemes are defined with a five-point grid bandwidth. In this paper, the new algorithms are described for scalar equations, systems, and arbitrary coordinates. Selected numerical results are provided to illustrate the new algorithms and their properties.
On Approximate Factorization Schemes for Solving the Full Potential Equation
NASA Technical Reports Server (NTRS)
Holst, Terry L.
1997-01-01
An approximate factorization scheme based on the AF2 algorithm is presented for solving the three-dimensional full potential equation for the transonic flow about isolated wings. Two spatial discretization variations are presented, one using a hybrid first-order/second-order-accurate scheme and the second using a fully second-order-accurate scheme. The present algorithm utilizes a C-H grid topology to map the flow field about the wing. One version of the AF2 iteration scheme is used on the upper wing surface and another slightly modified version is used on the lower surface. These two algorithm variations are then connected at the wing leading edge using a local iteration technique. The resulting scheme has improved linear stability characteristics and improved time-like damping characteristics relative to previous implementations of the AF2 algorithm. The presentation is highlighted with a grid refinement study and a number of numerical results.
NASA Astrophysics Data System (ADS)
Fujita, Koki; Ichimura, Naoyuki; Hanada, Toshiya
2017-04-01
This paper presents a novel method to simultaneously detect multiple trajectories of space debris in an observation image sequence to establish a reliable model for space debris environment in Geosynchronous Earth Orbit (GEO). The debris in GEO often appear faintly in image sequences due to the high altitude. A simple but steady way to detect such faint debris is to decrease a threshold value of binarization applied to an image sequence during preprocessing. However, a low threshold value of binarization leads to extracting a large number of objects other than debris that become obstacles to detect debris trajectories. In order to detect debris from binarized image frames with massive obstacles, this work proposes a method that utilizes a cascade of numerical evaluations and a voting scheme to evaluate characteristics of the line segments obtained by connecting two image objects in different image frames, which are the candidates of debris trajectories. In the proposed method, the line segments corresponding to objects other than debris are filtered out using three types of characteristics, namely displacement, direction, and continuity. First, the displacement and direction of debris motion are evaluated to remove irrelevant trajectories. Then, the continuity of the remaining line segments is checked to find debris by counting the number of image objects appearing on or close to the line segments. Since checking the continuity can be regarded as a voting scheme, the proposed cascade algorithm can take advantage of the properties of voting method such as the Hough transform, i.e., the robustness against heavy noises and clutters, and ability of detecting multiple trajectories simultaneously. The experimental tests using real image sequences obtained in a past observation campaign demonstrate the effectiveness of the proposed method.
The Implicit and Explicit alpha-mu Schemes
NASA Technical Reports Server (NTRS)
Chang, Sin-Chung; Himansu, Ananda
1997-01-01
Artificial numerical dissipation is an important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The method of space-time conservation element and solution element, currently under development, is a nontraditional numerical method for solving conservation laws. The method is developed on the basis of local and global flux conservation in a space-time domain, in which space and time are treated in a unified manner. Explicit solvers for model and fluid dynamic conservation laws have previously been investigated. In this paper, we introduce a new concept in the design of implicit schemes, and use it to construct two highly accurate solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to purely inviscid (convective) equations. The stability and consistency of the schemes are analyzed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme. We also construct an explicit solver
Liu, Fang; Lin, Lin; Vigil-Fowler, Derek; Lischner, Johannes; Kemper, Alexander F.; Sharifzadeh, Sahar; Jornada, Felipe H. da; Deslippe, Jack; Yang, Chao; and others
2015-04-01
We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in Green's function first, replaces the numerator of the integrand with a piecewise polynomial approximation, and performs principal value integration on subintervals analytically. We give the error bound of our numerical integration scheme and show by numerical examples that it is more reliable and accurate than the standard quadrature rules such as the composite trapezoidal rule. We also discuss the benefit of using different self energy expressions to perform the numerical convolution at different frequencies.
On the accurate simulation of tsunami wave propagation
NASA Astrophysics Data System (ADS)
Castro, C. E.; Käser, M.; Toro, E. F.
2009-04-01
A very important part of any tsunami early warning system is the numerical simulation of the wave propagation in the open sea and close to geometrically complex coastlines respecting bathymetric variations. Here we are interested in improving the numerical tools available to accurately simulate tsunami wave propagation on a Mediterranean basin scale. To this end, we need to accomplish some targets, such as: high-order numerical simulation in space and time, preserve steady state conditions to avoid spurious oscillations and describe complex geometries due to bathymetry and coastlines. We use the Arbitrary accuracy DERivatives Riemann problem method together with Finite Volume method (ADER-FV) over non-structured triangular meshes. The novelty of this method is the improvement of the ADER-FV scheme, introducing the well-balanced property when geometrical sources are considered for unstructured meshes and arbitrary high-order accuracy. In a previous work from Castro and Toro [1], the authors mention that ADER-FV schemes approach asymptotically the well-balanced condition, which was true for the test case mentioned in [1]. However, new evidence[2] shows that for real scale problems as the Mediterranean basin, and considering realistic bathymetry as ETOPO-2[3], this asymptotic behavior is not enough. Under these realistic conditions the standard ADER-FV scheme fails to accurately describe the propagation of gravity waves without being contaminated with spurious oscillations, also known as numerical waves. The main problem here is that at discrete level, i.e. from a numerical point of view, the numerical scheme does not correctly balance the influence of the fluxes and the sources. Numerical schemes that retain this balance are said to satisfy the well-balanced property or the exact C-property. This unbalance reduces, as we refine the spatial discretization or increase the order of the numerical method. However, the computational cost increases considerably this way
Implicit TVD schemes for hyperbolic conservation laws in curvilinear coordinates
NASA Technical Reports Server (NTRS)
Yee, H. C.; Harten, A.
1985-01-01
The Harten (1983, 1984) total variation-diminishing (TVD) schemes, constituting a one-parameter explicit and implicit, second-order-accurate family, have the property of not generating spurious oscillations when applied to one-dimensional, nonlinear scalar hyperbolic conservation laws and constant coefficient hyperbolic systems. These methods are presently extended to the multidimensional hyperbolic conservation laws in curvilinear coordinates. Means by which to linearize the implicit operator and solution strategies, in order to improve the computation efficiency of the implicit algorithm, are discussed. Numerical experiments with steady state airfoil calculations indicate that the proposed linearized implicit TVD schemes are accurate and robust.
vom Saal, Frederick S; Welshons, Wade V
2014-12-01
There is extensive evidence that bisphenol A (BPA) is related to a wide range of adverse health effects based on both human and experimental animal studies. However, a number of regulatory agencies have ignored all hazard findings. Reports of high levels of unconjugated (bioactive) serum BPA in dozens of human biomonitoring studies have also been rejected based on the prediction that the findings are due to assay contamination and that virtually all ingested BPA is rapidly converted to inactive metabolites. NIH and industry-sponsored round robin studies have demonstrated that serum BPA can be accurately assayed without contamination, while the FDA lab has acknowledged uncontrolled assay contamination. In reviewing the published BPA biomonitoring data, we find that assay contamination is, in fact, well controlled in most labs, and cannot be used as the basis for discounting evidence that significant and virtually continuous exposure to BPA must be occurring from multiple sources.
vom Saal, Frederick S.; Welshons, Wade V.
2016-01-01
There is extensive evidence that bisphenol A (BPA) is related to a wide range of adverse health effects based on both human and experimental animal studies. However, a number of regulatory agencies have ignored all hazard findings. Reports of high levels of unconjugated (bioactive) serum BPA in dozens of human biomonitoring studies have also been rejected based on the prediction that the findings are due to assay contamination and that virtually all ingested BPA is rapidly converted to inactive metabolites. NIH and industry-sponsored round robin studies have demonstrated that serum BPA can be accurately assayed without contamination, while the FDA lab has acknowledged uncontrolled assay contamination. In reviewing the published BPA biomonitoring data, we find that assay contamination is, in fact, well controlled in most labs, and cannot be used as the basis for discounting evidence that significant and virtually continuous exposure to BPA must be occurring from multiple sources. PMID:25304273
Practical aspects of spatially high accurate methods
NASA Technical Reports Server (NTRS)
Godfrey, Andrew G.; Mitchell, Curtis R.; Walters, Robert W.
1992-01-01
The computational qualities of high order spatially accurate methods for the finite volume solution of the Euler equations are presented. Two dimensional essentially non-oscillatory (ENO), k-exact, and 'dimension by dimension' ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy, computational cost and oscillatory behavior in supersonic flows with shocks. Inherent steady state convergence difficulties are demonstrated for adaptive stencil algorithms. An exact solution to the heat equation is used to determine reconstruction error, and the computational intensity is reflected in operation counts. Standard MUSCL differencing is included for comparison. Numerical experiments presented include the Ringleb flow for numerical accuracy and a shock reflection problem. A vortex-shock interaction demonstrates the ability of the ENO scheme to excel in simulating unsteady high-frequency flow physics.
Compact-reconstruction weighted essentially non-oscillatory schemes for hyperbolic conservation laws
NASA Astrophysics Data System (ADS)
Ghosh, Debojyoti
A new class of non-linear compact interpolation schemes is introduced in this dissertation that have a high spectral resolution and are non-oscillatory across discontinuities. The Compact-Reconstruction Weighted Essentially Non-Oscillatory (CRWENO) schemes use a solution-dependent combination of lower-order compact schemes to yield a high-order accurate, non-oscillatory scheme. Fifth-order accurate CRWENO schemes are constructed and their numerical properties are analyzed. These schemes have lower absolute errors and higher spectral resolution than the WENO scheme of the same order. The schemes are applied to scalar conservation laws and the Euler equations of fluid dynamics. The order of convergence and the higher accuracy of the CRWENO schemes are verified for smooth solutions. Significant improvements are observed in the resolution of discontinuities and extrema as well as the preservation of flow features over large convection distances. The computational cost of the CRWENO schemes is assessed and the reduced error in the solution outweighs the additional expense of the implicit scheme, thus resulting in higher numerical efficiency. This conclusion extends to the reconstruction of conserved and primitive variables for the Euler equations, but not to the characteristic-based reconstruction. Further improvements are observed in the accuracy and resolution of the schemes with alternative formulations for the non-linear weights. The CRWENO schemes are integrated into a structured, finite-volume Navier-Stokes solver and applied to problems of practical relevance. Steady and unsteady flows around airfoils are solved to validate the scheme for curvi-linear grids, as well as overset grids with relative motion. The steady flow around a three-dimensional wing and the unsteady flow around a full-scale rotor are solved. It is observed that though lower-order schemes suffice for the accurate prediction of aerodynamic forces, the CRWENO scheme yields improved resolution of
The upwind control volume scheme for unstructured triangular grids
NASA Technical Reports Server (NTRS)
Giles, Michael; Anderson, W. Kyle; Roberts, Thomas W.
1989-01-01
A new algorithm for the numerical solution of the Euler equations is presented. This algorithm is particularly suited to the use of unstructured triangular meshes, allowing geometric flexibility. Solutions are second-order accurate in the steady state. Implementation of the algorithm requires minimal grid connectivity information, resulting in modest storage requirements, and should enhance the implementation of the scheme on massively parallel computers. A novel form of upwind differencing is developed, and is shown to yield sharp resolution of shocks. Two new artificial viscosity models are introduced that enhance the performance of the new scheme. Numerical results for transonic airfoil flows are presented, which demonstrate the performance of the algorithm.
Ahmed, Mahmoud; Eslamian, Morteza
2015-12-01
Laminar natural convection in differentially heated (β = 0°, where β is the inclination angle), inclined (β = 30° and 60°), and bottom-heated (β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.
NASA Astrophysics Data System (ADS)
Ahmed, Mahmoud; Eslamian, Morteza
2015-07-01
Laminar natural convection in differentially heated ( β = 0°, where β is the inclination angle), inclined ( β = 30° and 60°), and bottom-heated ( β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.
Efficient Low Dissipative High Order Schemes for Multiscale MHD Flows
NASA Technical Reports Server (NTRS)
Sjoegreen, Bjoern; Yee, Helen C.; Mansour, Nagi (Technical Monitor)
2002-01-01
Accurate numerical simulations of complex multiscale compressible viscous flows, especially high speed turbulence combustion and acoustics, demand high order schemes with adaptive numerical dissipation controls. Standard high resolution shock-capturing methods are too dissipative to capture the small scales and/or long-time wave propagations without extreme grid refinements and small time steps. An integrated approach for the control of numerical dissipation in high order schemes for the compressible Euler and Navier-Stokes equations has been developed and verified by the authors and collaborators. These schemes are suitable for the problems in question. Basically, the scheme consists of sixth-order or higher non-dissipative spatial difference operators as the base scheme. To control the amount of numerical dissipation, multiresolution wavelets are used as sensors to adaptively limit the amount and to aid the selection and/or blending of the appropriate types of numerical dissipation to be used. Magnetohydrodynamics (MHD) waves play a key role in drag reduction in highly maneuverable high speed combat aircraft, in space weather forecasting, and in the understanding of the dynamics of the evolution of our solar system and the main sequence stars. Although there exist a few well-studied second and third-order high-resolution shock-capturing schemes for the MHD in the literature, these schemes are too diffusive and not practical for turbulence/combustion MHD flows. On the other hand, extension of higher than third-order high-resolution schemes to the MHD system of equations is not straightforward. Unlike the hydrodynamic equations, the inviscid MHD system is non-strictly hyperbolic with non-convex fluxes. The wave structures and shock types are different from their hydrodynamic counterparts. Many of the non-traditional hydrodynamic shocks are not fully understood. Consequently, reliable and highly accurate numerical schemes for multiscale MHD equations pose a great
High order well-balanced schemes
Noelle, Sebastian; Xing, Yulong; Shu, Chi-wang
2010-01-01
In this paper the authors review some recent work on high-order well-balanced schemes. A characteristic feature of hyperbolic systems of balance laws is the existence of non-trivial equilibrium solutions, where the effects of convective fluxes and source terms cancel each other. Well-balanced schemes satisfy a discrete analogue of this balance and are therefore able to maintain an equilibrium state. They discuss two classes of schemes, one based on high-order accurate, non-oscillatory finite difference operators which are well-balanced for a general class of equilibria, and the other one based on well-balanced quadratures, which can - in principle - be applied to all equilibria. Applications include equilibria at rest, where the flow velocity vanishes, and also the more challenging moving flow equilibria. Numerical experiments show excellent resolution of unperturbed as well as slightly perturbed equilibria.
Accurate upwind methods for the Euler equations
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1993-01-01
A new class of piecewise linear methods for the numerical solution of the one-dimensional Euler equations of gas dynamics is presented. These methods are uniformly second-order accurate, and can be considered as extensions of Godunov's scheme. With an appropriate definition of monotonicity preservation for the case of linear convection, it can be shown that they preserve monotonicity. Similar to Van Leer's MUSCL scheme, they consist of two key steps: a reconstruction step followed by an upwind step. For the reconstruction step, a monotonicity constraint that preserves uniform second-order accuracy is introduced. Computational efficiency is enhanced by devising a criterion that detects the 'smooth' part of the data where the constraint is redundant. The concept and coding of the constraint are simplified by the use of the median function. A slope steepening technique, which has no effect at smooth regions and can resolve a contact discontinuity in four cells, is described. As for the upwind step, existing and new methods are applied in a manner slightly different from those in the literature. These methods are derived by approximating the Euler equations via linearization and diagonalization. At a 'smooth' interface, Harten, Lax, and Van Leer's one intermediate state model is employed. A modification for this model that can resolve contact discontinuities is presented. Near a discontinuity, either this modified model or a more accurate one, namely, Roe's flux-difference splitting. is used. The current presentation of Roe's method, via the conceptually simple flux-vector splitting, not only establishes a connection between the two splittings, but also leads to an admissibility correction with no conditional statement, and an efficient approximation to Osher's approximate Riemann solver. These reconstruction and upwind steps result in schemes that are uniformly second-order accurate and economical at smooth regions, and yield high resolution at discontinuities.
A high-order accurate embedded boundary method for first order hyperbolic equations
NASA Astrophysics Data System (ADS)
Mattsson, Ken; Almquist, Martin
2017-04-01
A stable and high-order accurate embedded boundary method for first order hyperbolic equations is derived. Where the grid-boundaries and the physical boundaries do not coincide, high order interpolation is used. The boundary stencils are based on a summation-by-parts framework, and the boundary conditions are imposed by the SAT penalty method, which guarantees linear stability for one-dimensional problems. Second-, fourth-, and sixth-order finite difference schemes are considered. The resulting schemes are fully explicit. Accuracy and numerical stability of the proposed schemes are demonstrated for both linear and nonlinear hyperbolic systems in one and two spatial dimensions.
NASA Astrophysics Data System (ADS)
Mihailović, Dragutin T.; Rajković, Borivoj; Dekić, Ljiljana; Pielke, Roger A.; Lee, Tsengdar J.; Ye, Zhuojia
1995-11-01
Parameterization of evaporation from a non-plant-covered surface is very important in the hierarchy strategy of modelling land surface processes. One of the representations frequently used in its computation is the resistance formulation. The performance of the evaporation schemes using the “α”, “β”, and their combination resistance approaches to parameterize evaporation from bare soil surfaces is discussed. For that purpose, the nine schemes, based on a different dependence of α and β on volumetric soil moisture content and its saturated value, are used. The tests of performances of the considered schemes are based on time integrations by the land surface module (BARESOIL) using observed data. The 23 data sets at a bare surface experimental site in Rimski Šančevi, Yugoslavia on chernozem soil, were used for the resistance algorithm evaluation. The quality of the schemes was compared with the observed values of the latent heat flux using several statistical parameters.
Implicit Total Variation Diminishing (TVD) schemes for steady-state calculations
NASA Technical Reports Server (NTRS)
Yee, H. C.; Warming, R. F.; Harten, A.
1983-01-01
The application of a new implicit unconditionally stable high resolution total variation diminishing (TVD) scheme to steady state calculations. It is a member of a one parameter family of explicit and implicit second order accurate schemes developed by Harten for the computation of weak solutions of hyperbolic conservation laws. This scheme is guaranteed not to generate spurious oscillations for a nonlinear scalar equation and a constant coefficient system. Numerical experiments show that this scheme not only has a rapid convergence rate, but also generates a highly resolved approximation to the steady state solution. A detailed implementation of the implicit scheme for the one and two dimensional compressible inviscid equations of gas dynamics is presented. Some numerical computations of one and two dimensional fluid flows containing shocks demonstrate the efficiency and accuracy of this new scheme.
NASA Astrophysics Data System (ADS)
Kang, I. S.; Leal, L. G.
1987-07-01
A numerical technique for solving axisymmetric, unsteady free-boundary problems in fluid mechanics is presented. This finite-difference method is a generalization of the steady algorithm reported by Ryskin and Leal (1984). In this scheme, all boundary surfaces of the solution domain at any time coincide exactly with a coordinate line of a numerically generated orthogonal coordinate system. Thus, unreasonable grid deformation during calculation is not a problem. A transient algorithm for applying the orthogonal mapping technique to unsteady free-boundary problems is developed. The unsteady deformation of a bubble in a uniaxial extensional flow for Reynolds numbers between 0.1 and 100 is considered as an example.
Comparison of horizontal difference schemes for the shallow water equations on a sphere
NASA Technical Reports Server (NTRS)
Russell, Gary L.; Takano, Kenji; Abramopoulos, Frank
1987-01-01
The accuracy of horizontal difference schemes used in the hydrodynamics parts of General Circulation Models are compared by means of numerical experiments for the shallow water equations on a sphere. As expected, the phase lag of moving waves decreases as the order of accuracy of a scheme increases or as the grid resolution increases. Overall, Takano and Wurtele's partial fourth order energy and potential enstrophy conserving scheme on the C grid is most accurate. It is clearly superior to the other schemes for the Rossby-Haurwitz wave number 6 initial conditions for coarse grid resolution.
NASA Astrophysics Data System (ADS)
Hariprasad, K. B. R. R.; Srinivas, C. V.; Singh, A. Bagavath; Vijaya Bhaskara Rao, S.; Baskaran, R.; Venkatraman, B.
2014-08-01
In this study the performance of seven PBL parameterizations in the Weather Research and Forecast (WRF-ARW) mesoscale model was tested at the tropical site Kalpakkam. Meteorological observations collected during an intense observation campaign for wind field modeling called Round Robin Exercise (RRE) were used for comparison. High resolution simulations were conducted for a warm summer condition on 22-24 September 2010. The observations included GPS Sonde vertical profiles, surface level data from meteorological towers and turbulent fluxes from sonic anemometers. Sensitivity experiments with seven PBL schemes [Mellor-Yamada-Janjic (MYJ), Mellor-Yamada-Nakanishi-Niino (MYNN), Quasi Normal Scale Elimination (QNSE), Yonsei University (YSU), Asymmetric Convective Model (ACM2), Bougeault-Lacarrére (BL), Bretherton-Park (UW)] indicated that while all the schemes similarly produced the stable boundary layer characteristics there were large differences in the convective daytime PBL. It has been found that while ACM2 and QNSE produced highly unstable and deep convective layers, the UW produced relatively shallow mixed layer and all other schemes (YSU, MYNN, MYJ, BL) produced intermediately deep convective layers. All the schemes well produced the vertical wind directional shear within the PBL. A wide variation in the eddy diffusivities was simulated by different PBL schemes in convective daytime condition. ACM2 and UW produced excessive diffusivities which led to relatively weaker winds, warmer and dryer mixed layers with these schemes. Overall the schemes MYNN and YSU simulated the various PBL quantities in better agreement with observations. The differences in the simulated PBL structures could be partly due to various surface layer formulations that produced variation in friction velocity and heat fluxes in each case.
Relaxation schemes for Chebyshev spectral multigrid methods
NASA Technical Reports Server (NTRS)
Kang, Yimin; Fulton, Scott R.
1993-01-01
Two relaxation schemes for Chebyshev spectral multigrid methods are presented for elliptic equations with Dirichlet boundary conditions. The first scheme is a pointwise-preconditioned Richardson relaxation scheme and the second is a line relaxation scheme. The line relaxation scheme provides an efficient and relatively simple approach for solving two-dimensional spectral equations. Numerical examples and comparisons with other methods are given.
Accurate derivative evaluation for any Grad–Shafranov solver
Ricketson, L.F.; Cerfon, A.J.; Rachh, M.; Freidberg, J.P.
2016-01-15
We present a numerical scheme that can be combined with any fixed boundary finite element based Poisson or Grad–Shafranov solver to compute the first and second partial derivatives of the solution to these equations with the same order of convergence as the solution itself. At the heart of our scheme is an efficient and accurate computation of the Dirichlet to Neumann map through the evaluation of a singular volume integral and the solution to a Fredholm integral equation of the second kind. Our numerical method is particularly useful for magnetic confinement fusion simulations, since it allows the evaluation of quantities such as the magnetic field, the parallel current density and the magnetic curvature with much higher accuracy than has been previously feasible on the affordable coarse grids that are usually implemented.
NASA Technical Reports Server (NTRS)
Vatsa, Veer N.; Carpenter, Mark H.; Lockard, David P.
2009-01-01
Recent experience in the application of an optimized, second-order, backward-difference (BDF2OPT) temporal scheme is reported. The primary focus of the work is on obtaining accurate solutions of the unsteady Reynolds-averaged Navier-Stokes equations over long periods of time for aerodynamic problems of interest. The baseline flow solver under consideration uses a particular BDF2OPT temporal scheme with a dual-time-stepping algorithm for advancing the flow solutions in time. Numerical difficulties are encountered with this scheme when the flow code is run for a large number of time steps, a behavior not seen with the standard second-order, backward-difference, temporal scheme. Based on a stability analysis, slight modifications to the BDF2OPT scheme are suggested. The performance and accuracy of this modified scheme is assessed by comparing the computational results with other numerical schemes and experimental data.
Numerical Dissipation and Wrong Propagation Speed of Discontinuities for Stiff Source Terms
NASA Technical Reports Server (NTRS)
Yee, H. C.; Kotov, D. V.; Sjoegreen, B.
2012-01-01
In compressible turbulent combustion/nonequilibrium flows, the constructions of numerical schemes for (a) stable and accurate simulation of turbulence with strong shocks, and (b) obtaining correct propagation speed of discontinuities for stiff reacting terms on coarse grids share one important ingredient - minimization of numerical dissipation while maintaining numerical stability. Here coarse grids means standard mesh density requirement for accurate simulation of typical non-reacting flows. This dual requirement to achieve both numerical stability and accuracy with zero or minimal use of numerical dissipation is most often conflicting for existing schemes that were designed for non-reacting flows. The goal of this paper is to relate numerical dissipations that are inherited in a selected set of high order shock-capturing schemes with the onset of wrong propagation speed of discontinuities as a function of stiffness of the source term and the grid spacing.
Numerical Dissipation and Wrong Propagation Speed of Discontinuities for Stiff Source Terms
NASA Technical Reports Server (NTRS)
Yee, H. C.; Kotov, D. V.; Sjogreen, B.
2011-01-01
In compressible turbulent combustion/nonequilibrium flows, the constructions of numerical schemes for (a) stable and accurate simulation of turbulence with strong shocks, and (b) obtaining correct propagation speed of discontinuities for stiff reacting terms on coarse grids share one important ingredient - minimization of numerical dissipation while maintaining numerical stability. Here coarse grids means standard mesh density requirement for accurate simulation of typical non-reacting flows. This dual requirement to achieve both numerical stability and accuracy with zero or minimal use of numerical dissipation is most often conflicting for existing schemes that were designed for non-reacting flows. The goal of this paper is to relate numerical dissipations that are inherited in a selected set of high order shock-capturing schemes with the onset of wrong propagation speed of discontinuities for two representative stiff detonation wave problems.
Douglas W. Marshall; Changhu Xing; Charles Folsom; Colby Jensen; Heng Ban
2014-05-01
As an important factor affecting the accuracy of the thermal conductivity measurement, systematic (bias) error in the guarded comparative axial heat flow (cut-bar) method was mostly neglected by previous researches. This bias is due primarily to the thermal conductivity mismatch between sample and meter bars (reference), which is common for a sample of unknown thermal conductivity. A correction scheme, based on a finite element simulation of the measurement system, was proposed to reduce the magnitude of the overall measurement uncertainty. This scheme was experimentally validated by applying corrections on four types of sample measurements in which the specimen thermal conductivity is much smaller, slightly smaller, equal and much larger than that of the meter bar. As an alternative to the optimum guarding technique proposed before, the correction scheme can be used to minimize uncertainty contribution from the measurement system with non-optimal guarding conditions. It is especially necessary for large thermal conductivity mismatches between sample and meter bars.
Cerimele; Chiofalo; Pistella; Succi; Tosi
2000-07-01
We present the application of a fast, explicit time-marching scheme for the solution of the Gross-Pitaevskii equation in cylindrical geometry. The scheme is validated on simple analytical tests and demonstrated for two situations of physical interest in experiments on the Bose-Einstein condensation (BEC) of trapped alkali-metal vapors. It is tested by reproducing known results on the free expansion of a BEC after removing a cylindrical trap, and it is then used to address the formation of matter-wave pulses that result from gravity-induced transport of a condensate in an optical potential.
A Split-Step Scheme for the Incompressible Navier-Stokes
Henshaw, W; Petersson, N A
2001-06-12
We describe a split-step finite-difference scheme for solving the incompressible Navier-Stokes equations on composite overlapping grids. The split-step approach decouples the solution of the velocity variables from the solution of the pressure. The scheme is based on the velocity-pressure formulation and uses a method of lines approach so that a variety of implicit or explicit time stepping schemes can be used once the equations have been discretized in space. We have implemented both second-order and fourth-order accurate spatial approximations that can be used with implicit or explicit time stepping methods. We describe how to choose appropriate boundary conditions to make the scheme accurate and stable. A divergence damping term is added to the pressure equation to keep the numerical dilatation small. Several numerical examples are presented.
NASA Technical Reports Server (NTRS)
Jameson, Antony
1994-01-01
The theory of non-oscillatory scalar schemes is developed in this paper in terms of the local extremum diminishing (LED) principle that maxima should not increase and minima should not decrease. This principle can be used for multi-dimensional problems on both structured and unstructured meshes, while it is equivalent to the total variation diminishing (TVD) principle for one-dimensional problems. A new formulation of symmetric limited positive (SLIP) schemes is presented, which can be generalized to produce schemes with arbitrary high order of accuracy in regions where the solution contains no extrema, and which can also be implemented on multi-dimensional unstructured meshes. Systems of equations lead to waves traveling with distinct speeds and possibly in opposite directions. Alternative treatments using characteristic splitting and scalar diffusive fluxes are examined, together with modification of the scalar diffusion through the addition of pressure differences to the momentum equations to produce full upwinding in supersonic flow. This convective upwind and split pressure (CUSP) scheme exhibits very rapid convergence in multigrid calculations of transonic flow, and provides excellent shock resolution at very high Mach numbers.
Improved numerical methods for turbulent viscous recirculating flows
NASA Technical Reports Server (NTRS)
Turan, A.
1985-01-01
The hybrid-upwind finite difference schemes employed in generally available combustor codes possess excessive numerical diffusion errors which preclude accurate quantative calculations. The present study has as its primary objective the identification and assessment of an improved solution algorithm as well as discretization schemes applicable to analysis of turbulent viscous recirculating flows. The assessment is carried out primarily in two dimensional/axisymetric geometries with a view to identifying an appropriate technique to be incorporated in a three-dimensional code.
Numerical approaches to simulation of multi-core fibers
NASA Astrophysics Data System (ADS)
Chekhovskoy, I. S.; Paasonen, V. I.; Shtyrina, O. V.; Fedoruk, M. P.
2017-04-01
We propose generalizations of two numerical algorithms to solve the system of linearly coupled nonlinear Schrödinger equations (NLSEs) describing the propagation of light pulses in multi-core optical fibers. An iterative compact dissipative second-order accurate in space and fourth-order accurate in time scheme is the first numerical method. This compact scheme has strong stability due to inclusion of the additional dissipative term. The second algorithm is a generalization of the split-step Fourier method based on Padé approximation of the matrix exponential. We compare a computational efficiency of both algorithms and show that the compact scheme is more efficient in terms of performance for solving a large system of coupled NLSEs. We also present the parallel implementation of the numerical algorithms for shared memory systems using OpenMP.
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.
A double shooting scheme for certain unstable and singular boundary value problems
NASA Technical Reports Server (NTRS)
Bayliss, A.
1978-01-01
A scheme is presented to obtain the unique bounded solution for an exponentially unstable linear system. The scheme consists of choosing random data at large initial values and integrating forwards and backwards until accurate regular boundary values are obtained. Proofs of convergence are given for the case that the homogeneous equation has an exponential dichotomy. Applications to other types of problems are discussed and numerical results are presented.
Numerical simulation of second-order hyperbolic telegraph type equations with variable coefficients
NASA Astrophysics Data System (ADS)
Pandit, Sapna; Kumar, Manoj; Tiwari, Surabhi
2015-02-01
In this article, the authors proposed a numerical scheme based on Crank-Nicolson finite difference scheme and Haar wavelets to find numerical solutions of different types of second order hyperbolic telegraph equations (i.e. telegraph equation with constant coefficients, with variable coefficients, and singular telegraph equation). This work is an extension of the scheme by Jiwari (2012) for hyperbolic equations. The use of Haar basis function is made with multiresolution analysis to get the fast and accurate results on collocation points. The convergence of the proposed scheme is proved by doing its error analysis. Four test examples are considered to demonstrate the accuracy and efficiency of the scheme. The scheme is easy and very suitable for computer implementation and provides numerical solutions close to the exact solutions and available in the literature.
An Improved Lattice Kinetic Scheme for Incompressible Viscous Fluid Flows
NASA Astrophysics Data System (ADS)
Suzuki, Kosuke; Inamuro, Takaji
2014-01-01
The lattice Boltzmann method (LBM) is an explicit numerical scheme for the incompressible Navier-Stokes equations (INSE) without integrating the Poisson equation for the pressure. In spite of its merit, the LBM has some drawbacks in accuracy. First, we review drawbacks for three numerical methods based on the LBM. The three methods are the LBM with the Bhatnagar-Gross-Krook model (LBGK), the lattice kinetic scheme (LKS) and the link-wise artificial compressibility method (LWACM). Second, in order to remedy the drawbacks, we propose an improved LKS. The present method incorporates (i) the scheme used in the LWACM for determining the kinematic viscosity, (ii) an iterative calculation of the pressure and (iii) a semi-implicit algorithm, while preserving the simplicity of the algorithm of the original LKS. Finally, in simulations of test problems, we find that the improved LKS eliminates the drawbacks and gives more accurate and stable results than LBGK, LKS and LWACM.
Efficient scheme for parametric fitting of data in arbitrary dimensions.
Pang, Ning-Ning; Tzeng, Wen-Jer; Kao, Hisen-Ching
2008-07-01
We propose an efficient scheme for parametric fitting expressed in terms of the Legendre polynomials. For continuous systems, our scheme is exact and the derived explicit expression is very helpful for further analytical studies. For discrete systems, our scheme is almost as accurate as the method of singular value decomposition. Through a few numerical examples, we show that our algorithm costs much less CPU time and memory space than the method of singular value decomposition. Thus, our algorithm is very suitable for a large amount of data fitting. In addition, the proposed scheme can also be used to extract the global structure of fluctuating systems. We then derive the exact relation between the correlation function and the detrended variance function of fluctuating systems in arbitrary dimensions and give a general scaling analysis.
Accurate modelling of unsteady flows in collapsible tubes.
Marchandise, Emilie; Flaud, Patrice
2010-01-01
The context of this paper is the development of a general and efficient numerical haemodynamic tool to help clinicians and researchers in understanding of physiological flow phenomena. We propose an accurate one-dimensional Runge-Kutta discontinuous Galerkin (RK-DG) method coupled with lumped parameter models for the boundary conditions. The suggested model has already been successfully applied to haemodynamics in arteries and is now extended for the flow in collapsible tubes such as veins. The main difference with cardiovascular simulations is that the flow may become supercritical and elastic jumps may appear with the numerical consequence that scheme may not remain monotone if no limiting procedure is introduced. We show that our second-order RK-DG method equipped with an approximate Roe's Riemann solver and a slope-limiting procedure allows us to capture elastic jumps accurately. Moreover, this paper demonstrates that the complex physics associated with such flows is more accurately modelled than with traditional methods such as finite difference methods or finite volumes. We present various benchmark problems that show the flexibility and applicability of the numerical method. Our solutions are compared with analytical solutions when they are available and with solutions obtained using other numerical methods. Finally, to illustrate the clinical interest, we study the emptying process in a calf vein squeezed by contracting skeletal muscle in a normal and pathological subject. We compare our results with experimental simulations and discuss the sensitivity to parameters of our model.
Trefftz difference schemes on irregular stencils
Tsukerman, Igor
2010-04-20
The recently developed Flexible Local Approximation MEthod (FLAME) produces accurate difference schemes by replacing the usual Taylor expansion with Trefftz functions - local solutions of the underlying differential equation. This paper advances and casts in a general form a significant modification of FLAME proposed recently by Pinheiro and Webb: a least-squares fit instead of the exact match of the approximate solution at the stencil nodes. As a consequence of that, FLAME schemes can now be generated on irregular stencils with the number of nodes substantially greater than the number of approximating functions. The accuracy of the method is preserved but its robustness is improved. For demonstration, the paper presents a number of numerical examples in 2D and 3D: electrostatic (magnetostatic) particle interactions, scattering of electromagnetic (acoustic) waves, and wave propagation in a photonic crystal. The examples explore the role of the grid and stencil size, of the number of approximating functions, and of the irregularity of the stencils.
Multigrid solutions to quasi-elliptic schemes
NASA Technical Reports Server (NTRS)
Brandt, A.; Taasan, S.
1985-01-01
Quasi-elliptic schemes arise from central differencing or finite element discretization of elliptic systems with odd order derivatives on non-staggered grids. They are somewhat unstable and less accurate then corresponding staggered-grid schemes. When usual multigrid solvers are applied to them, the asymptotic algebraic convergence is necessarily slow. Nevertheless, it is shown by mode analyses and numerical experiments that the usual FMG algorithm is very efficient in solving quasi-elliptic equations to the level of truncation errors. Also, a new type of multigrid algorithm is presented, mode analyzed and tested, for which even the asymptotic algebraic convergence is fast. The essence of that algorithm is applicable to other kinds of problems, including highly indefinite ones.
Linearized Implicit Numerical Method for Burgers' Equation
NASA Astrophysics Data System (ADS)
Mukundan, Vijitha; Awasthi, Ashish
2016-12-01
In this work, a novel numerical scheme based on method of lines (MOL) is proposed to solve the nonlinear time dependent Burgers' equation. The Burgers' equation is semi discretized in spatial direction by using MOL to yield system of nonlinear ordinary differential equations in time. The resulting system of nonlinear differential equations is integrated by an implicit finite difference method. We have not used Cole-Hopf transformation which gives less accurate solution for very small values of kinematic viscosity. Also, we have not considered nonlinear solvers that are computationally costlier and take more running time.In the proposed scheme nonlinearity is tackled by Taylor series and the use of fully discretized scheme is easy and practical. The proposed method is unconditionally stable in the linear sense. Furthermore, efficiency of the proposed scheme is demonstrated using three test problems.
Accurate thermoplasmonic simulation of metallic nanoparticles
NASA Astrophysics Data System (ADS)
Yu, Da-Miao; Liu, Yan-Nan; Tian, Fa-Lin; Pan, Xiao-Min; Sheng, Xin-Qing
2017-01-01
Thermoplasmonics leads to enhanced heat generation due to the localized surface plasmon resonances. The measurement of heat generation is fundamentally a complicated task, which necessitates the development of theoretical simulation techniques. In this paper, an efficient and accurate numerical scheme is proposed for applications with complex metallic nanostructures. Light absorption and temperature increase are, respectively, obtained by solving the volume integral equation (VIE) and the steady-state heat diffusion equation through the method of moments (MoM). Previously, methods based on surface integral equations (SIEs) were utilized to obtain light absorption. However, computing light absorption from the equivalent current is as expensive as O(NsNv), where Ns and Nv, respectively, denote the number of surface and volumetric unknowns. Our approach reduces the cost to O(Nv) by using VIE. The accuracy, efficiency and capability of the proposed scheme are validated by multiple simulations. The simulations show that our proposed method is more efficient than the approach based on SIEs under comparable accuracy, especially for the case where many incidents are of interest. The simulations also indicate that the temperature profile can be tuned by several factors, such as the geometry configuration of array, beam direction, and light wavelength.
A fully implicit scheme for the barotropic primitive equations
NASA Technical Reports Server (NTRS)
Cohn, S. E.; Dee, D.; Marchesin, D.; Isaacson, E.; Zwas, G.
1985-01-01
An efficient implicit finite-difference method is developed and tested for a global barotropic model. The scheme requires, at each time step, the solution of only one-dimensional block-tridiagonal linear systems. This additional computation is offset by the use of a time step chosen independently of the mesh spacing. The method is second-order accurate in time and fourth-order accurate in space. Present experience indicates that this implicit method is practical for numerical simulation on fine meshes.
High-resolution schemes for hyperbolic conservation laws
NASA Technical Reports Server (NTRS)
Harten, A.
1982-01-01
A class of new explicit second order accurate finite difference schemes for the computation of weak solutions of hyperbolic conservation laws is presented. These highly nonlinear schemes are obtained by applying a nonoscillatory first order accurae scheme to an appropriately modified flux function. The so derived second order accurate schemes achieve high resolution while preserving the robustness of the original nonoscillatory first order accurate scheme.
Accurate Evaluation of Quantum Integrals
NASA Technical Reports Server (NTRS)
Galant, D. C.; Goorvitch, D.; Witteborn, Fred C. (Technical Monitor)
1995-01-01
Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schrodinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.
NASA Technical Reports Server (NTRS)
Kiris, Cetin; Kwak, Dochan
2001-01-01
Two numerical procedures, one based on artificial compressibility method and the other pressure projection method, are outlined for obtaining time-accurate solutions of the incompressible Navier-Stokes equations. The performance of the two method are compared by obtaining unsteady solutions for the evolution of twin vortices behind a at plate. Calculated results are compared with experimental and other numerical results. For an un- steady ow which requires small physical time step, pressure projection method was found to be computationally efficient since it does not require any subiterations procedure. It was observed that the artificial compressibility method requires a fast convergence scheme at each physical time step in order to satisfy incompressibility condition. This was obtained by using a GMRES-ILU(0) solver in our computations. When a line-relaxation scheme was used, the time accuracy was degraded and time-accurate computations became very expensive.
An explicit mixed numerical method for mesoscale model
NASA Technical Reports Server (NTRS)
Hsu, H.-M.
1981-01-01
A mixed numerical method has been developed for mesoscale models. The technique consists of a forward difference scheme for time tendency terms, an upstream scheme for advective terms, and a central scheme for the other terms in a physical system. It is shown that the mixed method is conditionally stable and highly accurate for approximating the system of either shallow-water equations in one dimension or primitive equations in three dimensions. Since the technique is explicit and two time level, it conserves computer and programming resources.
High-resolution shock-capturing schemes for inviscid and viscous hypersonic flows
NASA Technical Reports Server (NTRS)
Yee, H. C.; Klopfer, G. H.; Montagne, J.-L.
1988-01-01
The development of robust, accurate, and efficient implicit shock-capturing schemes for multidimensional compressible Navier-Stokes equations in the hypersonic and real gas flow regimes is presently undertaken by extending a class of implicit total variation-diminishing (TVD) schemes suitable for transonic and supersonic, multidimensional Euler and Navier-Stokes equations to hypersonic computations. Numerical aspects of TVD schemes are identified which affect the convergence rate for hypersonic Mach numbers and real gas flows, but which have a negligible effect on low Mach number or perfect gas flows.
NASA Technical Reports Server (NTRS)
Loh, Ching Y.; Jorgenson, Philip C. E.
2007-01-01
A time-accurate, upwind, finite volume method for computing compressible flows on unstructured grids is presented. The method is second order accurate in space and time and yields high resolution in the presence of discontinuities. For efficiency, the Roe approximate Riemann solver with an entropy correction is employed. In the basic Euler/Navier-Stokes scheme, many concepts of high order upwind schemes are adopted: the surface flux integrals are carefully treated, a Cauchy-Kowalewski time-stepping scheme is used in the time-marching stage, and a multidimensional limiter is applied in the reconstruction stage. However even with these up-to-date improvements, the basic upwind scheme is still plagued by the so-called "pathological behaviors," e.g., the carbuncle phenomenon, the expansion shock, etc. A solution to these limitations is presented which uses a very simple dissipation model while still preserving second order accuracy. This scheme is referred to as the enhanced time-accurate upwind (ETAU) scheme in this paper. The unstructured grid capability renders flexibility for use in complex geometry; and the present ETAU Euler/Navier-Stokes scheme is capable of handling a broad spectrum of flow regimes from high supersonic to subsonic at very low Mach number, appropriate for both CFD (computational fluid dynamics) and CAA (computational aeroacoustics). Numerous examples are included to demonstrate the robustness of the methods.
A RANS/DES Numerical Procedure for Axisymmetric Flows with and without Strong Rotation
Andrade, Andrew Jacob
2007-01-01
A RANS/DES numerical procedure with an extended Lax-Wendroff control-volume scheme and turbulence model is described for the accurate simulation of internal/external axisymmetric flow with and without strong rotation. This new procedure is an extension, from Cartesian to cylindrical coordinates, of (1) a second order accurate multi-grid, control-volume integration scheme, and (2) a k-ω turbulence model. This paper outlines both the axisymmetric corrections to the mentioned numerical schemes and the developments of techniques pertaining to numerical dissipation, multi-block connectivity, parallelization, etc. Furthermore, analytical and experimental case studies are presented to demonstrate accuracy and computational efficiency. Notes are also made toward numerical stability of highly rotational flows.
NUMERICAL CALCULATION OF MAGNETOBREMSSTRAHLUNG EMISSION AND ABSORPTION COEFFICIENTS
Leung, Po Kin; Gammie, Charles F.; Noble, Scott C. E-mail: gammie@illinois.edu
2011-08-10
Magnetobremsstrahlung (MBS) emission and absorption play a role in many astronomical systems. We describe a general numerical scheme for evaluating MBS emission and absorption coefficients for both polarized and unpolarized light in a plasma with a general distribution function. Along the way we provide an accurate scheme for evaluating Bessel functions of high order. We use our scheme to evaluate the accuracy of earlier fitting formulae and approximations. We also provide an accurate fitting formula for mildly relativistic (kT/(m{sub e}c{sup 2}) {approx}> 0.5) thermal electron emission (and therefore absorption). Our scheme is too slow, at present, for direct use in radiative transfer calculations but will be useful for anyone seeking to fit emission or absorption coefficients in a particular regime.
Runge-Kutta methods combined with compact difference schemes for the unsteady Euler equations
NASA Technical Reports Server (NTRS)
Yu, Sheng-Tao
1992-01-01
Recent development using compact difference schemes to solve the Navier-Stokes equations show spectral-like accuracy. A study was made of the numerical characteristics of various combinations of the Runge-Kutta (RK) methods and compact difference schemes to calculate the unsteady Euler equations. The accuracy of finite difference schemes is assessed based on the evaluations of dissipative error. The objectives are reducing the numerical damping and, at the same time, preserving numerical stability. While this approach has tremendous success solving steady flows, numerical characteristics of unsteady calculations remain largely unclear. For unsteady flows, in addition to the dissipative errors, phase velocity and harmonic content of the numerical results are of concern. As a result of the discretization procedure, the simulated unsteady flow motions actually propagate in a dispersive numerical medium. Consequently, the dispersion characteristics of the numerical schemes which relate the phase velocity and wave number may greatly impact the numerical accuracy. The aim is to assess the numerical accuracy of the simulated results. To this end, the Fourier analysis is to provide the dispersive correlations of various numerical schemes. First, a detailed investigation of the existing RK methods is carried out. A generalized form of an N-step RK method is derived. With this generalized form, the criteria are derived for the three and four-step RK methods to be third and fourth-order time accurate for the non-linear equations, e.g., flow equations. These criteria are then applied to commonly used RK methods such as Jameson's 3-step and 4-step schemes and Wray's algorithm to identify the accuracy of the methods. For the spatial discretization, compact difference schemes are presented. The schemes are formulated in the operator-type to render themselves suitable for the Fourier analyses. The performance of the numerical methods is shown by numerical examples. These examples
NASA Astrophysics Data System (ADS)
Yu, Haijun; Yang, Xiaofeng
2017-04-01
We consider the numerical approximations of a two-phase hydrodynamics coupled phase-field model that incorporates the variable densities, viscosities and moving contact line boundary conditions. The model is a nonlinear, coupled system that consists of incompressible Navier-Stokes equations with the generalized Navier boundary condition, and the Cahn-Hilliard equations with moving contact line boundary conditions. By some subtle explicit-implicit treatments to nonlinear terms, we develop two efficient, unconditionally energy stable numerical schemes, in particular, a linear decoupled energy stable scheme for the system with static contact line condition, and a nonlinear energy stable scheme for the system with dynamic contact line condition. An efficient spectral-Galerkin spatial discretization is implemented to verify the accuracy and efficiency of proposed schemes. Various numerical results show that the proposed schemes are efficient and accurate.
An accurate moving boundary formulation in cut-cell methods
NASA Astrophysics Data System (ADS)
Schneiders, Lennart; Hartmann, Daniel; Meinke, Matthias; Schröder, Wolfgang
2013-02-01
A cut-cell method for Cartesian meshes to simulate viscous compressible flows with moving boundaries is presented. We focus on eliminating unphysical oscillations occurring in Cartesian grid methods extended to moving-boundary problems. In these methods, cells either lie completely in the fluid or solid region or are intersected by the boundary. For the latter cells, the time dependent volume fraction lying in the fluid region can be so small that explicit time-integration schemes become unstable and a special treatment of these cells is necessary. When the boundary moves, a fluid cell may become a cut cell or a solid cell may become a small cell at the next time level. This causes an abrupt change in the discretization operator and a suddenly modified truncation error of the numerical scheme. This temporally discontinuous alteration is shown to act like an unphysical source term, which deteriorates the numerical solution, i.e., it generates unphysical oscillations in the hydrodynamic forces exerted on the moving boundary. We develop an accurate moving boundary formulation based on the varying discretization operators yielding a cut-cell method which avoids these discontinuities. Results for canonical two- and three-dimensional test cases evidence the accuracy and robustness of the newly developed scheme.
Numerical simulations of cryogenic cavitating flows
NASA Astrophysics Data System (ADS)
Kim, Hyunji; Kim, Hyeongjun; Min, Daeho; Kim, Chongam
2015-12-01
The present study deals with a numerical method for cryogenic cavitating flows. Recently, we have developed an accurate and efficient baseline numerical scheme for all-speed water-gas two-phase flows. By extending such progress, we modify the numerical dissipations to be properly scaled so that it does not show any deficiencies in low Mach number regions. For dealing with cryogenic two-phase flows, previous EOS-dependent shock discontinuity sensing term is replaced with a newly designed EOS-free one. To validate the proposed numerical method, cryogenic cavitating flows around hydrofoil are computed and the pressure and temperature depression effect in cryogenic cavitation are demonstrated. Compared with Hord's experimental data, computed results are turned out to be satisfactory. Afterwards, numerical simulations of flow around KARI turbopump inducer in liquid rocket are carried out under various flow conditions with water and cryogenic fluids, and the difference in inducer flow physics depending on the working fluids are examined.
Accurate thermoelastic tensor and acoustic velocities of NaCl
NASA Astrophysics Data System (ADS)
Marcondes, Michel L.; Shukla, Gaurav; da Silveira, Pedro; Wentzcovitch, Renata M.
2015-12-01
Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.
Accurate thermoelastic tensor and acoustic velocities of NaCl
Marcondes, Michel L.; Shukla, Gaurav; Silveira, Pedro da; Wentzcovitch, Renata M.
2015-12-15
Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.
NASA Astrophysics Data System (ADS)
Dmitriev, A. E.; Parshkov, O. M.
2005-08-01
The transient double resonance in the Λ scheme is numerically investigated in the case of a strong inhomogeneous spectral broadening of a medium and nonzero detunings of the frequencies of interacting pulses from the central frequencies of corresponding quantum transitions. It is shown that the signal pulse efficiently interacts with the pump pulse only when a certain condition imposed on the nonzero detunings is satisfied. If this condition is strongly violated at the input to the resonance medium, only a weak field of the rear edge of the input signal pulse mainly interacts with the pump field. In this case, two pulses with different frequencies are formed in the signal channel. This is explained by the specific interaction of radiation with Doppler-broadened quantum transitions.
A generic efficient adaptive grid scheme for rocket propulsion modeling
NASA Technical Reports Server (NTRS)
Mo, J. D.; Chow, Alan S.
1993-01-01
The objective of this research is to develop an efficient, time-accurate numerical algorithm to discretize the Navier-Stokes equations for the predictions of internal one-, two-dimensional and axisymmetric flows. A generic, efficient, elliptic adaptive grid generator is implicitly coupled with the Lower-Upper factorization scheme in the development of ALUNS computer code. The calculations of one-dimensional shock tube wave propagation and two-dimensional shock wave capture, wave-wave interactions, shock wave-boundary interactions show that the developed scheme is stable, accurate and extremely robust. The adaptive grid generator produced a very favorable grid network by a grid speed technique. This generic adaptive grid generator is also applied in the PARC and FDNS codes and the computational results for solid rocket nozzle flowfield and crystal growth modeling by those codes will be presented in the conference, too. This research work is being supported by NASA/MSFC.
Development of a new flux splitting scheme
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing; Steffen, Christopher J., Jr.
1991-01-01
The successful use of a novel splitting scheme, the advection upstream splitting method, for model aerodynamic problems where Van Leer and Roe schemes had failed previously is discussed. The present scheme is based on splitting in which the convective and pressure terms are separated and treated differently depending on the underlying physical conditions. The present method is found to be both simple and accurate.
Development of a new flux splitting scheme
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing; Steffen, Christopher J., Jr.
1991-01-01
The use of a new splitting scheme, the advection upstream splitting method, for model aerodynamic problems where Van Leer and Roe schemes had failed previously is discussed. The present scheme is based on splitting in which the convective and pressure terms are separated and treated differently depending on the underlying physical conditions. The present method is found to be both simple and accurate.
Chai, Zhenhua; Zhao, T S
2014-07-01
In this paper, we propose a local nonequilibrium scheme for computing the flux of the convection-diffusion equation with a source term in the framework of the multiple-relaxation-time (MRT) lattice Boltzmann method (LBM). Both the Chapman-Enskog analysis and the numerical results show that, at the diffusive scaling, the present nonequilibrium scheme has a second-order convergence rate in space. A comparison between the nonequilibrium scheme and the conventional second-order central-difference scheme indicates that, although both schemes have a second-order convergence rate in space, the present nonequilibrium scheme is more accurate than the central-difference scheme. In addition, the flux computation rendered by the present scheme also preserves the parallel computation feature of the LBM, making the scheme more efficient than conventional finite-difference schemes in the study of large-scale problems. Finally, a comparison between the single-relaxation-time model and the MRT model is also conducted, and the results show that the MRT model is more accurate than the single-relaxation-time model, both in solving the convection-diffusion equation and in computing the flux.
TE/TM scheme for computation of electromagnetic fields in accelerators
Zagorodnov, Igor . E-mail: zagor@temf.de; Weiland, Thomas . E-mail: thomas.weiland@temf.de
2005-07-20
We propose a new two-level economical conservative scheme for short-range wake field calculation in three dimensions. The scheme does not have dispersion in the longitudinal direction and is staircase free (second order convergent). Unlike the finite-difference time domain method (FDTD), it is based on a TE/TM like splitting of the field components in time. Additionally, it uses an enhanced alternating direction splitting of the transverse space operator that makes the scheme computationally as effective as the conventional FDTD method. Unlike the FDTD ADI and low-order Strang methods, the splitting error in our scheme is only of fourth order. As numerical examples show, the new scheme is much more accurate on the long-time scale than the conventional FDTD approach.
High-Order Hyperbolic Residual-Distribution Schemes on Arbitrary Triangular Grids
NASA Technical Reports Server (NTRS)
Mazaheri, Alireza; Nishikawa, Hiroaki
2015-01-01
In this paper, we construct high-order hyperbolic residual-distribution schemes for general advection-diffusion problems on arbitrary triangular grids. We demonstrate that the second-order accuracy of the hyperbolic schemes can be greatly improved by requiring the scheme to preserve exact quadratic solutions. We also show that the improved second-order scheme can be easily extended to third-order by further requiring the exactness for cubic solutions. We construct these schemes based on the LDA and the SUPG methodology formulated in the framework of the residual-distribution method. For both second- and third-order-schemes, we construct a fully implicit solver by the exact residual Jacobian of the second-order scheme, and demonstrate rapid convergence of 10-15 iterations to reduce the residuals by 10 orders of magnitude. We demonstrate also that these schemes can be constructed based on a separate treatment of the advective and diffusive terms, which paves the way for the construction of hyperbolic residual-distribution schemes for the compressible Navier-Stokes equations. Numerical results show that these schemes produce exceptionally accurate and smooth solution gradients on highly skewed and anisotropic triangular grids, including curved boundary problems, using linear elements. We also present Fourier analysis performed on the constructed linear system and show that an under-relaxation parameter is needed for stabilization of Gauss-Seidel relaxation.
NASA Astrophysics Data System (ADS)
Xu, Zhiliang; Liu, Yingjie
2016-12-01
New schemes are developed on triangular grids for solving ideal magnetohydrodynamic equations while preserving globally divergence-free magnetic field. These schemes incorporate the constrained transport (CT) scheme of Evans and Hawley [34] with central schemes and central discontinuous Galerkin methods on overlapping cells which have no need for solving Riemann problems across cell edges where there are discontinuities of the numerical solution. These schemes are formally second-order accurate with major development on the reconstruction of globally divergence-free magnetic field on polygonal dual mesh. Moreover, the computational cost is reduced by solving the complete set of governing equations on the primal grid while only solving the magnetic induction equation on the polygonal dual mesh. Various numerical experiments are provided to validate the new schemes.
Comparison of Several Numerical Methods for Simulation of Compressible Shear Layers
NASA Technical Reports Server (NTRS)
Kennedy, Christopher A.; Carpenter, Mark H.
1997-01-01
An investigation is conducted on several numerical schemes for use in the computation of two-dimensional, spatially evolving, laminar variable-density compressible shear layers. Schemes with various temporal accuracies and arbitrary spatial accuracy for both inviscid and viscous terms are presented and analyzed. All integration schemes use explicit or compact finite-difference derivative operators. Three classes of schemes are considered: an extension of MacCormack's original second-order temporally accurate method, a new third-order variant of the schemes proposed by Rusanov and by Kutier, Lomax, and Warming (RKLW), and third- and fourth-order Runge-Kutta schemes. In each scheme, stability and formal accuracy are considered for the interior operators on the convection-diffusion equation U(sub t) + aU(sub x) = alpha U(sub xx). Accuracy is also verified on the nonlinear problem, U(sub t) + F(sub x) = 0. Numerical treatments of various orders of accuracy are chosen and evaluated for asymptotic stability. Formally accurate boundary conditions are derived for several sixth- and eighth-order central-difference schemes. Damping of high wave-number data is accomplished with explicit filters of arbitrary order. Several schemes are used to compute variable-density compressible shear layers, where regions of large gradients exist.
Accurate upwind-monotone (nonoscillatory) methods for conservation laws
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1992-01-01
The well known MUSCL scheme of Van Leer is constructed using a piecewise linear approximation. The MUSCL scheme is second order accurate at the smooth part of the solution except at extrema where the accuracy degenerates to first order due to the monotonicity constraint. To construct accurate schemes which are free from oscillations, the author introduces the concept of upwind monotonicity. Several classes of schemes, which are upwind monotone and of uniform second or third order accuracy are then presented. Results for advection with constant speed are shown. It is also shown that the new scheme compares favorably with state of the art methods.
A semi-implicit gas-kinetic scheme for smooth flows
NASA Astrophysics Data System (ADS)
Wang, Peng; Guo, Zhaoli
2016-08-01
In this paper, a semi-implicit gas-kinetic scheme (SIGKS) is derived for smooth flows based on the Bhatnagar-Gross-Krook (BGK) equation. As a finite-volume scheme, the evolution of the average flow variables in a control volume is under the Eulerian framework, whereas the construction of the numerical flux across the cell interface comes from the Lagrangian perspective. The adoption of the Lagrangian aspect makes the collision and the transport mechanisms intrinsically coupled together in the flux evaluation. As a result, the time step size is independent of the particle collision time and solely determined by the Courant-Friedrichs-Lewy (CFL) condition. An analysis of the reconstructed distribution function at the cell interface shows that the SIGKS can be viewed as a modified Lax-Wendroff type scheme with an additional term. Furthermore, the addition term coming from the implicitness in the reconstruction is expected to be able to enhance the numerical stability of the scheme. A number of numerical tests of smooth flows with low and moderate Mach numbers are performed to benchmark the SIGKS. The results show that the method has second-order spatial accuracy, and can give accurate numerical solutions in comparison with benchmark results. It is also demonstrated that the numerical stability of the proposed scheme is better than the original GKS for smooth flows.
Particle-In-Cell Multi-Algorithm Numerical Test-Bed
NASA Astrophysics Data System (ADS)
Meyers, M. D.; Yu, P.; Tableman, A.; Decyk, V. K.; Mori, W. B.
2015-11-01
We describe a numerical test-bed that allows for the direct comparison of different numerical simulation schemes using only a single code. It is built from the UPIC Framework, which is a set of codes and modules for constructing parallel PIC codes. In this test-bed code, Maxwell's equations are solved in Fourier space in two dimensions. One can readily examine the numerical properties of a real space finite difference scheme by including its operators' Fourier space representations in the Maxwell solver. The fields can be defined at the same location in a simulation cell or can be offset appropriately by half-cells, as in the Yee finite difference time domain scheme. This allows for the accurate comparison of numerical properties (dispersion relations, numerical stability, etc.) across finite difference schemes, or against the original spectral scheme. We have also included different options for the charge and current deposits, including a strict charge conserving current deposit. The test-bed also includes options for studying the analytic time domain scheme, which eliminates numerical dispersion errors in vacuum. We will show examples from the test-bed that illustrate how the properties of some numerical instabilities vary between different PIC algorithms. Work supported by the NSF grant ACI 1339893 and DOE grant DE-SC0008491.
NASA Astrophysics Data System (ADS)
Zhu, Lianhua; Wang, Peng; Guo, Zhaoli
2017-03-01
The general characteristics based off-lattice Boltzmann scheme proposed by Bardow et al. [1] (hereafter Bardow's scheme) and the discrete unified gas kinetic scheme (DUGKS) [2] are two methods that successfully overcome the time step restriction by the collision time, which is commonly seen in many other kinetic schemes. In this work, we first perform a theoretical analysis of the two schemes in the finite volume framework by comparing their numerical flux evaluations. It is found that the effect of collision term is considered in the evaluation of the cell interface distribution function in both schemes, which explains why they can overcome the time step restriction and can give accurate results even as the time step is much larger than the collision time. The difference between the two schemes lies in the treatment of the integral of the collision term when evaluating the cell interface distribution function, in which Bardow's scheme uses the rectangular rule while DUGKS uses the trapezoidal rule. The performance of the two schemes, i.e., accuracy, stability, and efficiency are then compared by simulating several two dimensional flows, including the unsteady Taylor-Green vortex flow, the steady lid-driven cavity flow, and the laminar boundary layer problem. It is observed that, DUGKS can give more accurate results than Bardow's scheme with a same mesh size. Furthermore, the numerical stability of Bardow's scheme decreases as the Courant-Friedrichs-Lewy (CFL) number approaches to 1, while the stability of DUGKS is not affected by the CFL number apparently as long as CFL < 1. It is also observed that DUGKS is twice as expensive as the Bardow's scheme with the same mesh size.
Lim, Fong Yin; Bao, Weizhu
2008-12-01
We propose efficient and accurate numerical methods for computing the ground-state solution of spin-1 Bose-Einstein condensates subjected to a uniform magnetic field. The key idea in designing the numerical method is based on the normalized gradient flow with the introduction of a third normalization condition, together with two physical constraints on the conservation of total mass and conservation of total magnetization. Different treatments of the Zeeman energy terms are found to yield different numerical accuracies and stabilities. Numerical comparison between different numerical schemes is made, and the best scheme is identified. The numerical scheme is then applied to compute the condensate ground state in a harmonic plus optical lattice potential, and the effect of the periodic potential, in particular to the relative population of each hyperfine component, is investigated through comparison to the condensate ground state in a pure harmonic trap.
High-order conservative finite difference GLM-MHD schemes for cell-centered MHD
NASA Astrophysics Data System (ADS)
Mignone, Andrea; Tzeferacos, Petros; Bodo, Gianluigi
2010-08-01
We present and compare third- as well as fifth-order accurate finite difference schemes for the numerical solution of the compressible ideal MHD equations in multiple spatial dimensions. The selected methods lean on four different reconstruction techniques based on recently improved versions of the weighted essentially non-oscillatory (WENO) schemes, monotonicity preserving (MP) schemes as well as slope-limited polynomial reconstruction. The proposed numerical methods are highly accurate in smooth regions of the flow, avoid loss of accuracy in proximity of smooth extrema and provide sharp non-oscillatory transitions at discontinuities. We suggest a numerical formulation based on a cell-centered approach where all of the primary flow variables are discretized at the zone center. The divergence-free condition is enforced by augmenting the MHD equations with a generalized Lagrange multiplier yielding a mixed hyperbolic/parabolic correction, as in Dedner et al. [J. Comput. Phys. 175 (2002) 645-673]. The resulting family of schemes is robust, cost-effective and straightforward to implement. Compared to previous existing approaches, it completely avoids the CPU intensive workload associated with an elliptic divergence cleaning step and the additional complexities required by staggered mesh algorithms. Extensive numerical testing demonstrate the robustness and reliability of the proposed framework for computations involving both smooth and discontinuous features.
Numerical calculations of two dimensional, unsteady transonic flows with circulation
NASA Technical Reports Server (NTRS)
Beam, R. M.; Warming, R. F.
1974-01-01
The feasibility of obtaining two-dimensional, unsteady transonic aerodynamic data by numerically integrating the Euler equations is investigated. An explicit, third-order-accurate, noncentered, finite-difference scheme is used to compute unsteady flows about airfoils. Solutions for lifting and nonlifting airfoils are presented and compared with subsonic linear theory. The applicability and efficiency of the numerical indicial function method are outlined. Numerically computed subsonic and transonic oscillatory aerodynamic coefficients are presented and compared with those obtained from subsonic linear theory and transonic wind-tunnel data.
NASA Astrophysics Data System (ADS)
Canestrelli, Alberto; Siviglia, Annunziato; Dumbser, Michael; Toro, Eleuterio F.
2009-06-01
This paper concerns the development of high-order accurate centred schemes for the numerical solution of one-dimensional hyperbolic systems containing non-conservative products and source terms. Combining the PRICE-T method developed in [Toro E, Siviglia A. PRICE: primitive centred schemes for hyperbolic system of equations. Int J Numer Methods Fluids 2003;42:1263-91] with the theoretical insights gained by the recently developed path-conservative schemes [Castro M, Gallardo J, Parés C. High-order finite volume schemes based on reconstruction of states for solving hyperbolic systems with nonconservative products applications to shallow-water systems. Math Comput 2006;75:1103-34; Parés C. Numerical methods for nonconservative hyperbolic systems: a theoretical framework. SIAM J Numer Anal 2006;44:300-21], we propose the new PRICE-C scheme that automatically reduces to a modified conservative FORCE scheme if the underlying PDE system is a conservation law. The resulting first-order accurate centred method is then extended to high order of accuracy in space and time via the ADER approach together with a WENO reconstruction technique. The well-balanced properties of the PRICE-C method are investigated for the shallow water equations. Finally, we apply the new scheme to the shallow water equations with fix bottom topography and with variable bottom solving an additional sediment transport equation.
Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion
Cui, Xia Yuan, Guang-wei; Shen, Zhi-jun
2016-05-15
Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-order accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion. - Highlights: • Provide AP fully discrete schemes for non-equilibrium radiation diffusion. • Propose second order accurate schemes by asymmetric approach for boundary flux-limiter. • Show first order AP property of spatially and fully discrete schemes with IB evolution. • Devise subtle artificial solutions; verify accuracy and AP property quantitatively. • Ideas can be generalized to 3-dimensional problems and higher order implicit schemes.
A semi-Lagrangian finite difference WENO scheme for scalar nonlinear conservation laws
NASA Astrophysics Data System (ADS)
Huang, Chieh-Sen; Arbogast, Todd; Hung, Chen-Hui
2016-10-01
For a nonlinear scalar conservation law in one-space dimension, we develop a locally conservative semi-Lagrangian finite difference scheme based on weighted essentially non-oscillatory reconstructions (SL-WENO). This scheme has the advantages of both WENO and semi-Lagrangian schemes. It is a locally mass conservative finite difference scheme, it is formally high-order accurate in space, it has small time truncation error, and it is essentially non-oscillatory. The scheme is nearly free of a CFL time step stability restriction for linear problems, and it has a relaxed CFL condition for nonlinear problems. The scheme can be considered as an extension of the SL-WENO scheme of Qiu and Shu (2011) [2] developed for linear problems. The new scheme is based on a standard sliding average formulation with the flux function defined using WENO reconstructions of (semi-Lagrangian) characteristic tracings of grid points. To handle nonlinear problems, we use an approximate, locally frozen trace velocity and a flux correction step. A special two-stage WENO reconstruction procedure is developed that is biased to the upstream direction. A Strang splitting algorithm is used for higher-dimensional problems. Numerical results are provided to illustrate the performance of the scheme and verify its formal accuracy. Included are applications to the Vlasov-Poisson and guiding-center models of plasma flow.
Higher-order bounded differencing schemes for compressible and incompressible flows
NASA Astrophysics Data System (ADS)
Ng, K. C.; Yusoff, M. Z.; Ng, E. Y. K.
2007-01-01
In recent years, three higher-order (HO) bounded differencing schemes, namely AVLSMART, CUBISTA and HOAB that were derived by adopting the normalized variable formulation (NVF), have been proposed. In this paper, a comparative study is performed on these schemes to assess their numerical accuracy, computational cost as well as iterative convergence property. All the schemes are formulated on the basis of a new dual-formulation in order to facilitate their implementations on unstructured meshes. Based on the proposed dual-formulation, the net effective blending factor (NEBF) of a high-resolution (HR) scheme can now be measured and its relevance on the accuracy and computational cost of a HR scheme is revealed on three test problems: (1) advection of a scalar step-profile; (2) 2D transonic flow past a circular arc bump; and (3) 3D lid-driven incompressible cavity flow. Both density-based and pressure-based methods are used for the computations of compressible and incompressible flow, respectively. Computed results show that all the schemes produce solutions which are nearly as accurate as the third-order QUICK scheme; however, without the unphysical oscillations which are commonly inherited from the HO linear differencing scheme. Generally, it is shown that at higher value of NEBF, a HR scheme can attain better accuracy at the expense of computational cost.
Development of an explicit non-staggered scheme for solving three-dimensional Maxwell's equations
NASA Astrophysics Data System (ADS)
Sheu, Tony W. H.; Chung, Y. W.; Li, J. H.; Wang, Y. C.
2016-10-01
An explicit finite-difference scheme for solving the three-dimensional Maxwell's equations in non-staggered grids is presented. We aspire to obtain time-dependent solutions of the Faraday's and Ampère's equations and predict the electric and magnetic fields within the discrete zero-divergence context (or Gauss's law). The local conservation laws in Maxwell's equations are numerically preserved using the explicit second-order accurate symplectic partitioned Runge-Kutta temporal scheme. Following the method of lines, the spatial derivative terms in the semi-discretized Faraday's and Ampère's equations are approximated theoretically to obtain a highly accurate numerical phase velocity. The proposed fourth-order accurate space-centered finite difference scheme minimizes the discrepancy between the exact and numerical phase velocities. This minimization process considerably reduces the dispersion and anisotropy errors normally associated with finite difference time-domain methods. The computational efficiency of getting the same level of accuracy at less computing time and the ability of preserving the symplectic property have been numerically demonstrated through several test problems.
A Quadrature Free Discontinuous Galerkin Conservative Level Set Scheme
NASA Astrophysics Data System (ADS)
Czajkowski, Mark; Desjardins, Olivier
2010-11-01
In an effort to improve the scalability and accuracy of the Accurate Conservative Level Set (ACLS) scheme [Desjardins et al., J COMPUT PHYS 227 (2008)], a scheme based on the quadrature free discontinuous Galerkin (DG) methodology has been developed. ACLS relies on a hyperbolic tangent level set function that is transported and reinitialized using conservative schemes in order to alleviate mass conservation issues known to plague level set methods. DG allows for an arbitrarily high order representation of the interface by using a basis of high order polynomials while only using data from the faces of neighboring cells. The small stencil allows DG to have excellent parallel scalability. The diffusion term present in the conservative reinitialization equation is handled using local DG method [Cockburn et al., SIAM J NUMER ANAL 39, (2001)] while the normals are computed from a limited form of the level set function in order to avoid spurious oscillations. The resulting scheme is shown to be both robust, accurate, and highly scalable, making it a method of choice for large-scale simulations of multiphase flows with complex interfacial topology.
An Adaptive Semi-Implicit Scheme for Simulations of Unsteady Viscous Compressible Flows
NASA Technical Reports Server (NTRS)
Steinthorsson, Erlendur; Modiano, David; Crutchfield, William Y.; Bell, John B.; Colella, Phillip
1995-01-01
A numerical scheme for simulation of unsteady, viscous, compressible flows is considered. The scheme employs an explicit discretization of the inviscid terms of the Navier-Stokes equations and an implicit discretization of the viscous terms. The discretization is second order accurate in both space and time. Under appropriate assumptions, the implicit system of equations can be decoupled into two linear systems of reduced rank. These are solved efficiently using a Gauss-Seidel method with multigrid convergence acceleration. When coupled with a solution-adaptive mesh refinement technique, the hybrid explicit-implicit scheme provides an effective methodology for accurate simulations of unsteady viscous flows. The methodology is demonstrated for both body-fitted structured grids and for rectangular (Cartesian) grids.
NASA Astrophysics Data System (ADS)
Pan, Liang; Xu, Kun
2016-08-01
In this paper, for the first time a third-order compact gas-kinetic scheme is proposed on unstructured meshes for the compressible viscous flow computations. The possibility to design such a third-order compact scheme is due to the high-order gas evolution model, where a time-dependent gas distribution function at cell interface not only provides the fluxes across a cell interface, but also presents a time accurate solution for flow variables at cell interface. As a result, both cell averaged and cell interface flow variables can be used for the initial data reconstruction at the beginning of next time step. A weighted least-square procedure has been used for the initial reconstruction. Therefore, a compact third-order gas-kinetic scheme with the involvement of neighboring cells only can be developed on unstructured meshes. In comparison with other conventional high-order schemes, the current method avoids the Gaussian point integration for numerical fluxes along a cell interface and the multi-stage Runge-Kutta method for temporal accuracy. The third-order compact scheme is numerically stable under CFL condition CFL ≈ 0.5. Due to its multidimensional gas-kinetic formulation and the coupling of inviscid and viscous terms, even with unstructured meshes, the boundary layer solution and vortex structure can be accurately captured by the current scheme. At the same time, the compact scheme can capture strong shocks as well.
Accuracy of approximate inversion schemes in quantitative photacoustic imaging
NASA Astrophysics Data System (ADS)
Hochuli, Roman; Beard, Paul C.; Cox, Ben
2014-03-01
Five numerical phantoms were developed to investigate the accuracy of approximate inversion schemes in the reconstruction of oxygen saturation in photoacoustic imaging. In particular, two types of inversion are considered: Type I, an inversion that assumes fluence is unchanged between illumination wavelengths, and Type II, a method that assumes known background absorption and scattering coefficients to partially correct for the fluence. These approaches are tested in tomography (PAT) and acoustic-resolution microscopy mode (AR-PAM). They are found to produce accurate values of oxygen saturation in a blood vessel of interest at shallow depth - less than 3mm for PAT and less than 1mm for AR-PAM.
Development of an inviscid flux scheme for thermochemical nonequilibrium flow
NASA Astrophysics Data System (ADS)
Campbell, Charles Hugh
Solutions to the governing equations that model hypersonic aerothermodynamics rely heavily on the mathematical and numerical technology that characterizes Computational Fluid Dynamics. Many areas of significant investigation are relevant to advancing state of the art hypersonic aerothermodynamic engineering and applied research analyses. Due to the relatively high energy achieved by spacecraft during launch, physical models for thermal nonequilibrium and chemical nonequilibrium are necessary to develop adequate numerical reentry simulations. In addition, complex features of the Navier Stokes equations require sophisticated mathematical and numerical techniques in order to develop reasonably accurate simulations in an acceptable amount of time. The objective of this work is to present the development of a new inviscid flux evaluation method. This new method, referred to as the Flux Consistent scheme, is closely related to the Modified Steger-Warming method. The unique characteristics of this new flux scheme involve an original eigenvalue implementation. This original eigenvalue formulation, however, leads to incorrect flux magnitudes which must be corrected in the total flux to provide an accurate representation of the inviscid fluxes. The mathematical technique used to identify flux magnitude errors in the Flux Consistent scheme is also applied to the Modified Steger-Warming flux evaluation method. This assessment leads to the characterization of flux errors in the Modified Steger-Warming scheme which are generated by eigenvalue differences between the left and right cell interface flow states. These Modified Steger-Warming flux errors are shown to vanish for supersonic conditions. Two hypotheses in reference to the Modified Steger-Warming scheme are proposed. The first is that sonic glitch problems occurring in some Steger-Warming simulations are the result of the flux error vanishing at supersonic conditions. The second hypothesis concerning the Steger
Entropy Splitting for High Order Numerical Simulation of Compressible Turbulence
NASA Technical Reports Server (NTRS)
Sandham, N. D.; Yee, H. C.; Kwak, Dochan (Technical Monitor)
2000-01-01
A stable high order numerical scheme for direct numerical simulation (DNS) of shock-free compressible turbulence is presented. The method is applicable to general geometries. It contains no upwinding, artificial dissipation, or filtering. Instead the method relies on the stabilizing mechanisms of an appropriate conditioning of the governing equations and the use of compatible spatial difference operators for the interior points (interior scheme) as well as the boundary points (boundary scheme). An entropy splitting approach splits the inviscid flux derivatives into conservative and non-conservative portions. The spatial difference operators satisfy a summation by parts condition leading to a stable scheme (combined interior and boundary schemes) for the initial boundary value problem using a generalized energy estimate. A Laplacian formulation of the viscous and heat conduction terms on the right hand side of the Navier-Stokes equations is used to ensure that any tendency to odd-even decoupling associated with central schemes can be countered by the fluid viscosity. A special formulation of the continuity equation is used, based on similar arguments. The resulting methods are able to minimize spurious high frequency oscillation producing nonlinear instability associated with pure central schemes, especially for long time integration simulation such as DNS. For validation purposes, the methods are tested in a DNS of compressible turbulent plane channel flow at a friction Mach number of 0.1 where a very accurate turbulence data base exists. It is demonstrated that the methods are robust in terms of grid resolution, and in good agreement with incompressible channel data, as expected at this Mach number. Accurate turbulence statistics can be obtained with moderate grid sizes. Stability limits on the range of the splitting parameter are determined from numerical tests.
Curvilinear finite-volume schemes using high-order compact interpolation
Fosso P, Arnaud Deniau, Hugues; Sicot, Frederic; Sagaut, Pierre
2010-07-01
During the last years, the need of high fidelity simulations on complex geometries for aeroacoustics predictions has grown. Most of high fidelity numerical schemes, in terms of low dissipative and low dispersive effects, lie on finite-difference (FD) approach. But for industrial applications, FD schemes are less robust compared to finite-volume (FV) ones. Thus the present study focuses on the development of a new compact FV scheme for two- and three-dimensional applications. The proposed schemes are formulated in the physical space and not in the computational space as it is the case in most of the known works. Therefore, they are more appropriate for general grids. They are based on compact interpolation to approximate interface-averaged field values using known cell-averaged values. For each interface, the interpolation coefficients are determined by matching Taylor series expansions around the interface center. Two types of schemes can be distinguished. The first one uses only the curvilinear abscissa along a mesh line to derive a sixth-order compact interpolation formulae while the second, more general, uses coordinates in a spatial three-dimensional frame well chosen. This latter is formally sixth-order accurate in a preferred direction almost orthogonal to the interface and at most fourth-order accurate in transversal directions. For non-linear problems, different approaches can be used to keep the high-order scheme. However, in the present paper, a MUSCL-like formulation was sufficient to address the presented test cases. All schemes have been modified to treat multiblock and periodic interfaces in such a way that high-order accuracy, stability, good spectral resolution, conservativeness and low computational costs are guaranteed. This is a first step to insure good scalability of the schemes although parallel performances issues are not addressed. As high frequency waves, badly resolved, could be amplified and then destabilize the scheme, compact filtering
Numerical modeling of turbulent supersonic reacting coaxial jets
NASA Technical Reports Server (NTRS)
Eklund, Dean R.; Hassan, H. A.; Drummond, J. Philip
1989-01-01
The paper considers the mixing and subsequent combustion within turbulent reacting shear layers. A computer program was developed to solve the axisymmetric Reynolds averaged Navier-Stokes equations. The numerical method integrates the Reynolds averaged Navier-Stokes equations using a finite volume approach while advancing the solution forward in time using a Runge-Kutta scheme. Three separate flowfields are investigated and it is found that no single turbulence model considered could accurately predict the degree of mixing for all three cases.
NASA Astrophysics Data System (ADS)
Zhang, Xiangxiong
2017-01-01
We construct a local Lax-Friedrichs type positivity-preserving flux for compressible Navier-Stokes equations, which can be easily extended to multiple dimensions for generic forms of equations of state, shear stress tensor and heat flux. With this positivity-preserving flux, any finite volume type schemes including discontinuous Galerkin (DG) schemes with strong stability preserving Runge-Kutta time discretizations satisfy a weak positivity property. With a simple and efficient positivity-preserving limiter, high order explicit Runge-Kutta DG schemes are rendered preserving the positivity of density and internal energy without losing local conservation or high order accuracy. Numerical tests suggest that the positivity-preserving flux and the positivity-preserving limiter do not induce excessive artificial viscosity, and the high order positivity-preserving DG schemes without other limiters can produce satisfying non-oscillatory solutions when the nonlinear diffusion in compressible Navier-Stokes equations is accurately resolved.
Thompson, Kelly Glen
2000-11-01
In this work, we develop a new spatial discretization scheme that may be used to numerically solve the neutron transport equation. This new discretization extends the family of corner balance spatial discretizations to include spatial grids of arbitrary polyhedra. This scheme enforces balance on subcell volumes called corners. It produces a lower triangular matrix for sweeping, is algebraically linear, is non-negative in a source-free absorber, and produces a robust and accurate solution in thick diffusive regions. Using an asymptotic analysis, we design the scheme so that in thick diffusive regions it will attain the same solution as an accurate polyhedral diffusion discretization. We then refine the approximations in the scheme to reduce numerical diffusion in vacuums, and we attempt to capture a second order truncation error. After we develop this Upstream Corner Balance Linear (UCBL) discretization we analyze its characteristics in several limits. We complete a full diffusion limit analysis showing that we capture the desired diffusion discretization in optically thick and highly scattering media. We review the upstream and linear properties of our discretization and then demonstrate that our scheme captures strictly non-negative solutions in source-free purely absorbing media. We then demonstrate the minimization of numerical diffusion of a beam and then demonstrate that the scheme is, in general, first order accurate. We also note that for slab-like problems our method actually behaves like a second-order method over a range of cell thicknesses that are of practical interest. We also discuss why our scheme is first order accurate for truly 3D problems and suggest changes in the algorithm that should make it a second-order accurate scheme. Finally, we demonstrate 3D UCBL's performance on several very different test problems. We show good performance in diffusive and streaming problems. We analyze truncation error in a 3D problem and demonstrate robustness in a
NASA Astrophysics Data System (ADS)
Thompson, Kelly Glen
In this work, we develop a new spatial discretization scheme that may be used to numerically solve the neutron transport equation. This new discretization extends the family of corner balance spatial discretizations to include spatial grids of arbitrary polyhedra. This scheme enforces balance on subcell volumes called corners. It produces a lower triangular matrix for sweeping, is algebraically linear, is non-negative in a source-free absorber, and produces a robust and accurate solution in thick diffusive regions. Using an asymptotic analysis, we design the scheme so that in thick diffusive regions it will attain the same solution as an accurate polyhedral diffusion discretization. We then refine the approximations in the scheme to reduce numerical diffusion in vacuums, and we attempt to capture a second order truncation error. After we develop this Upstream Comer Balance Linear (UCBL) discretization we analyze its characteristics in several limits. We complete a full diffusion limit analysis showing that we capture the desired diffusion discretization in optically thick and highly scattering media. We review the upstream and linear properties of our discretization and then demonstrate that our scheme captures strictly non-negative solutions in source-free purely absorbing media. We then demonstrate the minimization of numerical diffusion of a beam and then demonstrate that the scheme is, in general, first order accurate. We also note that for slab-like problems our method actually behaves like a second-order method over a range of cell thicknesses that are of practical interest. We also discuss why our scheme is first order accurate for truly 3D problems and suggest changes in the algorithm that should make it a second-order accurate scheme. Finally, we demonstrate 3D UCBL's performance on several very different test problems. We show good performance in diffusive and streaming problems. We analyze truncation error in a 3D problem and demonstrate robustness in a
NASA Technical Reports Server (NTRS)
Myhill, Elizabeth A.; Boss, Alan P.
1993-01-01
In Boss & Myhill (1992) we described the derivation and testing of a spherical coordinate-based scheme for solving the hydrodynamic equations governing the gravitational collapse of nonisothermal, nonmagnetic, inviscid, radiative, three-dimensional protostellar clouds. Here we discuss a Cartesian coordinate-based scheme based on the same set of hydrodynamic equations. As with the spherical coorrdinate-based code, the Cartesian coordinate-based scheme employs explicit Eulerian methods which are both spatially and temporally second-order accurate. We begin by describing the hydrodynamic equations in Cartesian coordinates and the numerical methods used in this particular code. Following Finn & Hawley (1989), we pay special attention to the proper implementations of high-order accuracy, finite difference methods. We evaluate the ability of the Cartesian scheme to handle shock propagation problems, and through convergence testing, we show that the code is indeed second-order accurate. To compare the Cartesian scheme discussed here with the spherical coordinate-based scheme discussed in Boss & Myhill (1992), the two codes are used to calculate the standard isothermal collapse test case described by Bodenheimer & Boss (1981). We find that with the improved codes, the intermediate bar-configuration found previously disappears, and the cloud fragments directly into a binary protostellar system. Finally, we present the results from both codes of a new test for nonisothermal protostellar collapse.
The a(3) Scheme--A Fourth-Order Space-Time Flux-Conserving and Neutrally Stable CESE Solver
NASA Technical Reports Server (NTRS)
Chang, Sin-Chung
2008-01-01
The CESE development is driven by a belief that a solver should (i) enforce conservation laws in both space and time, and (ii) be built from a non-dissipative (i.e., neutrally stable) core scheme so that the numerical dissipation can be controlled effectively. To initiate a systematic CESE development of high order schemes, in this paper we provide a thorough discussion on the structure, consistency, stability, phase error, and accuracy of a new 4th-order space-time flux-conserving and neutrally stable CESE solver of an 1D scalar advection equation. The space-time stencil of this two-level explicit scheme is formed by one point at the upper time level and three points at the lower time level. Because it is associated with three independent mesh variables (the numerical analogues of the dependent variable and its 1st-order and 2ndorder spatial derivatives, respectively) and three equations per mesh point, the new scheme is referred to as the a(3) scheme. Through the von Neumann analysis, it is shown that the a(3) scheme is stable if and only if the Courant number is less than 0.5. Moreover, it is established numerically that the a(3) scheme is 4th-order accurate.
Nonlinearly stable compact schemes for shock calculations
NASA Technical Reports Server (NTRS)
Cockburn, Bernardo; Shu, Chi-Wang
1992-01-01
The applications of high-order, compact finite difference methods in shock calculations are discussed. The main concern is to define a local mean which will serve as a reference for introducing a local nonlinear limiting to control spurious numerical oscillations while maintaining the formal accuracy of the scheme. For scalar conservation laws, the resulting schemes can be proven total-variation stable in one space dimension and maximum-norm stable in multiple space dimensions. Numerical examples are shown to verify accuracy and stability of such schemes for problems containing shocks. These ideas can also be applied to other implicit schemes such as the continuous Galerkin finite element methods.
A curved boundary treatment for discontinuous Galerkin schemes solving time dependent problems
NASA Astrophysics Data System (ADS)
Zhang, Xiangxiong
2016-03-01
For problems defined in a two-dimensional domain Ω with boundary conditions specified on a curve Γ, we consider discontinuous Galerkin (DG) schemes with high order polynomial basis functions on a geometry fitting triangular mesh. It is well known that directly imposing the given boundary conditions on a piecewise segment approximation boundary Γh will render any finite element method to be at most second order accurate. Unless the boundary conditions can be accurately transferred from Γ to Γh, in general curvilinear element method should be used to obtain high order accuracy. We discuss a simple boundary treatment which can be implemented as a modified DG scheme defined on triangles adjacent to Γh. Even though integration along the curve is still necessary, integrals over any curved element are avoided. If the domain Ω is convex, or if Ω is nonconvex and the true solutions can be smoothly extended to the exterior of Ω, the modified DG scheme is high order accurate. In these cases, numerical tests on first order and second order partial differential equations including hyperbolic systems and the scalar wave equation suggest that it is as accurate as the full curvilinear DG scheme.
A robust composite nonlinear control scheme for servomotor speed regulation
NASA Astrophysics Data System (ADS)
Huang, Yanwei; Cheng, Guoqing
2015-01-01
A parameterised design of robust composite nonlinear controller is proposed for typical second-order servo systems subject to unknown constant disturbance and control input saturation. The control law consists of a linear feedback part for achieving fast response, a nonlinear feedback part for suppressing the overshoot, and a disturbance-compensation mechanism for erasing the steady-state error. An extended state observer is adopted to estimate the unknown disturbance. The closed-loop stability is analysed theoretically. The control scheme is applied to the speed regulation of permanent magnet synchronous motor, and numerical simulations are carried out. The results confirm that the proposed control scheme can achieve fast, smooth, and accurate speed regulation, and has a certain degree of robustness with respect to the amplitude of disturbances and the perturbations of system parameters.
NASA Technical Reports Server (NTRS)
Kim, Hyoungin; Liou, Meng-Sing
2011-01-01
In this paper, we demonstrate improved accuracy of the level set method for resolving deforming interfaces by proposing two key elements: (1) accurate level set solutions on adapted Cartesian grids by judiciously choosing interpolation polynomials in regions of different grid levels and (2) enhanced reinitialization by an interface sharpening procedure. The level set equation is solved using a fifth order WENO scheme or a second order central differencing scheme depending on availability of uniform stencils at each grid point. Grid adaptation criteria are determined so that the Hamiltonian functions at nodes adjacent to interfaces are always calculated by the fifth order WENO scheme. This selective usage between the fifth order WENO and second order central differencing schemes is confirmed to give more accurate results compared to those in literature for standard test problems. In order to further improve accuracy especially near thin filaments, we suggest an artificial sharpening method, which is in a similar form with the conventional re-initialization method but utilizes sign of curvature instead of sign of the level set function. Consequently, volume loss due to numerical dissipation on thin filaments is remarkably reduced for the test problems
NASA Astrophysics Data System (ADS)
Antoine, Xavier; Besse, Christophe; Rispoli, Vittorio
2016-12-01
The aim of this paper is to build and validate some explicit high-order schemes, both in space and time, for simulating the dynamics of systems of nonlinear Schrödinger/Gross-Pitaevskii equations. The method is based on the combination of high-order IMplicit-EXplicit (IMEX) schemes in time and Fourier pseudo-spectral approximations in space. The resulting IMEXSP schemes are highly accurate, efficient and easy to implement. They are also robust when used in conjunction with an adaptive time stepping strategy and appear as an interesting alternative to time-splitting pseudo-spectral (TSSP) schemes. Finally, a complete numerical study is developed to investigate the properties of the IMEXSP schemes, in comparison with TSSP schemes, for one- and two-components systems of Gross-Pitaevskii equations.
The alpha(3) Scheme - A Fourth-Order Neutrally Stable CESE Solver
NASA Technical Reports Server (NTRS)
Chang, Sin-Chung
2007-01-01
The conservation element and solution element (CESE) development is driven by a belief that a solver should (i) enforce conservation laws in both space and time, and (ii) be built from a non-dissipative (i.e., neutrally stable) core scheme so that the numerical dissipation can be controlled effectively. To provide a solid foundation for a systematic CESE development of high order schemes, in this paper we describe a new 4th-order neutrally stable CESE solver of the advection equation Theta u/Theta + alpha Theta u/Theta x = 0. The space-time stencil of this two-level explicit scheme is formed by one point at the upper time level and three points at the lower time level. Because it is associated with three independent mesh variables u(sup n) (sub j), (u(sub x))(sup n) (sub j) , and (uxz)(sup n) (sub j) (the numerical analogues of u, Theta u/Theta x, and Theta(exp 2)u/Theta x(exp 2), respectively) and four equations per mesh point, the new scheme is referred to as the alpha(3) scheme. As in the case of other similar CESE neutrally stable solvers, the alpha(3) scheme enforces conservation laws in space-time locally and globally, and it has the basic, forward marching, and backward marching forms. These forms are equivalent and satisfy a space-time inversion (STI) invariant property which is shared by the advection equation. Based on the concept of STI invariance, a set of algebraic relations is developed and used to prove that the alpha(3) scheme must be neutrally stable when it is stable. Moreover it is proved rigorously that all three amplification factors of the alpha(3) scheme are of unit magnitude for all phase angles if |v| <= 1/2 (v = alpha delta t/delta x). This theoretical result is consistent with the numerical stability condition |v| <= 1/2. Through numerical experiments, it is established that the alpha(3) scheme generally is (i) 4th-order accurate for the mesh variables u(sup n) (sub j) and (ux)(sup n) (sub j); and 2nd-order accurate for (uxx)(sup n) (sub
Analysis of triangular C-grid finite volume scheme for shallow water flows
NASA Astrophysics Data System (ADS)
Shirkhani, Hamidreza; Mohammadian, Abdolmajid; Seidou, Ousmane; Qiblawey, Hazim
2015-08-01
In this paper, a dispersion relation analysis is employed to investigate the finite volume triangular C-grid formulation for two-dimensional shallow-water equations. In addition, two proposed combinations of time-stepping methods with the C-grid spatial discretization are investigated. In the first part of this study, the C-grid spatial discretization scheme is assessed, and in the second part, fully discrete schemes are analyzed. Analysis of the semi-discretized scheme (i.e. only spatial discretization) shows that there is no damping associated with the spatial C-grid scheme, and its phase speed behavior is also acceptable for long and intermediate waves. The analytical dispersion analysis after considering the effect of time discretization shows that the Leap-Frog time stepping technique can improve the phase speed behavior of the numerical method; however it could not damp the shorter decelerated waves. The Adams-Bashforth technique leads to slower propagation of short and intermediate waves and it damps those waves with a slower propagating speed. The numerical solutions of various test problems also conform and are in good agreement with the analytical dispersion analysis. They also indicate that the Adams-Bashforth scheme exhibits faster convergence and more accurate results, respectively, when the spatial and temporal step size decreases. However, the Leap-Frog scheme is more stable with higher CFL numbers.
Finite-volume WENO scheme for viscous compressible multicomponent flows
NASA Astrophysics Data System (ADS)
Coralic, Vedran; Colonius, Tim
2014-10-01
We develop a shock- and interface-capturing numerical method that is suitable for the simulation of multicomponent flows governed by the compressible Navie-Stokes equations. The numerical method is high-order accurate in smooth regions of the flow, discretely conserves the mass of each component, as well as the total momentum and energy, and is oscillation-free, i.e. it does not introduce spurious oscillations at the locations of shockwaves and/or material interfaces. The method is of Godunov-type and utilizes a fifth-order, finite-volume, weighted essentially non-oscillatory (WENO) scheme for the spatial reconstruction and a Harten-Lax-van Leer contact (HLLC) approximate Riemann solver to upwind the fluxes. A third-order total variation diminishing (TVD) Runge-Kutta (RK) algorithm is employed to march the solution in time. The derivation is generalized to three dimensions and nonuniform Cartesian grids. A two-point, fourth-order, Gaussian quadrature rule is utilized to build the spatial averages of the reconstructed variables inside the cells, as well as at cell boundaries. The algorithm is therefore fourth-order accurate in space and third-order accurate in time in smooth regions of the flow. We corroborate the properties of our numerical method by considering several challenging one-, two- and three-dimensional test cases, the most complex of which is the asymmetric collapse of an air bubble submerged in a cylindrical water cavity that is embedded in 10% gelatin.
Finite-volume WENO scheme for viscous compressible multicomponent flows
Coralic, Vedran; Colonius, Tim
2014-01-01
We develop a shock- and interface-capturing numerical method that is suitable for the simulation of multicomponent flows governed by the compressible Navier-Stokes equations. The numerical method is high-order accurate in smooth regions of the flow, discretely conserves the mass of each component, as well as the total momentum and energy, and is oscillation-free, i.e. it does not introduce spurious oscillations at the locations of shockwaves and/or material interfaces. The method is of Godunov-type and utilizes a fifth-order, finite-volume, weighted essentially non-oscillatory (WENO) scheme for the spatial reconstruction and a Harten-Lax-van Leer contact (HLLC) approximate Riemann solver to upwind the fluxes. A third-order total variation diminishing (TVD) Runge-Kutta (RK) algorithm is employed to march the solution in time. The derivation is generalized to three dimensions and nonuniform Cartesian grids. A two-point, fourth-order, Gaussian quadrature rule is utilized to build the spatial averages of the reconstructed variables inside the cells, as well as at cell boundaries. The algorithm is therefore fourth-order accurate in space and third-order accurate in time in smooth regions of the flow. We corroborate the properties of our numerical method by considering several challenging one-, two- and three-dimensional test cases, the most complex of which is the asymmetric collapse of an air bubble submerged in a cylindrical water cavity that is embedded in 10% gelatin. PMID:25110358
Upwind Compact Finite Difference Schemes
NASA Astrophysics Data System (ADS)
Christie, I.
1985-07-01
It was shown by Ciment, Leventhal, and Weinberg ( J. Comput. Phys.28 (1978), 135) that the standard compact finite difference scheme may break down in convection dominated problems. An upwinding of the method, which maintains the fourth order accuracy, is suggested and favorable numerical results are found for a number of test problems.
NASA Astrophysics Data System (ADS)
Moczo, Peter; Kristek, Jozef; Pazak, Peter; Galis, Martin; Chaljub, Emmanuel
2010-05-01
The P-wave to S-wave speed ratios (Vp/Vs) as large as 5 and even larger often have to be accounted for in numerical modeling of seismic motion in structurally and rheologically realistic models of sedimentary basins and valleys. Although sediments with large Vp/Vs usually do not make a major part of the computational region, their effect can be significant because they are at or very close to the free surface. However, the accuracy of the numerical schemes with respect to varying Vp/Vs is not often addressed in studies presenting schemes. In order to identify the very basic inherent aspects of the numerical schemes responsible for their behavior with varying Vp/Vs ratio, we included the most basic 2nd-order 2D numerical schemes on a uniform grid in a homogeneous medium. Although basic in the specified sense, the schemes comprise the decisive features for accuracy of wide class of numerical schemes. We also included 3D higher-order schemes. We investigated the following schemes (FD - finite-difference, FE - finite-element): FD displacement conventional grid, FD optimally-accurate displacement conventional grid, FD displacement-stress partly-staggered grid, FD displacement-stress staggered-grid, FD velocity-stress staggered-grid, FE Lobatto integration, FE Gauss integration, spectral element. We defined and calculated local errors of the schemes in amplitude and polarization normalized for a unit time. Extensive numerical calculations for wide ranges of values of the Vp/Vs ratio, spatial sampling ratio and stability ratio, and entire range of directions of propagation with respect to the spatial grid led to interesting and surprising findings. In parallel with the numerical results and their analysis we compare the numerical schemes themselves in terms of their inherent structures, applied approximations, and truncation errors.
Numerical simulation of multi-fluid shock-turbulence interaction
NASA Astrophysics Data System (ADS)
Tian, Yifeng; Jaberi, Farhad; Livescu, Daniel; Li, Zhaorui
2017-01-01
Accurate numerical simulation of multi-fluid Shock-Turbulence Interaction (STI) is conducted by a hybrid monotonicity preserving-compact finite difference scheme for a detailed study of STI in variable density flows. Theoretical and numerical assessments of data confirm that all turbulence scales as well as the STI are well captured by the computational method. Comparison of multi-fluid and single-fluid data indicates that the turbulent kinetic energy is amplified more and the scalar mixing is enhanced more by the shock in flows involving two different fluids/densities when compared with those observed in single-fluid flows.
The basic function scheme of polynomial type
WU, Wang-yi; Lin, Guang
2009-12-01
A new numerical method---Basic Function Method is proposed. This method can directly discrete differential operator on unstructured grids. By using the expansion of basic function to approach the exact function, the central and upwind schemes of derivative are constructed. By using the second-order polynomial as basic function and applying the technique of flux splitting method and the combination of central and upwind schemes to suppress the non-physical fluctuation near the shock wave, the second-order basic function scheme of polynomial type for solving inviscid compressible flow numerically is constructed in this paper. Several numerical results of many typical examples for two dimensional inviscid compressible transonic and supersonic steady flow illustrate that it is a new scheme with high accuracy and high resolution for shock wave. Especially, combining with the adaptive remeshing technique, the satisfactory results can be obtained by these schemes.
Minimal dissipation hybrid bicompact schemes for hyperbolic equations
NASA Astrophysics Data System (ADS)
Bragin, M. D.; Rogov, B. V.
2016-06-01
New monotonicity-preserving hybrid schemes are proposed for multidimensional hyperbolic equations. They are convex combinations of high-order accurate central bicompact schemes and upwind schemes of first-order accuracy in time and space. The weighting coefficients in these combinations depend on the local difference between the solutions produced by the high- and low-order accurate schemes at the current space-time point. The bicompact schemes are third-order accurate in time, while having the fourth order of accuracy and the first difference order in space. At every time level, they can be solved by marching in each spatial variable without using spatial splitting. The upwind schemes have minimal dissipation among all monotone schemes constructed on a minimum space-time stencil. The hybrid schemes constructed has been successfully tested as applied to a number of two-dimensional gas dynamics benchmark problems.
Compact high order schemes for the Euler equations
NASA Technical Reports Server (NTRS)
Abarbanel, Saul; Kumar, Ajay
1988-01-01
An implicit approximate factorization (AF) algorithm is constructed which has the following characteistics. In 2-D: The scheme is unconditionally stable, has a 3 x 3 stencil and at steady state has a fourth order spatial accuracy. The temporal evolution is time accurate either to first or second order through choice of parameter. In 3-D: The scheme has almost the same properties as in 2-D except that it is now only conditionally stable, with the stability condition (the CFL number) being dependent on the cell aspect ratios, delta y/delta x and delta z/delta x. The stencil is still compact and fourth order accuracy at steady state is maintained. Numerical experiments on a 2-D shock-reflection problem show the expected improvement over lower order schemes, not only in accuracy (measured by the L sub 2 error) but also in the dispersion. It is also shown how the same technique is immediately extendable to Runge-Kutta type schemes resulting in improved stability in addition to the enhanced accuracy.
Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion
NASA Astrophysics Data System (ADS)
Cui, Xia; Yuan, Guang-wei; Shen, Zhi-jun
2016-05-01
Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-order accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion.
Accurately measuring 'green' credentials.
Túnica, José; Planas, Carla; Clemente, Raquel
2013-08-01
In a slightly adapted version of article first published in the IFHE (International Federation of Hospital Engineering) Digest 2012, José Túnica, managing director, Carla Planas, BREEAM assessor, and Raquel Clemente, LEED AP BREEAM assessor, at Spanish independent engineering firm, JG Ingenieros, examine the impact on the design of hospitals and other healthcare buildings of some of the key environmental assessment schemes now in use internationally.
NASA Astrophysics Data System (ADS)
Trisjono, Philipp; Kang, Seongwon; Pitsch, Heinz
2016-12-01
The main objective of this study is to present an accurate and consistent numerical framework for turbulent reacting flows based on a high-order finite difference (HOFD) scheme. It was shown previously by Desjardins et al. (2008) [4] that a centered finite difference scheme discretely conserving the kinetic energy and an upwind-biased scheme for the scalar transport can be combined into a useful scheme for turbulent reacting flows. With a high-order spatial accuracy, however, an inconsistency among discretization schemes for different conservation laws is identified, which can disturb a scalar field spuriously under non-uniform density distribution. Various theoretical and numerical analyses are performed on the sources of the unphysical error. From this, the derivative of the mass-conserving velocity and the local Péclet number are identified as the primary factors affecting the error. As a solution, an HOFD stencil for the mass conservation is reformulated into a flux-based form that can be used consistently with an upwind-biased scheme for the scalar transport. The effectiveness of the proposed formulation is verified using two-dimensional laminar flows such as a scalar transport problem and a laminar premixed flame, where unphysical oscillations in the scalar fields are removed. The applicability of the proposed scheme is demonstrated in an LES of a turbulent stratified premixed flame.
High-Order Energy Stable WENO Schemes
NASA Technical Reports Server (NTRS)
Yamaleev, Nail K.; Carpenter, Mark H.
2008-01-01
A new third-order Energy Stable Weighted Essentially NonOscillatory (ESWENO) finite difference scheme for scalar and vector linear hyperbolic equations with piecewise continuous initial conditions is developed. The new scheme is proven to be stable in the energy norm for both continuous and discontinuous solutions. In contrast to the existing high-resolution shock-capturing schemes, no assumption that the reconstruction should be total variation bounded (TVB) is explicitly required to prove stability of the new scheme. A rigorous truncation error analysis is presented showing that the accuracy of the 3rd-order ESWENO scheme is drastically improved if the tuning parameters of the weight functions satisfy certain criteria. Numerical results show that the new ESWENO scheme is stable and significantly outperforms the conventional third-order WENO finite difference scheme of Jiang and Shu in terms of accuracy, while providing essentially nonoscillatory solutions near strong discontinuities.
Numerical Simulation of Shock-Cylinder Interactions. I. Resolution
NASA Astrophysics Data System (ADS)
Don, Wai Sun; Quillen, Carl B.
1995-12-01
We apply two different high-order shock capturing schemes to the study of a two-dimensional unsteady inviscid flow. In particular, we study the interaction of a planar shock with o cylindrical volume of a light gas (helium or hydrogen) contained in air. The two schemes used are the Chebyshev collocation method and the ENO finite difference scheme of Osher and Shu, and they are applied to a physical model consisting of the Euler equations with a real gas equation of state and multiple chemical species. The parallel implementation and low-level coding of the ENO scheme on the Thinking Machines CM-5 results in much higher performance than is possible on a standard serial or vector machine. The ENO code is compared with an existing experimental result and agrees well with it. The results of spectral and ENO calculations are then compared with each other at different resolutions for a Mach 2 interaction. The spectral scheme, though highly oscillatory in nature for discontinuous problems (Gibbs), accurately predicts both large and fine scale structures of the interaction between the shock and the light gas cylinder. Good results can be recovered from the spectral results by post-processing the raw numerical data to remove the Gibbs phenomena. These results are compared with the ENO schemes. The comparison is progressively better as the grid refinement and numerical order of the ENO scheme is increased. This demonstrates definitively the applicability and value of high order schemes to flows with shocks and complicated non-linear physics.
Numerical solutions of nonlinear wave equations
Kouri, D.J.; Zhang, D.S.; Wei, G.W.; Konshak, T.; Hoffman, D.K.
1999-01-01
Accurate, stable numerical solutions of the (nonlinear) sine-Gordon equation are obtained with particular consideration of initial conditions that are exponentially close to the phase space homoclinic manifolds. Earlier local, grid-based numerical studies have encountered difficulties, including numerically induced chaos for such initial conditions. The present results are obtained using the recently reported distributed approximating functional method for calculating spatial derivatives to high accuracy and a simple, explicit method for the time evolution. The numerical solutions are chaos-free for the same conditions employed in previous work that encountered chaos. Moreover, stable results that are free of homoclinic-orbit crossing are obtained even when initial conditions are within 10{sup {minus}7} of the phase space separatrix value {pi}. It also is found that the present approach yields extremely accurate solutions for the Korteweg{endash}de Vries and nonlinear Schr{umlt o}dinger equations. Our results support Ablowitz and co-workers{close_quote} conjecture that ensuring high accuracy of spatial derivatives is more important than the use of symplectic time integration schemes for solving solitary wave equations. {copyright} {ital 1999} {ital The American Physical Society}
Performance of Several High Order Numerical Methods for Supersonic Combustion
NASA Technical Reports Server (NTRS)
Sjoegreen, Bjoern; Yee, H. C.; Don, Wai Sun; Mansour, Nagi N. (Technical Monitor)
2001-01-01
The performance of two recently developed numerical methods by Yee et al. and Sjoegreen and Yee using postprocessing nonlinear filters is examined for a 2-D multiscale viscous supersonic react-live flow. These nonlinear filters can improve nonlinear instabilities and at the same time can capture shock/shear waves accurately. They do not, belong to the class of TVD, ENO or WENO schemes. Nevertheless, they combine stable behavior at discontinuities and detonation without smearing the smooth parts of the flow field. For the present study, we employ a fourth-order Runge-Kutta in time and a sixth-order non-dissipative spatial base scheme for the convection and viscous terms. We denote the resulting nonlinear filter schemes ACM466-RK4 and WAV66-RK4.
High-resolution shock-capturing schemes for inviscid and viscous hypersonic flows
NASA Technical Reports Server (NTRS)
Yee, H. C.; Klopfer, G. H.; Montagne, J.-L.
1988-01-01
A class of implicit Total Variation Diminishing (TVD) type algorithms suitable for transonic and supersonic multidimensional Euler and Navier-Stokes equations was extended to hypersonic computations. The improved conservative shock-capturing schemes are spatially second- and third-order, and are fully implicit. They can be first- or second-order accurate in time and are suitable for either steady or unsteady calculations. Enhancement of stability and convergence rate for hypersonic flows is discussed. With the proper choice of the temporal discretization and suitable implicit linearization, these schemes are fairly efficient and accurate for very complex two-dimensional hypersonic inviscid and viscous shock interactions. This study is complimented by a variety of steady and unsteady viscous and inviscid hypersonic blunt-body flow computations. Due to the inherent stiffness of viscous flow problems, numerical experiments indicated that the convergence rate is in general slower for viscous flows than for inviscid steady flows.
Implementation of the high-order schemes QUICK and LECUSSO in the COMMIX-1C Program
Sakai, K.; Sun, J.G.; Sha, W.T.
1995-08-01
Multidimensional analysis computer programs based on the finite volume method, such as COMMIX-1C, have been commonly used to simulate thermal-hydraulic phenomena in engineering systems such as nuclear reactors. In COMMIX-1C, the first-order schemes with respect to both space and time are used. In many situations such as flow recirculations and stratifications with steep gradient of velocity and temperature fields, however, high-order difference schemes are necessary for an accurate prediction of the fields. For these reasons, two second-order finite difference numerical schemes, QUICK (Quadratic Upstream Interpolation for Convective Kinematics) and LECUSSO (Local Exact Consistent Upwind Scheme of Second Order), have been implemented in the COMMIX-1C computer code. The formulations were derived for general three-dimensional flows with nonuniform grid sizes. Numerical oscillation analyses for QUICK and LECUSSO were performed. To damp the unphysical oscillations which occur in calculations with high-order schemes at high mesh Reynolds numbers, a new FRAM (Filtering Remedy and Methodology) scheme was developed and implemented. To be consistent with the high-order schemes, the pressure equation and the boundary conditions for all the conservation equations were also modified to be of second order. The new capabilities in the code are listed. Test calculations were performed to validate the implementation of the high-order schemes. They include the test of the one-dimensional nonlinear Burgers equation, two-dimensional scalar transport in two impinging streams, von Karmann vortex shedding, shear driven cavity flow, Couette flow, and circular pipe flow. The calculated results were compared with available data; the agreement is good.
Multi-stage high order semi-Lagrangian schemes for incompressible flows in Cartesian geometries
NASA Astrophysics Data System (ADS)
Cameron, Alexandre; Raynaud, Raphaël; Dormy, Emmanuel
2016-12-01
Efficient transport algorithms are essential to the numerical resolution of incompressible fluid flow problems. Semi-Lagrangian methods are widely used in grid based methods to achieve this aim. The accuracy of the interpolation strategy then determines the properties of the scheme. We introduce a simple multi-stage procedure which can easily be used to increase the order of accuracy of a code based on multi-linear interpolations. This approach is an extension of a corrective algorithm introduced by Dupont \\& Liu (2003, 2007). This multi-stage procedure can be easily implemented in existing parallel codes using a domain decomposition strategy, as the communications pattern is identical to that of the multi-linear scheme. We show how a combination of a forward and backward error correction can provide a third-order accurate scheme, thus significantly reducing diffusive effects while retaining a non-dispersive leading error term.
A classification scheme for chimera states
NASA Astrophysics Data System (ADS)
Kemeth, Felix P.; Haugland, Sindre W.; Schmidt, Lennart; Kevrekidis, Ioannis G.; Krischer, Katharina
2016-09-01
We present a universal characterization scheme for chimera states applicable to both numerical and experimental data sets. The scheme is based on two correlation measures that enable a meaningful definition of chimera states as well as their classification into three categories: stationary, turbulent, and breathing. In addition, these categories can be further subdivided according to the time-stationarity of these two measures. We demonstrate that this approach is both consistent with previously recognized chimera states and enables us to classify states as chimeras which have not been categorized as such before. Furthermore, the scheme allows for a qualitative and quantitative comparison of experimental chimeras with chimeras obtained through numerical simulations.
Invariant Discretization Schemes Using Evolution-Projection Techniques
NASA Astrophysics Data System (ADS)
Bihlo, Alexander; Nave, Jean-Christophe
2013-08-01
Finite difference discretization schemes preserving a subgroup of the maximal Lie invariance group of the one-dimensional linear heat equation are determined. These invariant schemes are constructed using the invariantization procedure for non-invariant schemes of the heat equation in computational coordinates. We propose a new methodology for handling moving discretization grids which are generally indispensable for invariant numerical schemes. The idea is to use the invariant grid equation, which determines the locations of the grid point at the next time level only for a single integration step and then to project the obtained solution to the regular grid using invariant interpolation schemes. This guarantees that the scheme is invariant and allows one to work on the simpler stationary grids. The discretization errors of the invariant schemes are established and their convergence rates are estimated. Numerical tests are carried out to shed some light on the numerical p! roperties of invariant discretization schemes using the proposed evolution-projection strategy.
Performance of Low Dissipative High Order Shock-Capturing Schemes for Shock-Turbulence Interactions
NASA Technical Reports Server (NTRS)
Sandham, N. D.; Yee, H. C.
1998-01-01
Accurate and efficient direct numerical simulation of turbulence in the presence of shock waves represents a significant challenge for numerical methods. The objective of this paper is to evaluate the performance of high order compact and non-compact central spatial differencing employing total variation diminishing (TVD) shock-capturing dissipations as characteristic based filters for two model problems combining shock wave and shear layer phenomena. A vortex pairing model evaluates the ability of the schemes to cope with shear layer instability and eddy shock waves, while a shock wave impingement on a spatially-evolving mixing layer model studies the accuracy of computation of vortices passing through a sequence of shock and expansion waves. A drastic increase in accuracy is observed if a suitable artificial compression formulation is applied to the TVD dissipations. With this modification to the filter step the fourth-order non-compact scheme shows improved results in comparison to second-order methods, while retaining the good shock resolution of the basic TVD scheme. For this characteristic based filter approach, however, the benefits of compact schemes or schemes with higher than fourth order are not sufficient to justify the higher complexity near the boundary and/or the additional computational cost.
On Tenth Order Central Spatial Schemes
Sjogreen, B; Yee, H C
2007-05-14
This paper explores the performance of the tenth-order central spatial scheme and derives the accompanying energy-norm stable summation-by-parts (SBP) boundary operators. The objective is to employ the resulting tenth-order spatial differencing with the stable SBP boundary operators as a base scheme in the framework of adaptive numerical dissipation control in high order multistep filter schemes of Yee et al. (1999), Yee and Sj{umlt o}green (2002, 2005, 2006, 2007), and Sj{umlt o}green and Yee (2004). These schemes were designed for multiscale turbulence flows including strong shock waves and combustion.
Reliable numerical computation in an optimal output-feedback design
NASA Technical Reports Server (NTRS)
Vansteenwyk, Brett; Ly, Uy-Loi
1991-01-01
A reliable algorithm is presented for the evaluation of a quadratic performance index and its gradients with respect to the controller design parameters. The algorithm is a part of a design algorithm for optimal linear dynamic output-feedback controller that minimizes a finite-time quadratic performance index. The numerical scheme is particularly robust when it is applied to the control-law synthesis for systems with densely packed modes and where there is a high likelihood of encountering degeneracies in the closed-loop eigensystem. This approach through the use of an accurate Pade series approximation does not require the closed-loop system matrix to be diagonalizable. The algorithm was included in a control design package for optimal robust low-order controllers. Usefulness of the proposed numerical algorithm was demonstrated using numerous practical design cases where degeneracies occur frequently in the closed-loop system under an arbitrary controller design initialization and during the numerical search.
Accurate Finite Difference Algorithms
NASA Technical Reports Server (NTRS)
Goodrich, John W.
1996-01-01
Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.
Accurate monotone cubic interpolation
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1991-01-01
Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.
An improved approximation scheme for the centrifugal term and the Hulthén potential
NASA Astrophysics Data System (ADS)
Ikhdair, S. M.
2009-03-01
We present a new approximation scheme for the centrifugal term to solve the Schrödinger equation with the Hulthén potential for any arbitrary l -state by means of a mathematical Nikiforov-Uvarov (NU) method. We obtain the bound-state energy eigenvalues and the normalized corresponding eigenfunctions expressed in terms of the Jacobi polynomials or hypergeometric functions for a particle exposed to this potential field. Our numerical results of the energy eigenvalues are found to be in high agreement with those results obtained by using the program based on a numerical integration procedure. The s -wave ( l = 0analytic solution for the binding energies and eigenfunctions of a particle are also calculated. The physical meaning of the approximate analytical solution is discussed. The present approximation scheme is systematic and accurate.
NASA Technical Reports Server (NTRS)
Amitai, Dganit; Averbuch, Amir; Itzikowitz, Samuel; Turkel, Eli
1991-01-01
A major problem in achieving significant speed-up on parallel machines is the overhead involved with synchronizing the concurrent process. Removing the synchronization constraint has the potential of speeding up the computation. The authors present asynchronous (AS) and corrected-asynchronous (CA) finite difference schemes for the multi-dimensional heat equation. Although the discussion concentrates on the Euler scheme for the solution of the heat equation, it has the potential for being extended to other schemes and other parabolic partial differential equations (PDEs). These schemes are analyzed and implemented on the shared memory multi-user Sequent Balance machine. Numerical results for one and two dimensional problems are presented. It is shown experimentally that the synchronization penalty can be about 50 percent of run time: in most cases, the asynchronous scheme runs twice as fast as the parallel synchronous scheme. In general, the efficiency of the parallel schemes increases with processor load, with the time level, and with the problem dimension. The efficiency of the AS may reach 90 percent and over, but it provides accurate results only for steady-state values. The CA, on the other hand, is less efficient, but provides more accurate results for intermediate (non steady-state) values.
Accurate ab Initio Spin Densities.
Boguslawski, Katharina; Marti, Konrad H; Legeza, Ors; Reiher, Markus
2012-06-12
We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740].
Splined version of FLEXSTAB: A critical analysis of alternate schemes
NASA Technical Reports Server (NTRS)
Weber, J. A.
1977-01-01
Recommendations are made for improved aerodynamic models and numerical schemes to be considered for inclusion into the FLEXSTAB computer program system. These recommendations are based on a critical analysis of numerical technology.
Conservative high-order-accurate finite-difference methods for curvilinear grids
NASA Technical Reports Server (NTRS)
Rai, Man M.; Chakrvarthy, Sukumar
1993-01-01
Two fourth-order-accurate finite-difference methods for numerically solving hyperbolic systems of conservation equations on smooth curvilinear grids are presented. The first method uses the differential form of the conservation equations; the second method uses the integral form of the conservation equations. Modifications to these schemes, which are required near boundaries to maintain overall high-order accuracy, are discussed. An analysis that demonstrates the stability of the modified schemes is also provided. Modifications to one of the schemes to make it total variation diminishing (TVD) are also discussed. Results that demonstrate the high-order accuracy of both schemes are included in the paper. In particular, a Ringleb-flow computation demonstrates the high-order accuracy and the stability of the boundary and near-boundary procedures. A second computation of supersonic flow over a cylinder demonstrates the shock-capturing capability of the TVD methodology. An important contribution of this paper is the dear demonstration that higher order accuracy leads to increased computational efficiency.
NASA Astrophysics Data System (ADS)
Gharamti, M. E.; Valstar, J.; Hoteit, I.
2014-09-01
Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system’s parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Simulation results demonstrate that the proposed hybrid EnKF-OI scheme successfully recovers both the contaminant and the sorption rate and reduces their uncertainties. Sensitivity analyses also suggest that the adaptive hybrid scheme remains effective with small ensembles, allowing to reduce the ensemble size by up to 80% with respect to the standard EnKF scheme.
NASA Technical Reports Server (NTRS)
Przekwas, A. J.; Yang, H. Q.
1989-01-01
The capability of accurate nonlinear flow analysis of resonance systems is essential in many problems, including combustion instability. Classical numerical schemes are either too diffusive or too dispersive especially for transient problems. In the last few years, significant progress has been made in the numerical methods for flows with shocks. The objective was to assess advanced shock capturing schemes on transient flows. Several numerical schemes were tested including TVD, MUSCL, ENO, FCT, and Riemann Solver Godunov type schemes. A systematic assessment was performed on scalar transport, Burgers' and gas dynamic problems. Several shock capturing schemes are compared on fast transient resonant pipe flow problems. A system of 1-D nonlinear hyperbolic gas dynamics equations is solved to predict propagation of finite amplitude waves, the wave steepening, formation, propagation, and reflection of shocks for several hundred wave cycles. It is shown that high accuracy schemes can be used for direct, exact nonlinear analysis of combustion instability problems, preserving high harmonic energy content for long periods of time.
Solution of groundwater-flow equations using an orthogonal finite-element scheme
Yeh, G.T.
1983-01-01
A new finite-element scheme is presented for approximating the groundwater-flow equation, that will result in a matrix having the properties of the positive type and diagonal dominance. Because of these properties, the matrix equation is amenable to the pointwise iteration solution strategies. This scheme differs from the standard Galerkin scheme in that discretization is performed using a general weighted residual procedure and weighting functions orthogonal to basis functions. Numerical results have been obtained for two verification examples and are compared with results using the conventional Galerkin scheme and with analytical solutions. It is shown that both the direct elimination and pointwise iteration solutions of the new orthogonal finite-element equation yield as accurate results as those obtained by the direct elimination solution of the Galerkin finite-element scheme. However, while the pointwise iteration solution of the Galerkin finite-element method converges for one example, it generated divergent solutions for the other. A demonstration example of steady-state flow in a homogeneous medium is used to compare the utility and versatility of the new scheme with the conventional Galerkin finite-element method.
ADER-WENO finite volume schemes with space-time adaptive mesh refinement
NASA Astrophysics Data System (ADS)
Dumbser, Michael; Zanotti, Olindo; Hidalgo, Arturo; Balsara, Dinshaw S.
2013-09-01
We present the first high order one-step ADER-WENO finite volume scheme with adaptive mesh refinement (AMR) in multiple space dimensions. High order spatial accuracy is obtained through a WENO reconstruction, while a high order one-step time discretization is achieved using a local space-time discontinuous Galerkin predictor method. Due to the one-step nature of the underlying scheme, the resulting algorithm is particularly well suited for an AMR strategy on space-time adaptive meshes, i.e. with time-accurate local time stepping. The AMR property has been implemented 'cell-by-cell', with a standard tree-type algorithm, while the scheme has been parallelized via the message passing interface (MPI) paradigm. The new scheme has been tested over a wide range of examples for nonlinear systems of hyperbolic conservation laws, including the classical Euler equations of compressible gas dynamics and the equations of magnetohydrodynamics (MHD). High order in space and time have been confirmed via a numerical convergence study and a detailed analysis of the computational speed-up with respect to highly refined uniform meshes is also presented. We also show test problems where the presented high order AMR scheme behaves clearly better than traditional second order AMR methods. The proposed scheme that combines for the first time high order ADER methods with space-time adaptive grids in two and three space dimensions is likely to become a useful tool in several fields of computational physics, applied mathematics and mechanics.
Numerical methods for the stochastic Landau-Lifshitz Navier-Stokes equations.
Bell, John B; Garcia, Alejandro L; Williams, Sarah A
2007-07-01
The Landau-Lifshitz Navier-Stokes (LLNS) equations incorporate thermal fluctuations into macroscopic hydrodynamics by using stochastic fluxes. This paper examines explicit Eulerian discretizations of the full LLNS equations. Several computational fluid dynamics approaches are considered (including MacCormack's two-step Lax-Wendroff scheme and the piecewise parabolic method) and are found to give good results for the variance of momentum fluctuations. However, neither of these schemes accurately reproduces the fluctuations in energy or density. We introduce a conservative centered scheme with a third-order Runge-Kutta temporal integrator that does accurately produce fluctuations in density, energy, and momentum. A variety of numerical tests, including the random walk of a standing shock wave, are considered and results from the stochastic LLNS solver are compared with theory, when available, and with molecular simulations using a direct simulation Monte Carlo algorithm.
Numerical Simulation of a High Mach Number Jet Flow
NASA Technical Reports Server (NTRS)
Hayder, M. Ehtesham; Turkel, Eli; Mankbadi, Reda R.
1993-01-01
The recent efforts to develop accurate numerical schemes for transition and turbulent flows are motivated, among other factors, by the need for accurate prediction of flow noise. The success of developing high speed civil transport plane (HSCT) is contingent upon our understanding and suppression of the jet exhaust noise. The radiated sound can be directly obtained by solving the full (time-dependent) compressible Navier-Stokes equations. However, this requires computational storage that is beyond currently available machines. This difficulty can be overcome by limiting the solution domain to the near field where the jet is nonlinear and then use acoustic analogy (e.g., Lighthill) to relate the far-field noise to the near-field sources. The later requires obtaining the time-dependent flow field. The other difficulty in aeroacoustics computations is that at high Reynolds numbers the turbulent flow has a large range of scales. Direct numerical simulations (DNS) cannot obtain all the scales of motion at high Reynolds number of technological interest. However, it is believed that the large scale structure is more efficient than the small-scale structure in radiating noise. Thus, one can model the small scales and calculate the acoustically active scales. The large scale structure in the noise-producing initial region of the jet can be viewed as a wavelike nature, the net radiated sound is the net cancellation after integration over space. As such, aeroacoustics computations are highly sensitive to errors in computing the sound sources. It is therefore essential to use a high-order numerical scheme to predict the flow field. The present paper presents the first step in a ongoing effort to predict jet noise. The emphasis here is in accurate prediction of the unsteady flow field. We solve the full time-dependent Navier-Stokes equations by a high order finite difference method. Time accurate spatial simulations of both plane and axisymmetric jet are presented. Jet Mach
Numerical accuracy of mean-field calculations in coordinate space
NASA Astrophysics Data System (ADS)
Ryssens, W.; Heenen, P.-H.; Bender, M.
2015-12-01
Background: Mean-field methods based on an energy density functional (EDF) are powerful tools used to describe many properties of nuclei in the entirety of the nuclear chart. The accuracy required of energies for nuclear physics and astrophysics applications is of the order of 500 keV and much effort is undertaken to build EDFs that meet this requirement. Purpose: Mean-field calculations have to be accurate enough to preserve the accuracy of the EDF. We study this numerical accuracy in detail for a specific numerical choice of representation for mean-field equations that can accommodate any kind of symmetry breaking. Method: The method that we use is a particular implementation of three-dimensional mesh calculations. Its numerical accuracy is governed by three main factors: the size of the box in which the nucleus is confined, the way numerical derivatives are calculated, and the distance between the points on the mesh. Results: We examine the dependence of the results on these three factors for spherical doubly magic nuclei, neutron-rich 34Ne , the fission barrier of 240Pu , and isotopic chains around Z =50 . Conclusions: Mesh calculations offer the user extensive control over the numerical accuracy of the solution scheme. When appropriate choices for the numerical scheme are made the achievable accuracy is well below the model uncertainties of mean-field methods.
Dispersion-relation-preserving schemes for computational aeroacoustics
NASA Technical Reports Server (NTRS)
Tam, Christopher K. W.; Webb, Jay C.
1992-01-01
Finite difference schemes that have the same dispersion relations as the original partial differential equations are referred to as dispersion-relation-preserving (DRP) schemes. A method to construct time marching DRP schemes by optimizing the finite difference approximations of the space and time derivatives in the wave number and frequency space is presented. A sequence of numerical simulations is then performed.
NASA Astrophysics Data System (ADS)
Boscheri, Walter; Loubère, Raphaël; Dumbser, Michael
2015-07-01
In this paper we present a new family of efficient high order accurate direct Arbitrary-Lagrangian-Eulerian (ALE) one-step ADER-MOOD finite volume schemes for the solution of nonlinear hyperbolic systems of conservation laws for moving unstructured triangular and tetrahedral meshes. This family is the next generation of the ALE ADER-WENO schemes presented in [16,20]. Here, we use again an element-local space-time Galerkin finite element predictor method to achieve a high order accurate one-step time discretization, while the somewhat expensive WENO approach on moving meshes, used to obtain high order of accuracy in space, is replaced by an a posteriori MOOD loop which is shown to be less expensive but still as accurate. This a posteriori MOOD loop ensures the numerical solution in each cell at any discrete time level to fulfill a set of user-defined detection criteria. If a cell average does not satisfy the detection criteria, then the solution is locally re-computed by progressively decrementing the order of the polynomial reconstruction, following a so-called cascade of predefined schemes with decreasing approximation order. A so-called parachute scheme, typically a very robust first order Godunov-type finite volume method, is employed as a last resort for highly problematic cells. The cascade of schemes defines how the decrementing process is carried out, i.e. how many schemes are tried and which orders are adopted for the polynomial reconstructions. The cascade and the parachute scheme are choices of the user or the code developer. Consequently the iterative MOOD loop allows the numerical solution to maintain some interesting properties such as positivity, mesh validity, etc., which are otherwise difficult to ensure. We have applied our new high order unstructured direct ALE ADER-MOOD schemes to the multi-dimensional Euler equations of compressible gas dynamics. A large set of test problems has been simulated and analyzed to assess the validity of our approach
NASA Astrophysics Data System (ADS)
Mazaheri, Alireza; Nishikawa, Hiroaki
2015-11-01
In this paper, we construct second- and third-order hyperbolic residual-distribution schemes for general advection-diffusion problems on arbitrary triangular grids. We demonstrate that the accuracy of the second-order hyperbolic schemes in [J. Comput. Phys. 227 (2007) 315-352] and [J. Comput. Phys. 229 (2010) 3989-4016] can be greatly improved by requiring the scheme to preserve exact quadratic solutions. The improved second-order scheme can be easily extended to a third-order scheme by further requiring the exactness for cubic solutions. These schemes are constructed based on the SUPG methodology formulated in the framework of the residual-distribution method, and thus can be considered as economical and powerful alternatives to high-order finite-element methods. For both second- and third-order schemes, we construct a fully implicit solver by the exact residual Jacobian of the proposed second-order scheme, and demonstrate rapid convergence, typically with no more than 10-15 Newton iterations (and about 200-800 linear relaxations per Newton iteration), to reduce the residuals by ten orders of magnitude. We also demonstrate that these schemes can be constructed based on a separate treatment of the advective and diffusive terms, which paves the way for the construction of hyperbolic residual-distribution schemes for the compressible Navier-Stokes equations. Numerical results show that these schemes produce exceptionally accurate and smooth solution gradients on highly skewed and anisotropic triangular grids even for a curved boundary problem, without introducing curved elements. A quadratic reconstruction of the curved boundary normals and a high-order integration technique on curved boundaries are also provided in details.
Time domain numerical calculations of unsteady vortical flows about a flat plate airfoil
NASA Technical Reports Server (NTRS)
Hariharan, S. I.; Yu, Ping; Scott, J. R.
1989-01-01
A time domain numerical scheme is developed to solve for the unsteady flow about a flat plate airfoil due to imposed upstream, small amplitude, transverse velocity perturbations. The governing equation for the resulting unsteady potential is a homogeneous, constant coefficient, convective wave equation. Accurate solution of the problem requires the development of approximate boundary conditions which correctly model the physics of the unsteady flow in the far field. A uniformly valid far field boundary condition is developed, and numerical results are presented using this condition. The stability of the scheme is discussed, and the stability restriction for the scheme is established as a function of the Mach number. Finally, comparisons are made with the frequency domain calculation by Scott and Atassi, and the relative strengths and weaknesses of each approach are assessed.
NASA Technical Reports Server (NTRS)
Tam, Christopher K. W.; Aganin, Alexei
2000-01-01
The transonic nozzle transmission problem and the open rotor noise radiation problem are solved computationally. Both are multiple length scales problems. For efficient and accurate numerical simulation, the multiple-size-mesh multiple-time-step Dispersion-Relation-Preserving scheme is used to calculate the time periodic solution. To ensure an accurate solution, high quality numerical boundary conditions are also needed. For the nozzle problem, a set of nonhomogeneous, outflow boundary conditions are required. The nonhomogeneous boundary conditions not only generate the incoming sound waves but also, at the same time, allow the reflected acoustic waves and entropy waves, if present, to exit the computation domain without reflection. For the open rotor problem, there is an apparent singularity at the axis of rotation. An analytic extension approach is developed to provide a high quality axis boundary treatment.
An adaptive additive inflation scheme for Ensemble Kalman Filters
NASA Astrophysics Data System (ADS)
Sommer, Matthias; Janjic, Tijana
2016-04-01
Data assimilation for atmospheric dynamics requires an accurate estimate for the uncertainty of the forecast in order to obtain an optimal combination with available observations. This uncertainty has two components, firstly the uncertainty which originates in the the initial condition of that forecast itself and secondly the error of the numerical model used. While the former can be approximated quite successfully with an ensemble of forecasts (an additional sampling error will occur), little is known about the latter. For ensemble data assimilation, ad-hoc methods to address model error include multiplicative and additive inflation schemes, possibly also flow-dependent. The additive schemes rely on samples for the model error e.g. from short-term forecast tendencies or differences of forecasts with varying resolutions. However since these methods work in ensemble space (i.e. act directly on the ensemble perturbations) the sampling error is fixed and can be expected to affect the skill substiantially. In this contribution we show how inflation can be generalized to take into account more degrees of freedom and what improvements for future operational ensemble data assimilation can be expected from this, also in comparison with other inflation schemes.
Cartesian grid method for gas kinetic scheme on irregular geometries
NASA Astrophysics Data System (ADS)
Chen, Songze; Xu, Kun; Li, Zhihui
2016-12-01
A Cartesian grid method combined with a simplified gas kinetic scheme is presented for subsonic and supersonic viscous flow simulation on complex geometries. Under the Cartesian mesh, the boundaries are represented by a set of direction-oriented boundary points, and the computational grid points are classified into four different categories, the fluid point, the solid point, the drop point, and the interpolation point. A constrained weighted least square method is employed to evaluate the physical quantities at the interpolation points. Different boundary conditions, including isothermal boundary, adiabatic boundary, and Euler slip boundary, are presented by different interpolation strategies. We adopt a simplified gas kinetic scheme as the flux solver for both subsonic and supersonic flow computations. The methodology of constructing a simplified kinetic flux function can be extended to other flow systems. A few numerical examples are used to validate the Cartesian grid method and the simplified flux solver. The reconstruction scheme for recovering the boundary conditions of compressible viscous and heat conducting flow with a Cartesian mesh can provide a smooth distribution of physical quantities at solid boundary, and present an accurate solution for the flow study with complex geometry.
Numerical discretization for nonlinear diffusion filter
NASA Astrophysics Data System (ADS)
Mustaffa, I.; Mizuar, I.; Aminuddin, M. M. M.; Dasril, Y.
2015-05-01
Nonlinear diffusion filters are famously used in machine vision for image denoising and restoration. This paper presents a study on the effects of different numerical discretization of nonlinear diffusion filter. Several numerical discretization schemes are presented; namely semi-implicit, AOS, and fully implicit schemes. The results of these schemes are compared by visual results, objective measurement e.g. PSNR and MSE. The results are also compared to a Daubechies wavelet denoising method. It is acknowledged that the two preceding scheme have already been discussed in literature, however comparison to the latter scheme has not been made. The semi-implicit scheme uses an additive operator splitting (AOS) developed to overcome the shortcoming of the explicit scheme i.e., stability for very small time steps. Although AOS has proven to be efficient, from the nonlinear diffusion filter results with different discretization schemes, examples shows that implicit schemes are worth pursuing.
Accurate numerical solutions for elastic-plastic models. [LMFBR
Schreyer, H. L.; Kulak, R. F.; Kramer, J. M.
1980-03-01
The accuracy of two integration algorithms is studied for the common engineering condition of a von Mises, isotropic hardening model under plane stress. Errors in stress predictions for given total strain increments are expressed with contour plots of two parameters: an angle in the pi plane and the difference between the exact and computed yield-surface radii. The two methods are the tangent-predictor/radial-return approach and the elastic-predictor/radial-corrector algorithm originally developed by Mendelson. The accuracy of a combined tangent-predictor/radial-corrector algorithm is also investigated.
Numerical assessment of accurate measurements of laminar flame speed
NASA Astrophysics Data System (ADS)
Goulier, Joules; Bizon, Katarzyna; Chaumeix, Nabiha; Meynet, Nicolas; Continillo, Gaetano
2016-12-01
In combustion, the laminar flame speed constitutes an important parameter that reflects the chemistry of oxidation for a given fuel, along with its transport and thermal properties. Laminar flame speeds are used (i) in turbulent models used in CFD codes, and (ii) to validate detailed or reduced mechanisms, often derived from studies using ideal reactors and in diluted conditions as in jet stirred reactors and in shock tubes. End-users of such mechanisms need to have an assessment of their capability to predict the correct heat released by combustion in realistic conditions. In this view, the laminar flame speed constitutes a very convenient parameter, and it is then very important to have a good knowledge of the experimental errors involved with its determination. Stationary configurations (Bunsen burners, counter-flow flames, heat flux burners) or moving flames (tubes, spherical vessel, soap bubble) can be used. The spherical expanding flame configuration has recently become popular, since it can be used at high pressures and temperatures. With this method, the flame speed is not measured directly, but derived through the recording of the flame radius. The method used to process the radius history will have an impact on the estimated flame speed. Aim of this work is to propose a way to derive the laminar flame speed from experimental recording of expanding flames, and to assess the error magnitude.
Accurate quantum chemical calculations
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.
NASA Technical Reports Server (NTRS)
Constantinescu, G.S.; Lele, S. K.
2000-01-01
The motivation of this work is the ongoing effort at the Center for Turbulence Research (CTR) to use large eddy simulation (LES) techniques to calculate the noise radiated by jet engines. The focus on engine exhaust noise reduction is motivated by the fact that a significant reduction has been achieved over the last decade on the other main sources of acoustic emissions of jet engines, such as the fan and turbomachinery noise, which gives increased priority to jet noise. To be able to propose methods to reduce the jet noise based on results of numerical simulations, one first has to be able to accurately predict the spatio-temporal distribution of the noise sources in the jet. Though a great deal of understanding of the fundamental turbulence mechanisms in high-speed jets was obtained from direct numerical simulations (DNS) at low Reynolds numbers, LES seems to be the only realistic available tool to obtain the necessary near-field information that is required to estimate the acoustic radiation of the turbulent compressible engine exhaust jets. The quality of jet-noise predictions is determined by the accuracy of the numerical method that has to capture the wide range of pressure fluctuations associated with the turbulence in the jet and with the resulting radiated noise, and by the boundary condition treatment and the quality of the mesh. Higher Reynolds numbers and coarser grids put in turn a higher burden on the robustness and accuracy of the numerical method used in this kind of jet LES simulations. As these calculations are often done in cylindrical coordinates, one of the most important requirements for the numerical method is to provide a flow solution that is not contaminated by numerical artifacts. The coordinate singularity is known to be a source of such artifacts. In the present work we use 6th order Pade schemes in the non-periodic directions to discretize the full compressible flow equations. It turns out that the quality of jet-noise predictions
Khadke, Piyush; Patne, Nita; Singh, Arvind; Shinde, Gulab
2016-01-01
In this article, a novel and accurate scheme for fault detection, classification and fault distance estimation for a fixed series compensated transmission line is proposed. The proposed scheme is based on artificial neural network (ANN) and metal oxide varistor (MOV) energy, employing Levenberg-Marquardt training algorithm. The novelty of this scheme is the use of MOV energy signals of fixed series capacitors (FSC) as input to train the ANN. Such approach has never been used in any earlier fault analysis algorithms in the last few decades. Proposed scheme uses only single end measurement energy signals of MOV in all the 3 phases over one cycle duration from the occurrence of a fault. Thereafter, these MOV energy signals are fed as input to ANN for fault distance estimation. Feasibility and reliability of the proposed scheme have been evaluated for all ten types of fault in test power system model at different fault inception angles over numerous fault locations. Real transmission system parameters of 3-phase 400 kV Wardha-Aurangabad transmission line (400 km) with 40 % FSC at Power Grid Wardha Substation, India is considered for this research. Extensive simulation experiments show that the proposed scheme provides quite accurate results which demonstrate complete protection scheme with high accuracy, simplicity and robustness.
The numerical analysis of a turbulent compressible jet
NASA Astrophysics Data System (ADS)
Debonis, James Raymond
2000-10-01
A numerical method to simulate high Reynolds number jet flows was formulated and applied to gain a better understanding of the flow physics. Large-eddy simulation was chosen as the most promising approach to model the turbulent structures due to its compromise between accuracy and computational expense. The filtered Navier-Stokes equations were developed including a total energy form of the energy equation. Sub-grid scale models for the momentum and energy equations were adapted from compressible forms of Smagorinsky's original model. The effect of using disparate temporal and spatial accuracy in a numerical scheme was discovered through one-dimensional model problems and a new uniformly fourth-order accurate numerical method was developed. Results from two and three dimensional validation exercises show that the code accurately reproduces both viscous and inviscid flows. Numerous axisymmetric jet simulations were performed to investigate the effect of grid resolution, numerical scheme, exit boundary conditions and sub-grid scale modeling on the solution and the results were used to guide the three-dimensional calculations. Three-dimensional calculations of a Mach 1.4 jet showed that this LES simulation accurately captures the physics of the turbulent flow. The agreement with experimental data relatively good and is much better than results in the current literature. Turbulent intensities indicate that the turbulent structures at this level of modeling are not isotropic and this information could lend itself to the development of improved sub-grid scale models for LES and turbulence models for RANS simulations. A two point correlation technique was used to quantify the turbulent structures. Two point space correlations were used to obtain a measure of the integral length scale, which proved to be approximately ½Dj. Two point space-time correlations were used to obtain the convection velocity for the turbulent structures. This velocity ranged from 0.57 to 0.71 Uj.
Soil Moisture Prediction in the Soil, Vegetation and Snow (SVS) Scheme
NASA Astrophysics Data System (ADS)
Alavi, Nasim; Bélair, Stéphane; Fortin, Vincent; Zhang, Shunli; Husain, Syed; Carrera, Marco; Abrahamowicz, Maria
2016-04-01
A new land surface scheme has been developed at Environment of Canada to provide surface fluxes of momentum, heat and moisture for the Global Environmental Multiscale (GEM) atmospheric model. In this study, the performance of the soil, vegetation and snow (SVS) scheme in estimating surface and root-zone soil moisture is evaluated against the ISBA (Interactions between Surface, Biosphere, and Atmosphere) scheme currently used operationally within GEM for numerical weather prediction. In addition, the sensitivity of SVS soil moisture results to soil texture and vegetation data sources (type and fractional coverage) has been explored. The performance of SVS and ISBA was assessed against a large set of in situ as well as brightness temperature data from the Soil Moisture and Ocean Salinity (SMOS) satellite over North America. The results indicate that SVS estimates the time evolution of soil moisture more accurately, and compared to ISBA results in higher correlations with observations and reduced errors. The sensitivity tests carried out during this study revealed that SVS soil moisture results are not affected significantly by the soil texture data from different sources. The vegetation data source, however, has a major impact on the soil moisture results predicted by SVS, and accurate specification of vegetation characteristics is crucial for accurate soil moisture prediction.
Numerical methods for hypersonic boundary layer stability
NASA Technical Reports Server (NTRS)
Malik, M. R.
1990-01-01
Four different schemes for solving compressible boundary layer stability equations are developed and compared, considering both the temporal and spatial stability for a global eigenvalue spectrum and a local eigenvalue search. The discretizations considered encompass: (1) a second-order-staggered finite-difference scheme; (2) a fourth-order accurate, two-point compact scheme; (3) a single-domain Chebychev spectral collocation scheme; and (4) a multidomain spectral collocation scheme. As Mach number increases, the performance of the single-domain collocation scheme deteriorates due to the outward movement of the critical layer; a multidomain spectral method is accordingly designed to furnish superior resolution of the critical layer.
BIOACCESSIBILITY TESTS ACCURATELY ESTIMATE ...
Hazards of soil-borne Pb to wild birds may be more accurately quantified if the bioavailability of that Pb is known. To better understand the bioavailability of Pb to birds, we measured blood Pb concentrations in Japanese quail (Coturnix japonica) fed diets containing Pb-contaminated soils. Relative bioavailabilities were expressed by comparison with blood Pb concentrations in quail fed a Pb acetate reference diet. Diets containing soil from five Pb-contaminated Superfund sites had relative bioavailabilities from 33%-63%, with a mean of about 50%. Treatment of two of the soils with P significantly reduced the bioavailability of Pb. The bioaccessibility of the Pb in the test soils was then measured in six in vitro tests and regressed on bioavailability. They were: the “Relative Bioavailability Leaching Procedure” (RBALP) at pH 1.5, the same test conducted at pH 2.5, the “Ohio State University In vitro Gastrointestinal” method (OSU IVG), the “Urban Soil Bioaccessible Lead Test”, the modified “Physiologically Based Extraction Test” and the “Waterfowl Physiologically Based Extraction Test.” All regressions had positive slopes. Based on criteria of slope and coefficient of determination, the RBALP pH 2.5 and OSU IVG tests performed very well. Speciation by X-ray absorption spectroscopy demonstrated that, on average, most of the Pb in the sampled soils was sorbed to minerals (30%), bound to organic matter 24%, or present as Pb sulfate 18%. Ad
NASA Astrophysics Data System (ADS)
Canestrelli, Alberto; Dumbser, Michael; Siviglia, Annunziato; Toro, Eleuterio F.
2010-03-01
In this paper, we study the numerical approximation of the two-dimensional morphodynamic model governed by the shallow water equations and bed-load transport following a coupled solution strategy. The resulting system of governing equations contains non-conservative products and it is solved simultaneously within each time step. The numerical solution is obtained using a new high-order accurate centered scheme of the finite volume type on unstructured meshes, which is an extension of the one-dimensional PRICE-C scheme recently proposed in Canestrelli et al. (2009) [5]. The resulting first-order accurate centered method is then extended to high order of accuracy in space via a high order WENO reconstruction technique and in time via a local continuous space-time Galerkin predictor method. The scheme is applied to the shallow water equations and the well-balanced properties of the method are investigated. Finally, we apply the new scheme to different test cases with both fixed and movable bed. An attractive future of the proposed method is that it is particularly suitable for engineering applications since it allows practitioners to adopt the most suitable sediment transport formula which better fits the field data.
On Spurious Numerics in Solving Reactive Equations
NASA Technical Reports Server (NTRS)
Kotov, D. V; Yee, H. C.; Wang, W.; Shu, C.-W.
2013-01-01
The objective of this study is to gain a deeper understanding of the behavior of high order shock-capturing schemes for problems with stiff source terms and discontinuities and on corresponding numerical prediction strategies. The studies by Yee et al. (2012) and Wang et al. (2012) focus only on solving the reactive system by the fractional step method using the Strang splitting (Strang 1968). It is a common practice by developers in computational physics and engineering simulations to include a cut off safeguard if densities are outside the permissible range. Here we compare the spurious behavior of the same schemes by solving the fully coupled reactive system without the Strang splitting vs. using the Strang splitting. Comparison between the two procedures and the effects of a cut off safeguard is the focus the present study. The comparison of the performance of these schemes is largely based on the degree to which each method captures the correct location of the reaction front for coarse grids. Here "coarse grids" means standard mesh density requirement for accurate simulation of typical non-reacting flows of similar problem setup. It is remarked that, in order to resolve the sharp reaction front, local refinement beyond standard mesh density is still needed.
Numerical studies of 2-dimensional flows
NASA Technical Reports Server (NTRS)
Moretti, G.
1985-01-01
A formulation of the lambda scheme for the analysis of two dimensional inviscid, compressible, unsteady transonic flows is presented. The scheme uses generalized Riemann variables to determine the appropriate two point, one sided finite difference approximation for each derivative in the unsteady Euler equations. These finite differences are applied at the predictor and corrector levels with shock updating at each level. The weaker oblique shocks are captured, but strong near normal shocks are fitted into the flow using the Rankine-Hugoniot relations. This code is demonstrated with a numerical example of a duct flow problem with developing normal and oblique shock waves. The technique is implemented in a code which has been made efficient by streamlining to a minimal number of operations and by eliminating branch statements. The scheme is shown to provide an accurate analysis of the flow, including formation, motions, and interactions of shocks; the results obtained on a relatively coarse mesh are comparable to those obtained by other methods on much finer meshes.
Dynamic Restarting Schemes for Eigenvalue Problems
Wu, Kesheng; Simon, Horst D.
1999-03-10
In studies of restarted Davidson method, a dynamic thick-restart scheme was found to be excellent in improving the overall effectiveness of the eigen value method. This paper extends the study of the dynamic thick-restart scheme to the Lanczos method for symmetric eigen value problems and systematically explore a range of heuristics and strategies. We conduct a series of numerical tests to determine their relative strength and weakness on a class of electronic structure calculation problems.
Finance schemes for funding private orthodontic treatment.
Perks, S
1997-02-01
Over the last ten years there has been a steady increase in the volume of private dental treatment and numerous finance schemes have been developed to help both patients and dentists. Private orthodontic treatment is increasing and the purpose of this article is to summarise the main features of the schemes currently available to fund private orthodontic treatment and to provide a source of reference.
A simple extension of Roe's scheme for real gases
NASA Astrophysics Data System (ADS)
Arabi, Sina; Trépanier, Jean-Yves; Camarero, Ricardo
2017-01-01
The purpose of this paper is to develop a highly accurate numerical algorithm to model real gas flows in local thermodynamic equilibrium (LTE). The Euler equations are solved using a finite volume method based on Roe's flux difference splitting scheme including real gas effects. A novel algorithm is proposed to calculate the Jacobian matrix which satisfies the flux difference splitting exactly in the average state for a general equation of state. This algorithm increases the robustness and accuracy of the method, especially around the contact discontinuities and shock waves where the gas properties jump appreciably. The results are compared with an exact solution of the Riemann problem for the shock tube which considers the real gas effects. In addition, the method is applied to a blunt cone to illustrate the capability of the proposed extension in solving two dimensional flows.
Accurate spectral color measurements
NASA Astrophysics Data System (ADS)
Hiltunen, Jouni; Jaeaeskelaeinen, Timo; Parkkinen, Jussi P. S.
1999-08-01
Surface color measurement is of importance in a very wide range of industrial applications including paint, paper, printing, photography, textiles, plastics and so on. For a demanding color measurements spectral approach is often needed. One can measure a color spectrum with a spectrophotometer using calibrated standard samples as a reference. Because it is impossible to define absolute color values of a sample, we always work with approximations. The human eye can perceive color difference as small as 0.5 CIELAB units and thus distinguish millions of colors. This 0.5 unit difference should be a goal for the precise color measurements. This limit is not a problem if we only want to measure the color difference of two samples, but if we want to know in a same time exact color coordinate values accuracy problems arise. The values of two instruments can be astonishingly different. The accuracy of the instrument used in color measurement may depend on various errors such as photometric non-linearity, wavelength error, integrating sphere dark level error, integrating sphere error in both specular included and specular excluded modes. Thus the correction formulas should be used to get more accurate results. Another question is how many channels i.e. wavelengths we are using to measure a spectrum. It is obvious that the sampling interval should be short to get more precise results. Furthermore, the result we get is always compromise of measuring time, conditions and cost. Sometimes we have to use portable syste or the shape and the size of samples makes it impossible to use sensitive equipment. In this study a small set of calibrated color tiles measured with the Perkin Elmer Lamda 18 and the Minolta CM-2002 spectrophotometers are compared. In the paper we explain the typical error sources of spectral color measurements, and show which are the accuracy demands a good colorimeter should have.
High order accurate solutions of viscous problems
NASA Technical Reports Server (NTRS)
Hayder, M. E.; Turkel, Eli
1993-01-01
We consider a fourth order extension to MacCormack's scheme. The original extension was fourth order only for the inviscid terms but was second order for the viscous terms. We show how to modify the viscous terms so that the scheme is uniformly fourth order in the spatial derivatives. Applications are given to some boundary layer flows. In addition, for applications to shear flows the effect of the outflow boundary conditions are very important. We compare the accuracy of several of these different boundary conditions for both boundary layer and shear flows. Stretching at the outflow usually increases the oscillations in the numerical solution but the addition of a filtered sponge layer (with or without stretching) reduces such oscillations. The oscillations are generated by insufficient resolution of the shear layer. When the shear layer is sufficiently resolved then oscillations are not generated and there is less of a need for a nonreflecting boundary condition.
NASA Astrophysics Data System (ADS)
Schippmann, Bianca; Burchard, Hans
Modelling biogeochemical processes in the surface ocean is still a difficult task due to the challenge to identify the most convenient integration scheme for the reaction terms. The scheme is expected to deal with the model characteristics of positivity and conservativity as well as with the different time scales involved, which occur e.g., whenever photochemical reactions take place in the water column. This paper presents a numerical comparison of the Rosenbrock methods, ROS3 and ROS4, often used for solving chemical reactions, to the explicit fourth-order Runge-Kutta method and the unconditionally positive modified Patankar schemes. Following their successful application in air chemistry, we here test the hypothesis that the Rosenbrock methods are an optimal choice for marine biogeochemical modelling in terms of efficiency and accuracy. In this study the schemes are compared in terms of runtime and accuracy and are applied to two test cases of different complexity: a zero-dimensional nutrient-phytoplankton-detritus (NPD)-type model and a one-dimensional nutrient-phytoplankton-zooplankton-detritus (NPZD)-type model. Applying the Rosenbrock methods to the simple NPD model shows their advantage over the other applied methods. They give the most accurate results of all solvers, especially for large step sizes, in less computing time due to their semi-implicitness and adaptive step sizing. On the contrary, for the one-dimensional NPZD model problem this is only the case in comparison to the Runge-Kutta solver, while their performance is worse than that of the second-order modified Patankar scheme. They need longer runtimes than the latter ones in order to achieve similarly accurate results. However, the modified Patankar schemes are not conservative if the system reactions contain more than one source compound. Thus, for more complex marine biogeochemical problems, it is recommended to apply the Rosenbrock methods while for simpler models the use of the second
A diagonally inverted LU implicit multigrid scheme
NASA Technical Reports Server (NTRS)
Yokota, Jeffrey W.; Caughey, David A.; Chima, Rodrick V.
1988-01-01
A new Diagonally Inverted LU Implicit scheme is developed within the framework of the multigrid method for the 3-D unsteady Euler equations. The matrix systems that are to be inverted in the LU scheme are treated by local diagonalizing transformations that decouple them into systems of scalar equations. Unlike the Diagonalized ADI method, the time accuracy of the LU scheme is not reduced since the diagonalization procedure does not destroy time conservation. Even more importantly, this diagonalization significantly reduces the computational effort required to solve the LU approximation and therefore transforms it into a more efficient method of numerically solving the 3-D Euler equations.
NASA Astrophysics Data System (ADS)
El Gharamti, Mohamad; Valstar, Johan; Hoteit, Ibrahim
2014-05-01
Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system's parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Our results suggest that the proposed scheme allows a reduction of around 80% of the ensemble size as compared to the standard EnKF scheme.
A unified gas-kinetic scheme for continuum and rarefied flows
Xu Kun; Huang, J.-C.
2010-10-01
With discretized particle velocity space, a multiscale unified gas-kinetic scheme for entire Knudsen number flows is constructed based on the BGK model. The current scheme couples closely the update of macroscopic conservative variables with the update of microscopic gas distribution function within a time step. In comparison with many existing kinetic schemes for the Boltzmann equation, the current method has no difficulty to get accurate Navier-Stokes (NS) solutions in the continuum flow regime with a time step being much larger than the particle collision time. At the same time, the rarefied flow solution, even in the free molecule limit, can be captured accurately. The unified scheme is an extension of the gas-kinetic BGK-NS scheme from the continuum flow to the rarefied regime with the discretization of particle velocity space. The success of the method is due to the un-splitting treatment of the particle transport and collision in the evaluation of local solution of the gas distribution function. For these methods which use operator splitting technique to solve the transport and collision separately, it is usually required that the time step is less than the particle collision time. This constraint basically makes these methods useless in the continuum flow regime, especially in the high Reynolds number flow simulations. Theoretically, once the physical process of particle transport and collision is modeled statistically by the kinetic Boltzmann equation, the transport and collision become continuous operators in space and time, and their numerical discretization should be done consistently. Due to its multiscale nature of the unified scheme, in the update of macroscopic flow variables, the corresponding heat flux can be modified according to any realistic Prandtl number. Subsequently, this modification effects the equilibrium state in the next time level and the update of microscopic distribution function. Therefore, instead of modifying the collision term
Numerical applications of the advective-diffusive codes for the inner magnetosphere
NASA Astrophysics Data System (ADS)
Aseev, N. A.; Shprits, Y. Y.; Drozdov, A. Y.; Kellerman, A. C.
2016-11-01
In this study we present analytical solutions for convection and diffusion equations. We gather here the analytical solutions for the one-dimensional convection equation, the two-dimensional convection problem, and the one- and two-dimensional diffusion equations. Using obtained analytical solutions, we test the four-dimensional Versatile Electron Radiation Belt code (the VERB-4D code), which solves the modified Fokker-Planck equation with additional convection terms. The ninth-order upwind numerical scheme for the one-dimensional convection equation shows much more accurate results than the results obtained with the third-order scheme. The universal limiter eliminates unphysical oscillations generated by high-order linear upwind schemes. Decrease in the space step leads to convergence of a numerical solution of the two-dimensional diffusion equation with mixed terms to the analytical solution. We compare the results of the third- and ninth-order schemes applied to magnetospheric convection modeling. The results show significant differences in electron fluxes near geostationary orbit when different numerical schemes are used.
Comparative Study of Three High Order Schemes for LES of Temporally Evolving Mixing Layers
NASA Technical Reports Server (NTRS)
Yee, Helen M. C.; Sjogreen, Biorn Axel; Hadjadj, C.
2012-01-01
Three high order shock-capturing schemes are compared for large eddy simulations (LES) of temporally evolving mixing layers (TML) for different convective Mach numbers (Mc) ranging from the quasi-incompressible regime to highly compressible supersonic regime. The considered high order schemes are fifth-order WENO (WENO5), seventh-order WENO (WENO7) and the associated eighth-order central spatial base scheme with the dissipative portion of WENO7 as a nonlinear post-processing filter step (WENO7fi). This high order nonlinear filter method (H.C. Yee and B. Sjogreen, Proceedings of ICOSAHOM09, June 22-26, 2009, Trondheim, Norway) is designed for accurate and efficient simulations of shock-free compressible turbulence, turbulence with shocklets and turbulence with strong shocks with minimum tuning of scheme parameters. The LES results by WENO7fi using the same scheme parameter agree well with experimental results of Barone et al. (2006), and published direct numerical simulations (DNS) work of Rogers & Moser (1994) and Pantano & Sarkar (2002), whereas results by WENO5 and WENO7 compare poorly with experimental data and DNS computations.
A gas-kinetic BGK scheme for the compressible Navier-Stokes equations
NASA Technical Reports Server (NTRS)
Xu, Kun
2000-01-01
This paper presents an improved gas-kinetic scheme based on the Bhatnagar-Gross-Krook (BGK) model for the compressible Navier-Stokes equations. The current method extends the previous gas-kinetic Navier-Stokes solver developed by Xu and Prendergast by implementing a general nonequilibrium state to represent the gas distribution function at the beginning of each time step. As a result, the requirement in the previous scheme, such as the particle collision time being less than the time step for the validity of the BGK Navier-Stokes solution, is removed. Therefore, the applicable regime of the current method is much enlarged and the Navier-Stokes solution can be obtained accurately regardless of the ratio between the collision time and the time step. The gas-kinetic Navier-Stokes solver developed by Chou and Baganoff is the limiting case of the current method, and it is valid only under such a limiting condition. Also, in this paper, the appropriate implementation of boundary condition for the kinetic scheme, different kinetic limiting cases, and the Prandtl number fix are presented. The connection among artificial dissipative central schemes, Godunov-type schemes, and the gas-kinetic BGK method is discussed. Many numerical tests are included to validate the current method.
L. Pan; Y. Seol; G. Bodvarsson
2004-04-29
The dual-continuum random-walk particle tracking approach is an attractive simulation method for simulating transport in a fractured porous medium. In order to be truly successful for such a model, however, the key issue is to properly simulate the mass transfer between the fracture and matrix continua. In a recent paper, Pan and Bodvarsson (2002) proposed an improved scheme for simulating fracture-matrix mass transfer, by introducing the concept of activity range into the calculation of fracture-matrix particle-transfer probability. By comparing with analytical solutions, they showed that their scheme successfully captured the transient diffusion depth into the matrix without any additional subgrid (matrix) cells. This technical note presents an expansion of their scheme to cases in which significant water flow through the fracture-matrix interface exists. The dual-continuum particle tracker with this new scheme was found to be as accurate as a numerical model using a more detailed grid. The improved scheme can be readily incorporated into the existing particle-tracking code, while still maintaining the advantage of needing no additional matrix cells to capture transient features of particle penetration into the matrix.
Eno-Osher schemes for Euler equations
NASA Technical Reports Server (NTRS)
Vandervegt, Jacobus J.
1992-01-01
The combination of the Osher approximate Riemann solver for the Euler equations and various ENO schemes is discussed for one-dimensional flow. The three basic approaches, viz. the ENO scheme using primitive variable reconstruction, either with Cauchy-Kowalewski procedure for time integration or the TVD Runge-Kutta scheme, and the flux-ENO method are tested on different shock tube cases. The shock tube cases were chosen to present a serious challenge to the ENO schemes in order to test their ability to capture flow discontinuities, such as shocks. Also the effect of the ordering of the eigen values, viz. natural or reversed ordering, in the Osher scheme is investigated. The ENO schemes are tested up to fifth order accuracy in space and time. The ENO-Osher scheme using the Cauchy-Kowalewski procedure for time integration is found to be the most accurate and robust compared with the other methods and is also computationally efficient. The tests showed that the ENO schemes perform reasonably well, but have problems in cases where two discontinuities are close together. In that case there are not enough points in the smooth part of the flow to create a non-oscillatory interpolation.
Accurate direct Eulerian simulation of dynamic elastic-plastic flow
Kamm, James R; Walter, John W
2009-01-01
The simulation of dynamic, large strain deformation is an important, difficult, and unsolved computational challenge. Existing Eulerian schemes for dynamic material response are plagued by unresolved issues. We present a new scheme for the first-order system of elasto-plasticity equations in the Eulerian frame. This system has an intrinsic constraint on the inverse deformation gradient. Standard Godunov schemes do not satisfy this constraint. The method of Flux Distributions (FD) was devised to discretely enforce such constraints for numerical schemes with cell-centered variables. We describe a Flux Distribution approach that enforces the inverse deformation gradient constraint. As this approach is new and novel, we do not yet have numerical results to validate our claims. This paper is the first installment of our program to develop this new method.
A moving mesh unstaggered constrained transport scheme for magnetohydrodynamics
NASA Astrophysics Data System (ADS)
Mocz, Philip; Pakmor, Rüdiger; Springel, Volker; Vogelsberger, Mark; Marinacci, Federico; Hernquist, Lars
2016-11-01
We present a constrained transport (CT) algorithm for solving the 3D ideal magnetohydrodynamic (MHD) equations on a moving mesh, which maintains the divergence-free condition on the magnetic field to machine-precision. Our CT scheme uses an unstructured representation of the magnetic vector potential, making the numerical method simple and computationally efficient. The scheme is implemented in the moving mesh code AREPO. We demonstrate the performance of the approach with simulations of driven MHD turbulence, a magnetized disc galaxy, and a cosmological volume with primordial magnetic field. We compare the outcomes of these experiments to those obtained with a previously implemented Powell divergence-cleaning scheme. While CT and the Powell technique yield similar results in idealized test problems, some differences are seen in situations more representative of astrophysical flows. In the turbulence simulations, the Powell cleaning scheme artificially grows the mean magnetic field, while CT maintains this conserved quantity of ideal MHD. In the disc simulation, CT gives slower magnetic field growth rate and saturates to equipartition between the turbulent kinetic energy and magnetic energy, whereas Powell cleaning produces a dynamically dominant magnetic field. Such difference has been observed in adaptive-mesh refinement codes with CT and smoothed-particle hydrodynamics codes with divergence-cleaning. In the cosmological simulation, both approaches give similar magnetic amplification, but Powell exhibits more cell-level noise. CT methods in general are more accurate than divergence-cleaning techniques, and, when coupled to a moving mesh can exploit the advantages of automatic spatial/temporal adaptivity and reduced advection errors, allowing for improved astrophysical MHD simulations.
NASA Astrophysics Data System (ADS)
Lin, Xue-lei; Lu, Xin; Ng, Micheal K.; Sun, Hai-Wei
2016-10-01
A fast accurate approximation method with multigrid solver is proposed to solve a two-dimensional fractional sub-diffusion equation. Using the finite difference discretization of fractional time derivative, a block lower triangular Toeplitz matrix is obtained where each main diagonal block contains a two-dimensional matrix for the Laplacian operator. Our idea is to make use of the block ɛ-circulant approximation via fast Fourier transforms, so that the resulting task is to solve a block diagonal system, where each diagonal block matrix is the sum of a complex scalar times the identity matrix and a Laplacian matrix. We show that the accuracy of the approximation scheme is of O (ɛ). Because of the special diagonal block structure, we employ the multigrid method to solve the resulting linear systems. The convergence of the multigrid method is studied. Numerical examples are presented to illustrate the accuracy of the proposed approximation scheme and the efficiency of the proposed solver.
Numerical Hydrodynamics in General Relativity.
Font, José A
2000-01-01
The current status of numerical solutions for the equations of ideal general relativistic hydrodynamics is reviewed. Different formulations of the equations are presented, with special mention of conservative and hyperbolic formulations well-adapted to advanced numerical methods. A representative sample of available numerical schemes is discussed and particular emphasis is paid to solution procedures based on schemes exploiting the characteristic structure of the equations through linearized Riemann solvers. A comprehensive summary of relevant astrophysical simulations in strong gravitational fields, including gravitational collapse, accretion onto black holes and evolution of neutron stars, is also presented.
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials.
Boereboom, Jelle M; Potestio, Raffaello; Donadio, Davide; Bulo, Rosa E
2016-08-09
Adaptive quantum mechanical (QM)/molecular mechanical (MM) methods enable efficient molecular simulations of chemistry in solution. Reactive subregions are modeled with an accurate QM potential energy expression while the rest of the system is described in a more approximate manner (MM). As solvent molecules diffuse in and out of the reactive region, they are gradually included into (and excluded from) the QM expression. It would be desirable to model such a system with a single adaptive Hamiltonian, but thus far this has resulted in distorted structures at the boundary between the two regions. Solving this long outstanding problem will allow microcanonical adaptive QM/MM simulations that can be used to obtain vibrational spectra and dynamical properties. The difficulty lies in the complex QM potential energy expression, with a many-body expansion that contains higher order terms. Here, we outline a Hamiltonian adaptive multiscale scheme within the framework of many-body potentials. The adaptive expressions are entirely general, and complementary to all standard (nonadaptive) QM/MM embedding schemes available. We demonstrate the merit of our approach on a molecular system defined by two different MM potentials (MM/MM'). For the long-range interactions a numerical scheme is used (particle mesh Ewald), which yields energy expressions that are many-body in nature. Our Hamiltonian approach is the first to provide both energy conservation and the correct solvent structure everywhere in this system.
A well-balanced unified gas-kinetic scheme for multiscale flow transport under gravitational field
NASA Astrophysics Data System (ADS)
Xiao, Tianbai; Cai, Qingdong; Xu, Kun
2017-03-01
The gas dynamics under gravitational field is usually associated with multiple scale nature due to large density variation and a wide variation of local Knudsen number. It is challenging to construct a reliable numerical algorithm to accurately capture the non-equilibrium physical effect in different regimes. In this paper, a well-balanced unified gas-kinetic scheme (UGKS) for all flow regimes under gravitational field will be developed, which can be used for the study of non-equilibrium gravitational gas system. The well-balanced scheme here is defined as a method to evolve an isolated gravitational system under any initial condition to a hydrostatic equilibrium state and to keep such a solution. To preserve such a property is important for a numerical scheme, which can be used for the study of slowly evolving gravitational system, such as the formation of star and galaxy. Based on the Boltzmann model with external forcing term, the UGKS uses an analytic time-dependent (or scale-dependent) solution in the construction of the discretized fluid dynamic equations in the cell size and time step scales, i.e., the so-called direct modeling method. As a result, with the variation of the ratio between the numerical time step and local particle collision time, the UGKS is able to recover flow physics in different regimes and provides a continuous spectrum of gas dynamics. For the first time, the flow physics of a gravitational system in the transition regime can be studied using the UGKS, and the non-equilibrium phenomena in such a gravitational system can be clearly identified. Many numerical examples will be used to validate the scheme. New physical observation, such as the correlation between the gravitational field and the heat flux in the transition regime, will be presented. The current method provides an indispensable tool for the study of non-equilibrium gravitational system.
Numerical Simulations of Acoustically Driven, Burning Droplets
NASA Technical Reports Server (NTRS)
Kim, H.-C.; Karagozian, A. R.; Smith, O. I.; Urban, Dave (Technical Monitor)
1999-01-01
This computational study focuses on understanding and quantifying the effects of external acoustical perturbations on droplet combustion. A one-dimensional, axisymmetric representation of the essential diffusion and reaction processes occurring in the vicinity of the droplet stagnation point is used here in order to isolate the effects of the imposed acoustic disturbance. The simulation is performed using a third order accurate, essentially non-oscillatory (ENO) numerical scheme with a full methanol-air reaction mechanism. Consistent with recent microgravity and normal gravity combustion experiments, focus is placed on conditions where the droplet is situated at a velocity antinode in order for the droplet to experience the greatest effects of fluid mechanical straining of flame structures. The effects of imposed sound pressure level and frequency are explored here, and conditions leading to maximum burning rates are identified.
Advanced numerics for multi-dimensional fluid flow calculations
NASA Technical Reports Server (NTRS)
Vanka, S. P.
1984-01-01
In recent years, there has been a growing interest in the development and use of mathematical models for the simulation of fluid flow, heat transfer and combustion processes in engineering equipment. The equations representing the multi-dimensional transport of mass, momenta and species are numerically solved by finite-difference or finite-element techniques. However despite the multiude of differencing schemes and solution algorithms, and the advancement of computing power, the calculation of multi-dimensional flows, especially three-dimensional flows, remains a mammoth task. The following discussion is concerned with the author's recent work on the construction of accurate discretization schemes for the partial derivatives, and the efficient solution of the set of nonlinear algebraic equations resulting after discretization. The present work has been jointly supported by the Ramjet Engine Division of the Wright Patterson Air Force Base, Ohio, and the NASA Lewis Research Center.
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.
Advanced numerics for multi-dimensional fluid flow calculations
Vanka, S.P.
1984-04-01
In recent years, there has been a growing interest in the development and use of mathematical models for the simulation of fluid flow, heat transfer and combustion processes in engineering equipment. The equations representing the multi-dimensional transport of mass, momenta and species are numerically solved by finite-difference or finite-element techniques. However despite the multiude of differencing schemes and solution algorithms, and the advancement of computing power, the calculation of multi-dimensional flows, especially three-dimensional flows, remains a mammoth task. The following discussion is concerned with the author's recent work on the construction of accurate discretization schemes for the partial derivatives, and the efficient solution of the set of nonlinear algebraic equations resulting after discretization. The present work has been jointly supported by the Ramjet Engine Division of the Wright Patterson Air Force Base, Ohio, and the NASA Lewis Research Center.
Numerical methods for incompressible viscous flows with engineering applications
NASA Technical Reports Server (NTRS)
Rose, M. E.; Ash, R. L.
1988-01-01
A numerical scheme has been developed to solve the incompressible, 3-D Navier-Stokes equations using velocity-vorticity variables. This report summarizes the development of the numerical approximation schemes for the divergence and curl of the velocity vector fields and the development of compact schemes for handling boundary and initial boundary value problems.
Nonlinear wave propagation using three different finite difference schemes (category 2 application)
NASA Technical Reports Server (NTRS)
Pope, D. Stuart; Hardin, J. C.
1995-01-01
Three common finite difference schemes are used to examine the computation of one-dimensional nonlinear wave propagation. The schemes are studied for their responses to numerical parameters such as time step selection, boundary condition implementation, and discretization of governing equations. The performance of the schemes is compared and various numerical phenomena peculiar to each is discussed.
NASA Astrophysics Data System (ADS)
Kazemi-Kamyab, V.; van Zuijlen, A. H.; Bijl, H.
2014-09-01
Thermal interaction of fluids and solids, or conjugate heat transfer (CHT), is encountered in many engineering applications. Since time-accurate computations of unsteady CHT can be computationally demanding, we consider the use of high order implicit time integration schemes which have the potential to be more efficient relative to the commonly used second order implicit schemes. We present a strongly-coupled solution algorithm where the high order L-stable explicit first-stage singly diagonally implicit Runge-Kutta (ESDIRK) schemes are used to advance the solution in time within each separate fluid and solid subdomains. Furthermore, the stability and rate of convergence of performing (Gauss-Seidel) subiterations at each stage of the ESDIRK schemes are analyzed. The results from solving a numerical example (an unsteady conjugate natural convection in an enclosure) show good agreement with the performed analytical stability analysis. In addition, the (computational) work-(temporal) precision character of several schemes in solving a strongly coupled CHT problem is compared over a range of accuracy requirements. From the efficiency investigation, it is observed that performing subiterations with the strongly-coupled ESDIRK algorithm is more efficient than lowering time-step size using a high order loosely-coupled IMEX algorithm. In addition, by using the ESDIRK schemes, gain in computational efficiency relative to Crank-Nicolson is observed for time-accurate solutions (a factor of 1.4 using the fourth order ESDIRK). The computational gain is higher for smaller tolerances.
NASA Astrophysics Data System (ADS)
Sørensen, B.; Kaas, E.; Korsholm, U. S.
2012-11-01
In this paper a new advection scheme for the online coupled chemical-weather prediction model Enviro-HIRLAM is presented. The new scheme is based on the locally mass conserving semi-Lagrangian method (LMCSL), where the original two-dimensional scheme has been extended to a fully three-dimensional version. This means that the three-dimensional semi-implicit semi-Lagrangian scheme which is currently used in Enviro-HIRLAM, is largely unchanged. The HIRLAM model is a computationally efficient hydrostatic operational short term numerical weather prediction model, which is used as the base for the online integrated Enviro-HIRLAM. The new scheme is shown to be efficient, mass conserving, and shape-preserving while only requiring minor alterations to the original code. It still retains the stability at long time steps, which the semi-Lagrangian schemes are known for, while handling the emissions of chemical species accurately. Several mass conserving filters have been tested to assess the optimal balance of accuracy vs. efficiency.
NASA Astrophysics Data System (ADS)
Sørensen, B.; Kaas, E.; Korsholm, U. S.
2013-07-01
In this paper a new advection scheme for the online coupled chemical-weather prediction model Enviro-HIRLAM is presented. The new scheme is based on the locally mass-conserving semi-Lagrangian method (LMCSL), where the original two-dimensional scheme has been extended to a fully three-dimensional version. This means that the three-dimensional semi-implicit semi-Lagrangian scheme which is currently used in Enviro-HIRLAM is largely unchanged. The HIRLAM model is a computationally efficient hydrostatic operational short-term numerical weather prediction model, which is used as the base for the online integrated Enviro-HIRLAM. The new scheme is shown to be efficient, mass conserving, and shape preserving, while only requiring minor alterations to the original code. It still retains the stability at long time steps, which the semi-Lagrangian schemes are known for, while handling the emissions of chemical species accurately. Several mass-conserving filters have been tested to assess the optimal balance of accuracy vs. efficiency.
Parallelization of implicit finite difference schemes in computational fluid dynamics
NASA Technical Reports Server (NTRS)
Decker, Naomi H.; Naik, Vijay K.; Nicoules, Michel
1990-01-01
Implicit finite difference schemes are often the preferred numerical schemes in computational fluid dynamics, requiring less stringent stability bounds than the explicit schemes. Each iteration in an implicit scheme involves global data dependencies in the form of second and higher order recurrences. Efficient parallel implementations of such iterative methods are considerably more difficult and non-intuitive. The parallelization of the implicit schemes that are used for solving the Euler and the thin layer Navier-Stokes equations and that require inversions of large linear systems in the form of block tri-diagonal and/or block penta-diagonal matrices is discussed. Three-dimensional cases are emphasized and schemes that minimize the total execution time are presented. Partitioning and scheduling schemes for alleviating the effects of the global data dependencies are described. An analysis of the communication and the computation aspects of these methods is presented. The effect of the boundary conditions on the parallel schemes is also discussed.
Numerically pricing American options under the generalized mixed fractional Brownian motion model
NASA Astrophysics Data System (ADS)
Chen, Wenting; Yan, Bowen; Lian, Guanghua; Zhang, Ying
2016-06-01
In this paper, we introduce a robust numerical method, based on the upwind scheme, for the pricing of American puts under the generalized mixed fractional Brownian motion (GMFBM) model. By using portfolio analysis and applying the Wick-Itô formula, a partial differential equation (PDE) governing the prices of vanilla options under the GMFBM is successfully derived for the first time. Based on this, we formulate the pricing of American puts under the current model as a linear complementarity problem (LCP). Unlike the classical Black-Scholes (B-S) model or the generalized B-S model discussed in Cen and Le (2011), the newly obtained LCP under the GMFBM model is difficult to be solved accurately because of the numerical instability which results from the degeneration of the governing PDE as time approaches zero. To overcome this difficulty, a numerical approach based on the upwind scheme is adopted. It is shown that the coefficient matrix of the current method is an M-matrix, which ensures its stability in the maximum-norm sense. Remarkably, we have managed to provide a sharp theoretic error estimate for the current method, which is further verified numerically. The results of various numerical experiments also suggest that this new approach is quite accurate, and can be easily extended to price other types of financial derivatives with an American-style exercise feature under the GMFBM model.
Hybrid undulator numerical optimization
Hairetdinov, A.H.; Zukov, A.A.
1995-12-31
3D properties of the hybrid undulator scheme arc studied numerically using PANDIRA code. It is shown that there exist two well defined sets of undulator parameters which provide either maximum on-axis field amplitude or minimal higher harmonics amplitude of the basic undulator field. Thus the alternative between higher field amplitude or pure sinusoidal field exists. The behavior of the undulator field amplitude and harmonics structure for a large set of (undulator gap)/(undulator wavelength) values is demonstrated.
A time-accurate finite volume method valid at all flow velocities
NASA Astrophysics Data System (ADS)
Kim, S.-W.
1993-07-01
A finite volume method to solve the Navier-Stokes equations at all flow velocities (e.g., incompressible, subsonic, transonic, supersonic and hypersonic flows) is presented. The numerical method is based on a finite volume method that incorporates a pressure-staggered mesh and an incremental pressure equation for the conservation of mass. Comparison of three generally accepted time-advancing schemes, i.e., Simplified Marker-and-Cell (SMAC), Pressure-Implicit-Splitting of Operators (PISO), and Iterative-Time-Advancing (ITA) scheme, are made by solving a lid-driven polar cavity flow and self-sustained oscillatory flows over circular and square cylinders. Calculated results show that the ITA is the most stable numerically and yields the most accurate results. The SMAC is the most efficient computationally and is as stable as the ITA. It is shown that the PISO is the most weakly convergent and it exhibits an undesirable strong dependence on the time-step size. The degenerated numerical results obtained using the PISO are attributed to its second corrector step that cause the numerical results to deviate further from a divergence free velocity field. The accurate numerical results obtained using the ITA is attributed to its capability to resolve the nonlinearity of the Navier-Stokes equations. The present numerical method that incorporates the ITA is used to solve an unsteady transitional flow over an oscillating airfoil and a chemically reacting flow of hydrogen in a vitiated supersonic airstream. The turbulence fields in these flow cases are described using multiple-time-scale turbulence equations. For the unsteady transitional over an oscillating airfoil, the fluid flow is described using ensemble-averaged Navier-Stokes equations defined on the Lagrangian-Eulerian coordinates. It is shown that the numerical method successfully predicts the large dynamic stall vortex (DSV) and the trailing edge vortex (TEV) that are periodically generated by the oscillating airfoil
NASA Technical Reports Server (NTRS)
Yungster, Shaye; Radhakrishnan, Krishnan
1994-01-01
A new fully implicit, time accurate algorithm suitable for chemically reacting, viscous flows in the transonic-to-hypersonic regime is described. The method is based on a class of Total Variation Diminishing (TVD) schemes and uses successive Gauss-Siedel relaxation sweeps. The inversion of large matrices is avoided by partitioning the system into reacting and nonreacting parts, but still maintaining a fully coupled interaction. As a result, the matrices that have to be inverted are of the same size as those obtained with the commonly used point implicit methods. In this paper we illustrate the applicability of the new algorithm to hypervelocity unsteady combustion applications. We present a series of numerical simulations of the periodic combustion instabilities observed in ballistic-range experiments of blunt projectiles flying at subdetonative speeds through hydrogen-air mixtures. The computed frequencies of oscillation are in excellent agreement with experimental data.
Upwind and symmetric shock-capturing schemes
NASA Technical Reports Server (NTRS)
Yee, H. C.
1987-01-01
The development of numerical methods for hyperbolic conservation laws has been a rapidly growing area for the last ten years. Many of the fundamental concepts and state-of-the-art developments can only be found in meeting proceedings or internal reports. This review paper attempts to give an overview and a unified formulation of a class of shock-capturing methods. Special emphasis is on the construction of the basic nonlinear scalar second-order schemes and the methods of extending these nonlinear scalar schemes to nonlinear systems via the extact Riemann solver, approximate Riemann solvers, and flux-vector splitting approaches. Generalization of these methods to efficiently include real gases and large systems of nonequilibrium flows is discussed. The performance of some of these schemes is illustrated by numerical examples for one-, two- and three-dimensional gas dynamics problems.
NASA Astrophysics Data System (ADS)
Moreira, D. S.; Freitas, S. R.; Bonatti, J. P.; Mercado, L. M.; Rosário, N. M. É.; Longo, K. M.; Miller, J. B.; Gloor, M.; Gatti, L. V.
2013-01-01
This article presents the development of a new numerical system denominated JULES-CCATT-BRAMS, which resulted from the coupling of the JULES surface model to the CCATT-BRAMS atmospheric chemistry model. The performance of this system in relation to several meteorological variables (wind speed at 10 m, air temperature at 2 m, dew point temperature at 2 m, pressure reduced to mean sea level and 6 h accumulated precipitation) and the CO2 concentration above an extensive area of South America is also presented, focusing on the Amazon basin. The evaluations were conducted for two periods, the wet (March) and dry (September) seasons of 2010. The statistics used to perform the evaluation included bias (BIAS) and root mean squared error (RMSE). The errors were calculated in relation to observations at conventional stations in airports and automatic stations. In addition, CO2 concentrations in the first model level were compared with meteorological tower measurements and vertical CO2 profiles were compared with aircraft data. The results of this study show that the JULES model coupled to CCATT-BRAMS provided a significant gain in performance in the evaluated atmospheric fields relative to those simulated by the LEAF (version 3) surface model originally utilized by CCATT-BRAMS. Simulations of CO2 concentrations in Amazonia and a comparison with observations are also discussed and show that the system presents a gain in performance relative to previous studies. Finally, we discuss a wide range of numerical studies integrating coupled atmospheric, land surface and chemistry processes that could be produced with the system described here. Therefore, this work presents to the scientific community a free tool, with good performance in relation to the observed data and re-analyses, able to produce atmospheric simulations/forecasts at different resolutions, for any period of time and in any region of the globe.
Comparisons of TVD schemes applied to the Navier-Stokes equations. [total variation diminishing
NASA Technical Reports Server (NTRS)
Buelow, Philip E.
1989-01-01
In this study, the following total variation diminishing (TVD) schemes for solving the Navier-Stokes equations have been tested: the Chakravarthy and Szema (1985) upwind biased TVD scheme, the Harten's upwind TVD scheme described by Yee et al. (1983), and the Yee's (1985) symmetric TVD scheme. The schemes have been compared using three test cases. The first case was the one-dimensional shock tube problem which tested the shock-capturing abilities of the schemes. Chakravarthy's and Harten's schemes gave similar results which were found to be more accurate than the results from Yee's scheme. The second case was a compressible boundary layer which tested the schemes's abilities to solve fiscous flows. In this case, the three schemes yielded almost identical results. Finally, the shock/boundary-layer interaction case studied experimentally by Hakkinen et al. (1959) was computed. Here, Chakravarthy's and Yee's schemes compared most favorably with the published data, with Yee's scheme giving slightly better results.
NASA Astrophysics Data System (ADS)
Liu, Zhao-wei; Zhu, De-jun; Chen, Yong-can; Wang, Zhi-gang
2014-12-01
RIV1Q is the stand-alone water quality program of CE-QUAL-RIV1, a hydraulic and water quality model developed by U.S. Army Corps of Engineers Waterways Experiment Station. It utilizes an operator-splitting algorithm and the advection term in governing equation is treated using the explicit two-point, fourth-order accurate, Holly-Preissmann scheme, in order to preserve numerical accuracy for advection of sharp gradients in concentration. In the scheme, the spatial derivative of the transport equation, where the derivative of velocity is included, is introduced to update the first derivative of dependent variable. In the stream with larger cross-sectional variation, steep velocity gradient can be easily found and should be estimated correctly. In the original version of RIV1Q, however, the derivative of velocity is approximated by a finite difference which is first-order accurate. Its leading truncation error leads to the numerical error of concentration which is related with the velocity and concentration gradients and increases with the decreasing Courant number. The simulation may also be unstable when a sharp velocity drop occurs. In the present paper, the derivative of velocity is estimated with a modified second-order accurate scheme and the corresponding numerical error of concentration decreases. Additionally, the stability of the simulation is improved. The modified scheme is verified with a hypothetical channel case and the results demonstrate that satisfactory accuracy and stability can be achieved even when the Courant number is very low. Finally, the applicability of the modified scheme is discussed.
Numerical modeling of enclosure convection
NASA Technical Reports Server (NTRS)
Duh, J. C.
1989-01-01
A numerical study on the steady and unsteady natural convection in two-dimensional rectangular enclosures has been performed by a time-accurate ADI finite difference scheme. The study covered a range of Rayleigh numbers between 1000 and 10 to the 7th, aspect ratios between 0.2 and 10.0, and tilt angles between -90 (heating from bottom) and +90 deg (heating from top). Various Prandtl numbers have been studied, but only the results of water (Pr = 7.0) are reported here due to space limitations. The physics revealed, however, includes the convection phenomena and the Rayleigh-Benard stability, as well as the combined mechanism of these two. The onset of secondary cells is determined by using a velocity map, which is simpler and cleaner, instead of a streamline plot. The critical Ra number for the occurrence of these secondary cells is shown to be lower than can be detected by experimental studies. On the Rayleigh-Benard stability part, a second transition from stable single-cell convection to periodic multicellular convection is disclosed.
PRICE: primitive centred schemes for hyperbolic systems
NASA Astrophysics Data System (ADS)
Toro, E. F.; Siviglia, A.
2003-08-01
We present first- and higher-order non-oscillatory primitive (PRI) centred (CE) numerical schemes for solving systems of hyperbolic partial differential equations written in primitive (or non-conservative) form. Non-conservative systems arise in a variety of fields of application and they are adopted in that form for numerical convenience, or more importantly, because they do not posses a known conservative form; in the latter case there is no option but to apply non-conservative methods. In addition we have chosen a centred, as distinct from upwind, philosophy. This is because the systems we are ultimately interested in (e.g. mud flows, multiphase flows) are exceedingly complicated and the eigenstructure is difficult, or very costly or simply impossible to obtain. We derive six new basic schemes and then we study two ways of extending the most successful of these to produce second-order non-oscillatory methods. We have used the MUSCL-Hancock and the ADER approaches. In the ADER approach we have used two ways of dealing with linear reconstructions so as to avoid spurious oscillations: the ADER TVD scheme and ADER with ENO reconstruction. Extensive numerical experiments suggest that all the schemes are very satisfactory, with the ADER/ENO scheme being perhaps the most promising, first for dealing with source terms and secondly, because higher-order extensions (greater than two) are possible. Work currently in progress includes the application of some of these ideas to solve the mud flow equations. The schemes presented are generic and can be applied to any hyperbolic system in non-conservative form and for which solutions include smooth parts, contact discontinuities and weak shocks. The advantage of the schemes presented over upwind-based methods is simplicity and efficiency, and will be fully realized for hyperbolic systems in which the provision of upwind information is very costly or is not available.
Fourth-order 2N-storage Runge-Kutta schemes
NASA Technical Reports Server (NTRS)
Carpenter, Mark H.; Kennedy, Christopher A.
1994-01-01
A family of five-stage fourth-order Runge-Kutta schemes is derived; these schemes required only two storage locations. A particular scheme is identified that has desirable efficiency characteristics for hyperbolic and parabolic initial (boundary) value problems. This scheme is competitive with the classical fourth-order method (high-storage) and is considerably more efficient and accurate than existing third-order low-storage schemes.
A new class of accurate, mesh-free hydrodynamic simulation methods
NASA Astrophysics Data System (ADS)
Hopkins, Philip F.
2015-06-01
We present two new Lagrangian methods for hydrodynamics, in a systematic comparison with moving-mesh, smoothed particle hydrodynamics (SPH), and stationary (non-moving) grid methods. The new methods are designed to simultaneously capture advantages of both SPH and grid-based/adaptive mesh refinement (AMR) schemes. They are based on a kernel discretization of the volume coupled to a high-order matrix gradient estimator and a Riemann solver acting over the volume `overlap'. We implement and test a parallel, second-order version of the method with self-gravity and cosmological integration, in the code GIZMO:1 this maintains exact mass, energy and momentum conservation; exhibits superior angular momentum conservation compared to all other methods we study; does not require `artificial diffusion' terms; and allows the fluid elements to move with the flow, so resolution is automatically adaptive. We consider a large suite of test problems, and find that on all problems the new methods appear competitive with moving-mesh schemes, with some advantages (particularly in angular momentum conservation), at the cost of enhanced noise. The new methods have many advantages versus SPH: proper convergence, good capturing of fluid-mixing instabilities, dramatically reduced `particle noise' and numerical viscosity, more accurate sub-sonic flow evolution, and sharp shock-capturing. Advantages versus non-moving meshes include: automatic adaptivity, dramatically reduced advection errors and numerical overmixing, velocity-independent errors, accurate coupling to gravity, good angular momentum conservation and elimination of `grid alignment' effects. We can, for example, follow hundreds of orbits of gaseous discs, while AMR and SPH methods break down in a few orbits. However, fixed meshes minimize `grid noise'. These differences are important for a range of astrophysical problems.
Numerical prediction of airplane trailing vortices
NASA Astrophysics Data System (ADS)
Czech, M. J.; Crouch, J. D.; Miller, G. D.; Strelets, M.
2004-11-01
The accurate prediction of airplane trailing vortices is of great interest for both cruise conditions in conjunction with the formation of contrails as well as approach conditions for reasons of flight safety and active vortex control. A numerical approach is introduced based on a quasi-3D Reynolds-Averaged Navier-Stokes formulation with a one-equation turbulence model. The numerical results show good agreement with wind-tunnel data out to ten spans for a range of wing and tail loadings typical of commercial airplanes in a landing configuration. The results show a one-, two- and three-pair system in the near-field with only minor changes to the initial lift distribution. The CFD correctly predicts the strength, demise and position of the individual vortex pairs over a range of test cases. The approach is further extended by considering thrust effects. For cruise conditions, far field predictions show the entrainment of the jet plume into the wake and provide the potential for coupling with a micro-physics model to predict the formation and early evolution of contrails. Potential influences of configuration details on the plume entrainment are considered. This numerical method also offers an attractive approach for assessing active schemes designed to accelerate the break-up of airplane trailing vortices.
Numerical flow analysis for axial flow turbine
NASA Astrophysics Data System (ADS)
Sato, T.; Aoki, S.
Some numerical flow analysis methods adopted in the gas turbine interactive design system, TDSYS, are described. In the TDSYS, a streamline curvature program for axisymmetric flows, quasi 3-D and fully 3-D time marching programs are used respectively for blade to blade flows and annular cascade flows. The streamline curvature method has some advantages in that it can include the effect of coolant mixing and choking flow conditions. Comparison of the experimental results with calculated results shows that the overall accuracy is determined more by the empirical correlations used for loss and deviation than by the numerical scheme. The time marching methods are the best choice for the analysis of turbine cascade flows because they can handle mixed subsonic-supersonic flows with automatic inclusion of shock waves in a single calculation. Some experimental results show that a time marching method can predict the airfoil surface Mach number distribution more accurately than a finite difference method. One weakpoint of the time marching methods is a long computer time; they usually require several times as much CPU time as other methods. But reductions in computer costs and improvements in numerical methods have made the quasi 3-D and fully 3-D time marching methods usable as design tools, and they are now used in TDSYS.
Direct Numerical Simulation of a Coolant Jet in a Periodic Crossflow
NASA Technical Reports Server (NTRS)
Sharma, Chirdeep; Acharya, Sumanta
1998-01-01
A Direct Numerical Simulation of a coolant jet injected normally into a periodic crossflow is presented. The physical situation simulated represents a periodic module in a coolant hole array with a heated crossflow. A collocated finite difference scheme is used which is fifth-order accurate spatially and second-order accurate temporally. The scheme is based on a fractional step approach and requires the solution of a pressure-Poisson equation. The simulations are obtained for a blowing ratio of 0.25 and a channel Reynolds number of 5600. The simulations reveal the dynamics of several large scale structures including the Counter-rotating Vortex Pair (CVP), the horse-shoe vortex, the shear layer vortex, the wall vortex and the wake vortex. The origins and the interactions of these vortical structures are identified and explored. Also presented are the turbulence statistics and how they relate to the flow structures.
NASA Astrophysics Data System (ADS)
Chalons, Christophe; Girardin, Mathieu; Kokh, Samuel
2017-04-01
We propose an all regime Lagrange-Projection like numerical scheme for 2D homogeneous models for two-phase flows. By all regime, we mean that the numerical scheme is able to compute accurate approximate solutions with an under-resolved discretization, i.e. a mesh size and time step much bigger than the Mach number M of the mixture. The key idea is to decouple acoustic, transport and phase transition phenomenon using a Lagrange-Projection decomposition in order to treat implicitly (fast) acoustic and phase transition phenomenon and explicitly the (slow) transport phenomena. Then, extending a strategy developed in the case of the usual gas dynamics equations, we alter the numerical flux in the acoustic approximation to obtain a uniform truncation error in terms of M. This modified scheme is conservative and endowed with good stability properties with respect to the positivity of the density and preserving the mass fraction within the interval (0 , 1). Numerical evidences are proposed and show the ability of the scheme to deal with cases where the flow regime may vary from low to high Mach values.
Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes.
Kysilka, Jiří; Rubeš, Miroslav; Grajciar, Lukáš; Nachtigall, Petr; Bludský, Ota
2011-10-20
Accurate interaction energies of nonpolar (argon) and polar (water) adsorbates with graphene-based carbon allotropes were calculated by means of a combined density functional theory (DFT)-ab initio computational scheme. The calculated interaction energy of argon with graphite (-9.7 kJ mol(-1)) is in excellent agreement with the available experimental data. The calculated interaction energy of water with graphene and graphite is -12.8 and -14.6 kJ mol(-1), respectively. The accuracy of combined DFT-ab initio methods is discussed in detail based on a comparison with the highly precise interaction energies of argon and water with coronene obtained at the coupled-cluster CCSD(T) level extrapolated to the complete basis set (CBS) limit. A new strategy for a reliable estimate of the CBS limit is proposed for systems where numerical instabilities occur owing to basis-set near-linear dependence. The most accurate estimate of the argon and water interaction with coronene (-8.1 and -14.0 kJ mol(-1), respectively) is compared with the results of other methods used for the accurate description of weak intermolecular interactions.
NASA Astrophysics Data System (ADS)
Park, J.-R.; Cheong, H.-. B.; Kang, H.-. G.
2012-04-01
The spectral filter for spherical limited-area domain was applied to time integration procedure of regional model as a numerical scheme to remove small scale noises, which cannot be properly resolved in numerical models. This filter is designed to provide the sharp filter response, selective scale decomposition, and the isotropy on the limited-area domain by using the filter equation with high-order spherical Laplacian operator. The high-order filter equation is solved by low-order elliptic equations with the first or the second spherical Laplacian operator. It is controlled by the order of the spherical Laplacian operator and wave cutoff scale parameter. For the application to the regional weather forecast model, the filter is reconstructed into the regional map projection, e.g., Mercator map projection. The weather research and forecasting (WRF) model is used and the spectral filter works on the vertical velocity field in which the unresolved kinematic features appear prominently. The filter parameters are set to damp the amplitude of wave component with wavelength of two times the grid interval by half in every time step. The effect of the filter on the removal of small-scale waves was evaluated through the tropical cyclone (TC) track and intensity prediction. For the accurate prediction of typhoon, the TC initialization scheme, named the structure adjustable balanced vortex (SABV) scheme, is used for all test cases. In comparison with the simulated result using the diffusion scheme provided in the model for the same purpose, the model performance was improved, especially in track prediction. The 1-day accumulated precipitation of the test simulation using the spectral filter exhibits the most similar pattern to the observation. The spectra analysis of vertical velocity field showed that the spectral filtering scheme restrains the undesirable small upturned spectral energy usually produced in limited-area models.
Direct simulations of turbulent flow using finite-difference schemes
NASA Technical Reports Server (NTRS)
Rai, Man Mohan; Moin, Parviz
1989-01-01
A high-order accurate finite-difference approach is presented for calculating incompressible turbulent flow. The methods used include a kinetic energy conserving central difference scheme and an upwind difference scheme. The methods are evaluated in test cases for the evolution of small-amplitude disturbances and fully developed turbulent channel flow. It is suggested that the finite-difference approach can be applied to complex geometries more easilty than highly accurate spectral methods. It is concluded that the upwind scheme is a good candidate for direct simulations of turbulent flows over complex geometries.
Accuracy of schemes with nonuniform meshes for compressible fluid flows
NASA Technical Reports Server (NTRS)
Turkel, E.
1985-01-01
The accuracy of the space discretization for time-dependent problems when a nonuniform mesh is used is considered. Many schemes reduce to first-order accuracy while a popular finite volume scheme is even inconsistent for general grids. This accuracy is based on physical variables. However, when accuracy is measured in computational variables then second-order accuracy can be obtained. This is meaningful only if the mesh accurately reflects the properties of the solution. In addition, the stability properties of some improved accurate schemes are analyzed and it can be shown that they also allow for larger time steps when Runge-Kutta type methods are used to advance in time.
Numerical simulation of conservation laws
NASA Technical Reports Server (NTRS)
Chang, Sin-Chung; To, Wai-Ming
1992-01-01
A new numerical framework for solving conservation laws is being developed. This new approach differs substantially from the well established methods, i.e., finite difference, finite volume, finite element and spectral methods, in both concept and methodology. The key features of the current scheme include: (1) direct discretization of the integral forms of conservation laws, (2) treating space and time on the same footing, (3) flux conservation in space and time, and (4) unified treatment of the convection and diffusion fluxes. The model equation considered in the initial study is the standard one dimensional unsteady constant-coefficient convection-diffusion equation. In a stability study, it is shown that the principal and spurious amplification factors of the current scheme, respectively, are structurally similar to those of the leapfrog/DuFort-Frankel scheme. As a result, the current scheme has no numerical diffusion in the special case of pure convection and is unconditionally stable in the special case of pure diffusion. Assuming smooth initial data, it will be shown theoretically and numerically that, by using an easily determined optimal time step, the accuracy of the current scheme may reach a level which is several orders of magnitude higher than that of the MacCormack scheme, with virtually identical operation count.
Boundary Variation Diminishing (BVD) reconstruction: A new approach to improve Godunov schemes
NASA Astrophysics Data System (ADS)
Sun, Ziyao; Inaba, Satoshi; Xiao, Feng
2016-10-01
This paper presents a new approach, so-called boundary variation diminishing (BVD), for reconstructions that minimize the discontinuities (jumps) at cell interfaces in Godunov type schemes. It is motivated by the observation that diminishing the jump at the cell boundary can effectively reduce the dissipation in numerical flux. Differently from the existing practices which seek high-order polynomials within mesh cells while assuming discontinuities being always at the cell interfaces, the BVD strategy presented in this paper switches between a high-order polynomial and a jump-like reconstruction that allows a discontinuity being partly represented within the mesh cell rather than at the interface. Excellent numerical results have been obtained for both scalar and Euler conservation laws with substantially improved solution quality in comparison with the existing methods. It is shown that new schemes of high fidelity for both continuous and discontinuous solutions can be devised by the BVD guideline with properly-chosen candidate reconstruction schemes. This work provides a simple and accurate alternative of great practical significance to the current high-order Godunov paradigm which overly pursues the smoothness within mesh cells under the questionable premiss that discontinuities only appear at cell interfaces.
High Order Finite Volume Nonlinear Schemes for the Boltzmann Transport Equation
Bihari, B L; Brown, P N
2005-03-29
The authors apply the nonlinear WENO (Weighted Essentially Nonoscillatory) scheme to the spatial discretization of the Boltzmann Transport Equation modeling linear particle transport. The method is a finite volume scheme which ensures not only conservation, but also provides for a more natural handling of boundary conditions, material properties and source terms, as well as an easier parallel implementation and post processing. It is nonlinear in the sense that the stencil depends on the solution at each time step or iteration level. By biasing the gradient calculation towards the stencil with smaller derivatives, the scheme eliminates the Gibb's phenomenon with oscillations of size O(1) and reduces them to O(h{sup r}), where h is the mesh size and r is the order of accuracy. The current implementation is three-dimensional, generalized for unequally spaced meshes, fully parallelized, and up to fifth order accurate (WENO5) in space. For unsteady problems, the resulting nonlinear spatial discretization yields a set of ODE's in time, which in turn is solved via high order implicit time-stepping with error control. For the steady-state case, they need to solve the non-linear system, typically by Newton-Krylov iterations. There are several numerical examples presented to demonstrate the accuracy, non-oscillatory nature and efficiency of these high order methods, in comparison with other fixed-stencil schemes.
Application of Central Upwind Scheme for Solving Special Relativistic Hydrodynamic Equations
Yousaf, Muhammad; Ghaffar, Tayabia; Qamar, Shamsul
2015-01-01
The accurate modeling of various features in high energy astrophysical scenarios requires the solution of the Einstein equations together with those of special relativistic hydrodynamics (SRHD). Such models are more complicated than the non-relativistic ones due to the nonlinear relations between the conserved and state variables. A high-resolution shock-capturing central upwind scheme is implemented to solve the given set of equations. The proposed technique uses the precise information of local propagation speeds to avoid the excessive numerical diffusion. The second order accuracy of the scheme is obtained with the use of MUSCL-type initial reconstruction and Runge-Kutta time stepping method. After a discussion of the equations solved and of the techniques employed, a series of one and two-dimensional test problems are carried out. To validate the method and assess its accuracy, the staggered central and the kinetic flux-vector splitting schemes are also applied to the same model. The scheme is robust and efficient. Its results are comparable to those obtained from the sophisticated algorithms, even in the case of highly relativistic two-dimensional test problems. PMID:26070067
On consistent boundary closures for compact finite-difference WENO schemes
NASA Astrophysics Data System (ADS)
Brehm, C.
2017-04-01
The accuracy of compact finite-difference schemes can be degraded by inconsistent domain or box boundary treatments. A consistent higher-order boundary closure is especially important for block-structured Cartesian AMR solvers, where the computational domain is generally decomposed into a large number of boxes containing a relatively small number of grid points. At each box boundary, a consistent higher-order boundary closure needs to be applied to avoid a reduction of the formal order-of-accuracy of the numerical scheme. This paper presents such a boundary closure for the fifth-order accurate compact finite-difference WENO scheme by Ghosh and Baeder [1]. The accuracy of the new boundary closure is validated by employing the method of manufactured solutions. A comparison of the new compact boundary closure with the original explicit boundary closure demonstrates the improved accuracy for the new compact boundary closure, while the behavior of the scheme across discontinuities appears unaffected. The linear stability analysis results indicate that a linearly stable compact WENO boundary closure is achieved.
A high-order time formulation of the RBC schemes for unsteady compressible Euler equations
NASA Astrophysics Data System (ADS)
Lerat, A.
2015-12-01
Residual-Based Compact (RBC) schemes can approximate the compressible Euler equations with a high space-accuracy on a very compact stencil. For instance on a 2-D Cartesian mesh, the 5th- and 7th-order accuracy can be reached on a 5 × 5-point stencil. The time integration of the RBC schemes uses a fully implicit method of 2nd-order accuracy (Gear method) usually solved by a dual-time approach. This method is efficient for computing compressible flows in slow unsteady regimes, but for quick unsteady flows, it may be costly and not accurate enough. A new time-formulation is proposed in the present paper. Unusually, in a RBC scheme the time derivative occurs, through linear discrete operators due to compactness, not only in the main residual but also in the other two residuals (in 2-D) involved in the numerical dissipation. To extract the time derivative, a space-factorization method which preserves the high accuracy in space is developed for reducing the algebra to the direct solution of simple linear systems on the mesh lines. Then a time-integration of high accuracy is selected for the RBC schemes by comparing the efficiency of four classes of explicit methods. The new time-formulation is validated for the diagonal advection of a Gaussian shape, the rotation of a hump, the advection of a vortex for a long time and the interaction of a vortex with a shock.
Application of Central Upwind Scheme for Solving Special Relativistic Hydrodynamic Equations.
Yousaf, Muhammad; Ghaffar, Tayabia; Qamar, Shamsul
2015-01-01
The accurate modeling of various features in high energy astrophysical scenarios requires the solution of the Einstein equations together with those of special relativistic hydrodynamics (SRHD). Such models are more complicated than the non-relativistic ones due to the nonlinear relations between the conserved and state variables. A high-resolution shock-capturing central upwind scheme is implemented to solve the given set of equations. The proposed technique uses the precise information of local propagation speeds to avoid the excessive numerical diffusion. The second order accuracy of the scheme is obtained with the use of MUSCL-type initial reconstruction and Runge-Kutta time stepping method. After a discussion of the equations solved and of the techniques employed, a series of one and two-dimensional test problems are carried out. To validate the method and assess its accuracy, the staggered central and the kinetic flux-vector splitting schemes are also applied to the same model. The scheme is robust and efficient. Its results are comparable to those obtained from the sophisticated algorithms, even in the case of highly relativistic two-dimensional test problems.
Twin Signature Schemes, Revisited
NASA Astrophysics Data System (ADS)
Schäge, Sven
In this paper, we revisit the twin signature scheme by Naccache, Pointcheval and Stern from CCS 2001 that is secure under the Strong RSA (SRSA) assumption and improve its efficiency in several ways. First, we present a new twin signature scheme that is based on the Strong Diffie-Hellman (SDH) assumption in bilinear groups and allows for very short signatures and key material. A big advantage of this scheme is that, in contrast to the original scheme, it does not require a computationally expensive function for mapping messages to primes. We prove this new scheme secure under adaptive chosen message attacks. Second, we present a modification that allows to significantly increase efficiency when signing long messages. This construction uses collision-resistant hash functions as its basis. As a result, our improvements make the signature length independent of the message size. Our construction deviates from the standard hash-and-sign approach in which the hash value of the message is signed in place of the message itself. We show that in the case of twin signatures, one can exploit the properties of the hash function as an integral part of the signature scheme. This improvement can be applied to both the SRSA based and SDH based twin signature scheme.
Tetrahedral-Mesh Simulation of Turbulent Flows with the Space-Time Conservative Schemes
NASA Technical Reports Server (NTRS)
Chang, Chau-Lyan; Venkatachari, Balaji; Cheng, Gary C.
2015-01-01
Direct numerical simulations of turbulent flows are predominantly carried out using structured, hexahedral meshes despite decades of development in unstructured mesh methods. Tetrahedral meshes offer ease of mesh generation around complex geometries and the potential of an orientation free grid that would provide un-biased small-scale dissipation and more accurate intermediate scale solutions. However, due to the lack of consistent multi-dimensional numerical formulations in conventional schemes for triangular and tetrahedral meshes at the cell interfaces, numerical issues exist when flow discontinuities or stagnation regions are present. The space-time conservative conservation element solution element (CESE) method - due to its Riemann-solver-free shock capturing capabilities, non-dissipative baseline schemes, and flux conservation in time as well as space - has the potential to more accurately simulate turbulent flows using unstructured tetrahedral meshes. To pave the way towards accurate simulation of shock/turbulent boundary-layer interaction, a series of wave and shock interaction benchmark problems that increase in complexity, are computed in this paper with triangular/tetrahedral meshes. Preliminary computations for the normal shock/turbulence interactions are carried out with a relatively coarse mesh, by direct numerical simulations standards, in order to assess other effects such as boundary conditions and the necessity of a buffer domain. The results indicate that qualitative agreement with previous studies can be obtained for flows where, strong shocks co-exist along with unsteady waves that display a broad range of scales, with a relatively compact computational domain and less stringent requirements for grid clustering near the shock. With the space-time conservation properties, stable solutions without any spurious wave reflections can be obtained without a need for buffer domains near the outflow/farfield boundaries. Computational results for the
NASA Astrophysics Data System (ADS)
Yapici, Kerim
2012-03-01
In this computational study, the convergence, stability and order of accuracy of several different numerical schemes are assessed and compared. All of the schemes considered were developed using a normalized variable diagram. Two test cases are considered: (1) two-dimensional steady incompressible laminar flow of a Newtonian fluid in a square lid-driven cavity; and (2) creeping flow of a PTT-linear fluid in a lid-driven square cavity. The governing equations are discretized to varying degrees of refinement using uniform grids, and solved by using the finite volume technique. The momentum interpolation method (MIM) is employed to evaluate the face velocity. Coupled mass and momentum conservation equations are solved through an iterative SIMPLE (Semi-Implicit Method for Pressure-Linked Equation) algorithm. Among the higher-order and bounded schemes considered in the present study, only the CLAM, COPLA, CUBISTA, NOTABLE, SMART and WACEB schemes provide a steady converged solution to the prescribed tolerance of 1×10-5 at all studied Weissenberg ( We) numbers, using a very fine mesh structure. It is found that the CLAM, COPLA, CUBISTA, SMART and WACEB schemes provide about the same order of accuracy that is slightly higher than that of the NOTABLE scheme at low and high Weissenberg numbers. Moreover, flow structures formed in the cavity, i.e. primary vortex, are captured accurately up to We = 5 by all converged schemes.
Convenient total variation diminishing conditions for nonlinear difference schemes
NASA Technical Reports Server (NTRS)
Tadmor, Eitan
1986-01-01
Convenient conditions for nonlinear difference schemes to be total-variation diminishing (TVD) are reviewed. It is shown that such schemes share the TVD property, provided their numerical fluxes meet a certain positivity condition at extrema values but can be arbitrary otherwise. The conditions are invariant under different incremental representations of the nonlinear schemes, and thus provide a simplified generalization of the TVD conditions due to Harten and others.
A discontinuous Galerkin conservative level set scheme for interface capturing in multiphase flows
NASA Astrophysics Data System (ADS)
Owkes, Mark; Desjardins, Olivier
2013-09-01
The accurate conservative level set (ACLS) method of Desjardins et al. [O. Desjardins, V. Moureau, H. Pitsch, An accurate conservative level set/ghost fluid method for simulating turbulent atomization, J. Comput. Phys. 227 (18) (2008) 8395-8416] is extended by using a discontinuous Galerkin (DG) discretization. DG allows for the scheme to have an arbitrarily high order of accuracy with the smallest possible computational stencil resulting in an accurate method with good parallel scaling. This work includes a DG implementation of the level set transport equation, which moves the level set with the flow field velocity, and a DG implementation of the reinitialization equation, which is used to maintain the shape of the level set profile to promote good mass conservation. A near second order converging interface curvature is obtained by following a height function methodology (common amongst volume of fluid schemes) in the context of the conservative level set. Various numerical experiments are conducted to test the properties of the method and show excellent results, even on coarse meshes. The tests include Zalesak’s disk, two-dimensional deformation of a circle, time evolution of a standing wave, and a study of the Kelvin-Helmholtz instability. Finally, this novel methodology is employed to simulate the break-up of a turbulent liquid jet.
A discontinuous Galerkin conservative level set scheme for interface capturing in multiphase flows
Owkes, Mark Desjardins, Olivier
2013-09-15
The accurate conservative level set (ACLS) method of Desjardins et al. [O. Desjardins, V. Moureau, H. Pitsch, An accurate conservative level set/ghost fluid method for simulating turbulent atomization, J. Comput. Phys. 227 (18) (2008) 8395–8416] is extended by using a discontinuous Galerkin (DG) discretization. DG allows for the scheme to have an arbitrarily high order of accuracy with the smallest possible computational stencil resulting in an accurate method with good parallel scaling. This work includes a DG implementation of the level set transport equation, which moves the level set with the flow field velocity, and a DG implementation of the reinitialization equation, which is used to maintain the shape of the level set profile to promote good mass conservation. A near second order converging interface curvature is obtained by following a height function methodology (common amongst volume of fluid schemes) in the context of the conservative level set. Various numerical experiments are conducted to test the properties of the method and show excellent results, even on coarse meshes. The tests include Zalesak’s disk, two-dimensional deformation of a circle, time evolution of a standing wave, and a study of the Kelvin–Helmholtz instability. Finally, this novel methodology is employed to simulate the break-up of a turbulent liquid jet.
An efficient numerical technique for the solution of nonlinear singular boundary value problems
NASA Astrophysics Data System (ADS)
Singh, Randhir; Kumar, Jitendra
2014-04-01
In this work, a new technique based on Green's function and the Adomian decomposition method (ADM) for solving nonlinear singular boundary value problems (SBVPs) is proposed. The technique relies on constructing Green's function before establishing the recursive scheme for the solution components. In contrast to the existing recursive schemes based on the ADM, the proposed technique avoids solving a sequence of transcendental equations for the undetermined coefficients. It approximates the solution in the form of a series with easily computable components. Additionally, the convergence analysis and the error estimate of the proposed method are supplemented. The reliability and efficiency of the proposed method are demonstrated by several numerical examples. The numerical results reveal that the proposed method is very efficient and accurate.
FRESCO: flexible alignment with rectangle scoring schemes.
Dalca, A V; Brudno, M
2008-01-01
While the popular DNA sequence alignment tools incorporate powerful heuristics to allow for fast and accurate alignment of DNA, most of them still optimize the classical Needleman Wunsch scoring scheme. The development of novel scoring schemes is often hampered by the difficulty of finding an optimizing algorithm for each non-trivial scheme. In this paper we define the broad class of rectangle scoring schemes, and describe an algorithm and tool that can align two sequences with an arbitrary rectangle scoring scheme in polynomial time. Rectangle scoring schemes encompass some of the popular alignment scoring metrics currently in use, as well as many other functions. We investigate a novel scoring function based on minimizing the expected number of random diagonals observed with the given scores and show that it rivals the LAGAN and Clustal-W aligners, without using any biological or evolutionary parameters. The FRESCO program, freely available at http://compbio.cs.toronto.edu/fresco, gives bioinformatics researchers the ability to quickly compare the performance of other complex scoring formulas without having to implement new algorithms to optimize them.
Stable Difference Schemes for the Neutron Transport Equation
NASA Astrophysics Data System (ADS)
Ashyralyev, Allaberen; Taskin, Abdulgafur
2011-09-01
The initial boundary value problem for the neutron transport equation is considered. The first and second orders of accuracy difference schemes for the approximate solution of this problem are presented. In applications, the stability estimates for solutions of difference schemes for the approximate solution of the neutron transport equation are obtained. Numerical techniques are developed and algorithms are tested on an example in MATLAB.
On the novel chaotic secure communication scheme design
NASA Astrophysics Data System (ADS)
Wang, B.; Zhong, S. M.; Dong, X. C.
2016-10-01
In this paper, the problem on the chaotic secure communication is discussed. First a new dual channel transmission mechanism is presented and used in secure communication scheme design, then the channel-switching techniques are adopted to further improve the security of information transmission. Finally some typical numerical simulations are carried out to demonstrate the effectiveness of the proposed secure communication scheme.
On the dynamics of some grid adaption schemes
NASA Technical Reports Server (NTRS)
Sweby, Peter K.; Yee, Helen C.
1994-01-01
The dynamics of a one-parameter family of mesh equidistribution schemes coupled with finite difference discretisations of linear and nonlinear convection-diffusion model equations is studied numerically. It is shown that, when time marched to steady state, the grid adaption not only influences the stability and convergence rate of the overall scheme, but can also introduce spurious dynamics to the numerical solution procedure.
Willcock, J J; Lumsdaine, A; Quinlan, D J
2008-08-19
Tabled execution is a generalization of memorization developed by the logic programming community. It not only saves results from tabled predicates, but also stores the set of currently active calls to them; tabled execution can thus provide meaningful semantics for programs that seemingly contain infinite recursions with the same arguments. In logic programming, tabled execution is used for many purposes, both for improving the efficiency of programs, and making tasks simpler and more direct to express than with normal logic programs. However, tabled execution is only infrequently applied in mainstream functional languages such as Scheme. We demonstrate an elegant implementation of tabled execution in Scheme, using a mix of continuation-passing style and mutable data. We also show the use of tabled execution in Scheme for a problem in formal language and automata theory, demonstrating that tabled execution can be a valuable tool for Scheme users.
NASA Technical Reports Server (NTRS)
Wang, Xiao-Yen; Chow, Chuen-Yen; Chang, Sin-Chung
1998-01-01
Without resorting to special treatment for each individual test case, the 1D and 2D CE/SE shock-capturing schemes described previously (in Part I) are used to simulate flows involving phenomena such as shock waves, contact discontinuities, expansion waves and their interactions. Five 1D and six 2D problems are considered to examine the capability and robustness of these schemes. Despite their simple logical structures and low computational cost (for the 2D CE/SE shock-capturing scheme, the CPU time is about 2 micro-secs per mesh point per marching step on a Cray C90 machine), the numerical results, when compared with experimental data, exact solutions or numerical solutions by other methods, indicate that these schemes can accurately resolve shock and contact discontinuities consistently.
Advanced numerical methods for three dimensional two-phase flow calculations
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.
The Linear Bicharacteristic Scheme for Electromagnetics
NASA Technical Reports Server (NTRS)
Beggs, John H.
2001-01-01
The upwind leapfrog or Linear Bicharacteristic Scheme (LBS) has previously been implemented and demonstrated on electromagnetic wave propagation problems. This paper extends the Linear Bicharacteristic Scheme for computational electromagnetics to model lossy dielectric and magnetic materials and perfect electrical conductors. This is accomplished by proper implementation of the LBS for homogeneous lossy dielectric and magnetic media and for perfect electrical conductors. Heterogeneous media are modeled through implementation of surface boundary conditions and no special extrapolations or interpolations at dielectric material boundaries are required. Results are presented for one-dimensional model problems on both uniform and nonuniform grids, and the FDTD algorithm is chosen as a convenient reference algorithm for comparison. The results demonstrate that the explicit LBS is a dissipation-free, second-order accurate algorithm which uses a smaller stencil than the FDTD algorithm, yet it has approximately one-third the phase velocity error. The LBS is also more accurate on nonuniform grids.
Kahan, W.; Li, Ren-Chang
1997-07-01
An unconventional numerical method for solving a restrictive and yet often-encountered class of ordinary differential equations is proposed. The method has a crucial, what we call reflexive, property and requires solving one linear system per time-step, but is second-order accurate. A systematical and easily implementable scheme is proposed to enhance the computational efficiency of such methods whenever needed. Applications are reported on how the idea can be applied to solve the Korteweg-de Vries Equation discretized in space.
NASA Astrophysics Data System (ADS)
Kafri, H. Q.; Khuri, S. A.; Sayfy, Ali
2016-12-01
This article introduces a new numerical approach to solve the equation that models a rectangular purely convecting fin with temperature-dependent thermal conductivity. The algorithm embeds an integral operator, defined in terms of Green's function, into Krasnoselskii-Mann's fixed point iteration scheme. The validity of the method is demonstrated by a number of examples that consist of a range of values of the parameters that appear in the model. In addition, the evaluation of the fin efficiency is presented. The residual error computations show that the current method provides highly accurate approximations.
NASA Astrophysics Data System (ADS)
Lerat, A.
2016-10-01
Residual-Based Compact (RBC) schemes approximate the 3-D compressible Euler equations with a 5th- or 7th-order accuracy on a 5 × 5 × 5-point stencil and capture shocks pretty well without correction. For unsteady flows however, they require a costly algebra to extract the time-derivative occurring at several places in the scheme. A new high-order time formulation has been recently proposed [13] for simplifying the RBC schemes and increasing their temporal accuracy. The present paper goes much further in this direction and deeply reconsiders the method. An avatar of the RBC schemes is presented that greatly reduces the computing time and the memory requirements while keeping the same type of successful numerical dissipation. Two and three-dimensional linear stability are analyzed and the method is extended to the 3-D compressible Navier-Stokes equations. The new compact scheme is validated for several unsteady problems in two and three dimension. In particular, an accurate DNS at moderate cost is presented for the evolution of the Taylor-Green Vortex at Reynolds 1600 and Prandtl 0.71. The effects of the mesh size and of the accuracy order in the approximation of Euler and viscous terms are discussed.
NASA Astrophysics Data System (ADS)
Sauer, Roger A.
2013-08-01
Recently an enriched contact finite element formulation has been developed that substantially increases the accuracy of contact computations while keeping the additional numerical effort at a minimum reported by Sauer (Int J Numer Meth Eng, 87: 593-616, 2011). Two enrich-ment strategies were proposed, one based on local p-refinement using Lagrange interpolation and one based on Hermite interpolation that produces C 1-smoothness on the contact surface. Both classes, which were initially considered for the frictionless Signorini problem, are extended here to friction and contact between deformable bodies. For this, a symmetric contact formulation is used that allows the unbiased treatment of both contact partners. This paper also proposes a post-processing scheme for contact quantities like the contact pressure. The scheme, which provides a more accurate representation than the raw data, is based on an averaging procedure that is inspired by mortar formulations. The properties of the enrichment strategies and the corresponding post-processing scheme are illustrated by several numerical examples considering sliding and peeling contact in the presence of large deformations.
An assessment of semi-discrete central schemes for hyperbolic conservation laws.
Christon, Mark Allen; Robinson, Allen Conrad; Ketcheson, David Isaac
2003-09-01
High-resolution finite volume methods for solving systems of conservation laws have been widely embraced in research areas ranging from astrophysics to geophysics and aero-thermodynamics. These methods are typically at least second-order accurate in space and time, deliver non-oscillatory solutions in the presence of near discontinuities, e.g., shocks, and introduce minimal dispersive and diffusive effects. High-resolution methods promise to provide greatly enhanced solution methods for Sandia's mainstream shock hydrodynamics and compressible flow applications, and they admit the possibility of a generalized framework for treating multi-physics problems such as the coupled hydrodynamics, electro-magnetics and radiative transport found in Z pinch physics. In this work, we describe initial efforts to develop a generalized 'black-box' conservation law framework based on modern high-resolution methods and implemented in an object-oriented software framework. The framework is based on the solution of systems of general non-linear hyperbolic conservation laws using Godunov-type central schemes. In our initial efforts, we have focused on central or central-upwind schemes that can be implemented with only a knowledge of the physical flux function and the minimal/maximal eigenvalues of the Jacobian of the flux functions, i.e., they do not rely on extensive Riemann decompositions. Initial experimentation with high-resolution central schemes suggests that contact discontinuities with the concomitant linearly degenerate eigenvalues of the flux Jacobian do not pose algorithmic difficulties. However, central schemes can produce significant smearing of contact discontinuities and excessive dissipation for rotational flows. Comparisons between 'black-box' central schemes and the piecewise parabolic method (PPM), which relies heavily on a Riemann decomposition, shows that roughly equivalent accuracy can be achieved for the same computational cost with both methods. However, PPM
Triangle based TVD schemes for hyperbolic conservation laws
NASA Technical Reports Server (NTRS)
Durlofsky, Louis J.; Osher, Stanley; Engquist, Bjorn
1990-01-01
A triangle based total variation diminishing (TVD) scheme for the numerical approximation of hyperbolic conservation laws in two space dimensions is constructed. The novelty of the scheme lies in the nature of the preprocessing of the cell averaged data, which is accomplished via a nearest neighbor linear interpolation followed by a slope limiting procedures. Two such limiting procedures are suggested. The resulting method is considerably more simple than other triangle based non-oscillatory approximations which, like this scheme, approximate the flux up to second order accuracy. Numerical results for linear advection and Burgers' equation are presented.
Stable and accurate difference methods for seismic wave propagation on locally refined meshes
NASA Astrophysics Data System (ADS)
Petersson, A.; Rodgers, A.; Nilsson, S.; Sjogreen, B.; McCandless, K.
2006-12-01
To overcome some of the shortcomings of previous numerical methods for the elastic wave equation subject to stress-free boundary conditions, we are incorporating recent results from numerical analysis to develop a new finite difference method which discretizes the governing equations in second order displacement formulation. The most challenging aspect of finite difference methods for time dependent hyperbolic problems is clearly stability and some previous methods are known to be unstable when the material has a compressional velocity which exceeds about three times the shear velocity. Since the material properties in seismic applications often vary rapidly on the computational grid, the most straight forward approach for guaranteeing stability is through an energy estimate. For a hyperbolic system in second order formulation, the key to an energy estimate is a spatial discretization which is self-adjoint, i.e. corresponds to a symmetric or symmetrizable matrix. At the same time we want the scheme to be efficient and fully explicit, so only local operations are necessary to evolve the solution in the interior of the domain as well as on the free-surface boundary. Furthermore, we want the solution to be accurate when the data is smooth. Using these specifications, we developed an explicit second order accurate discretization where stability is guaranteed through an energy estimate for all ratios Cp/Cs. An implementation of our finite difference method was used to simulate ground motions during the 1906 San Francisco earthquake on a uniform grid with grid sizes down to 100 meters corresponding to over 4 Billion grid points. These simulations were run on 1024 processors on one of the supercomputers at Lawrence Livermore National Lab. To reduce the computational requirements for these simulations, we are currently extending the numerical method to use a locally refined mesh where the mesh size approximately follows the velocity structure in the domain. Some
Determining the Numerical Stability of Quantum Chemistry Algorithms.
Knizia, Gerald; Li, Wenbin; Simon, Sven; Werner, Hans-Joachim
2011-08-09
We present a simple, broadly applicable method for determining the numerical properties of quantum chemistry algorithms. The method deliberately introduces random numerical noise into computations, which is of the same order of magnitude as the floating point precision. Accordingly, repeated runs of an algorithm give slightly different results, which can be analyzed statistically to obtain precise estimates of its numerical stability. This noise is produced by automatic code injection into regular compiler output, so that no substantial programming effort is required, only a recompilation of the affected program sections. The method is applied to investigate: (i) the numerical stability of the three-center Obara-Saika integral evaluation scheme for high angular momenta, (ii) if coupled cluster perturbative triples can be evaluated with single precision arithmetic, (iii) how to implement the density fitting approximation in Møller-Plesset perturbation theory (MP2) most accurately, and (iv) which parts of density fitted MP2 can be safely evaluated with single precision arithmetic. In the integral case, we find a numerical instability in an equation that is used in almost all integral programs. Due to the results of (ii) and (iv), we conjecture that single precision arithmetic can be applied whenever a calculation is done in an orthogonal basis set and excessively long linear sums are avoided.
Numerical Modelling of Wave Interaction with Porous Structures
NASA Astrophysics Data System (ADS)
Gao, F.; M., D.; M., D.; G., C.
This paper presents a numerical model for simulating wave interaction with porous structures. By using the free surface-capturing approach together with a novel Cartesian cut cell treatment, the Finite Volume Model calculates the two phase flows out side of porous structure based on the Navier-Stokes equations, while the flow in the porous structure is described by Navier-Stokes type model equations. The free surface of water is treated as a contact discontinuity in the density field which is captured automatically as part of the numerical solution by using a time-accurate artificial compressibility method and high resolution Godunov-type scheme. The numerical model is first calibrated by simple test for a steady flow passing through a porous block. Reasonably good agreements with other numerical results are obtained. After that, the numerical model is used to simulate the breaking wave overtopping a caisson breakwater, protected by a layer of armor units. The results show that the porous armor layer is effective in reducing the overtopping rate as well as in protecting the stability of the caisson breakwater.
A chaos secure communication scheme based on multiplication modulation
NASA Astrophysics Data System (ADS)
Fallahi, Kia; Leung, Henry
2010-02-01
A secure spread spectrum communication scheme using multiplication modulation is proposed. The proposed system multiplies the message by chaotic signal. The scheme does not need to know the initial condition of the chaotic signals and the receiver is based on an extended Kalman filter (EKF). This signal encryption scheme lends itself to cheap implementation and can therefore be used effectively for ensuring security and privacy in commercial consumer electronics products. To illustrate the effectiveness of the proposed scheme, a numerical example based on Genesio-Tesi system and also Chen dynamical system is presented and the results are compared.
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.
Tagawa, Toshio; Ozoe, Hiroyuki
1996-08-23
Numerical calculations were carried out for natural convection of low-Prandtl-number fluid. These calculations include the inertial terms that were approximated by six kinds of schemes, i.e., upwind scheme, hybrid scheme, second-order central difference method, Kawamura-Kuwahara scheme, Utopia scheme, and fourth-order central difference method. The average Nusselt number depended significantly on the schemes. The occurrence of oscillatory flow also depended on the schemes for inertial terms. Higher order up-winding approximations for inertial terms appear to be required to calculate natural convection of low-Prandtl-number fluids like liquid metal, even if the Rayleigh number is not large enough.
An asymptotic preserving unified gas kinetic scheme for gray radiative transfer equations
Sun, Wenjun; Jiang, Song; Xu, Kun
2015-03-15
The solutions of radiative transport equations can cover both optical thin and optical thick regimes due to the large variation of photon's mean-free path and its interaction with the material. In the small mean free path limit, the nonlinear time-dependent radiative transfer equations can converge to an equilibrium diffusion equation due to the intensive interaction between radiation and material. In the optical thin limit, the photon free transport mechanism will emerge. In this paper, we are going to develop an accurate and robust asymptotic preserving unified gas kinetic scheme (AP-UGKS) for the gray radiative transfer equations, where the radiation transport equation is coupled with the material thermal energy equation. The current work is based on the UGKS framework for the rarefied gas dynamics [14], and is an extension of a recent work [12] from a one-dimensional linear radiation transport equation to a nonlinear two-dimensional gray radiative system. The newly developed scheme has the asymptotic preserving (AP) property in the optically thick regime in the capturing of diffusive solution without using a cell size being smaller than the photon's mean free path and time step being less than the photon collision time. Besides the diffusion limit, the scheme can capture the exact solution in the optical thin regime as well. The current scheme is a finite volume method. Due to the direct modeling for the time evolution solution of the interface radiative intensity, a smooth transition of the transport physics from optical thin to optical thick can be accurately recovered. Many numerical examples are included to validate the current approach.
Placidi, M.; Jung, J. -Y.; Ratti, A.; Sun, C.
2014-07-25
This paper describes beam distribution schemes adopting a novel implementation based on low amplitude vertical deflections combined with horizontal ones generated by Lambertson-type septum magnets. This scheme offers substantial compactness in the longitudinal layouts of the beam lines and increased flexibility for beam delivery of multiple beam lines on a shot-to-shot basis. Fast kickers (FK) or transverse electric field RF Deflectors (RFD) provide the low amplitude deflections. Initially proposed at the Stanford Linear Accelerator Center (SLAC) as tools for beam diagnostics and more recently adopted for multiline beam pattern schemes, RFDs offer repetition capabilities and a likely better amplitude reproducibility when compared to FKs, which, in turn, offer more modest financial involvements both in construction and operation. Both solutions represent an ideal approach for the design of compact beam distribution systems resulting in space and cost savings while preserving flexibility and beam quality.
NASA Astrophysics Data System (ADS)
Placidi, M.; Jung, J.-Y.; Ratti, A.; Sun, C.
2014-12-01
This paper describes beam distribution schemes adopting a novel implementation based on low amplitude vertical deflections combined with horizontal ones generated by Lambertson-type septum magnets. This scheme offers substantial compactness in the longitudinal layouts of the beam lines and increased flexibility for beam delivery of multiple beam lines on a shot-to-shot basis. Fast kickers (FK) or transverse electric field RF Deflectors (RFD) provide the low amplitude deflections. Initially proposed at the Stanford Linear Accelerator Center (SLAC) as tools for beam diagnostics and more recently adopted for multiline beam pattern schemes, RFDs offer repetition capabilities and a likely better amplitude reproducibility when compared to FKs, which, in turn, offer more modest financial involvements both in construction and operation. Both solutions represent an ideal approach for the design of compact beam distribution systems resulting in space and cost savings while preserving flexibility and beam quality.
NASA Astrophysics Data System (ADS)
Hashemi, M. S.; Baleanu, D.
2016-07-01
We propose a simple and accurate numerical scheme for solving the time fractional telegraph (TFT) equation within Caputo type fractional derivative. A fictitious coordinate ϑ is imposed onto the problem in order to transform the dependent variable u (x , t) into a new variable with an extra dimension. In the new space with the added fictitious dimension, a combination of method of line and group preserving scheme (GPS) is proposed to find the approximate solutions. This method preserves the geometric structure of the problem. Power and accuracy of this method has been illustrated through some examples of TFT equation.
Multigrid time-accurate integration of Navier-Stokes equations
NASA Technical Reports Server (NTRS)
Arnone, Andrea; Liou, Meng-Sing; Povinelli, Louis A.
1993-01-01
Efficient acceleration techniques typical of explicit steady-state solvers are extended to time-accurate calculations. Stability restrictions are greatly reduced by means of a fully implicit time discretization. A four-stage Runge-Kutta scheme with local time stepping, residual smoothing, and multigridding is used instead of traditional time-expensive factorizations. Some applications to natural and forced unsteady viscous flows show the capability of the procedure.
Truncation effect on Taylor-Aris dispersion in lattice Boltzmann schemes: Accuracy towards stability
NASA Astrophysics Data System (ADS)
Ginzburg, Irina; Roux, Laetitia
2015-10-01
The Taylor dispersion in parabolic velocity field provides a well-known benchmark for advection-diffusion (ADE) schemes and serves as a first step towards accurate modeling of the high-order non-Gaussian effects in heterogeneous flow. While applying the Lattice Boltzmann ADE two-relaxation-times (TRT) scheme for a transport with given Péclet number (Pe) one should select six free-tunable parameters, namely, (i) molecular-diffusion-scale, equilibrium parameter; (ii) three families of equilibrium weights, assigned to the terms of mass, velocity and numerical-diffusion-correction, and (iii) two relaxation rates. We analytically and numerically investigate the respective roles of all these degrees of freedom in the accuracy and stability in the evolution of a Gaussian plume. For this purpose, the third- and fourth-order transient multi-dimensional analysis of the recurrence equations of the TRT ADE scheme is extended for a spatially-variable velocity field. The key point is in the coupling of the truncation and Taylor dispersion analysis which allows us to identify the second-order numerical correction δkT to Taylor dispersivity coefficient kT. The procedure is exemplified for a straight Poiseuille flow where δkT is given in a closed analytical form in equilibrium and relaxation parameter spaces. The predicted longitudinal dispersivity is in excellent agreement with the numerical experiments over a wide parameter range. In relatively small Pe-range, the relative dispersion error increases with Péclet number. This deficiency reduces in the intermediate and high Pe-range where it becomes Pe-independent and velocity-amplitude independent. Eliminating δkT by a proper parameter choice and employing specular reflection for zero flux condition on solid boundaries, the d2Q9 TRT ADE scheme may reproduce the Taylor-Aris result quasi-exactly, from very coarse to fine grids, and from very small to arbitrarily high Péclet numbers. Since free-tunable product of two
NASA Astrophysics Data System (ADS)
Qin, Yi; Wang, Hongjuan; Wang, Zhipeng; Gong, Qiong; Wang, Danchen
2016-09-01
In optical interference-based encryption (IBE) scheme, the currently available methods have to employ the iterative algorithms in order to encrypt two images and retrieve cross-talk free decrypted images. In this paper, we shall show that this goal can be achieved via an analytical process if one of the two images is QR code. For decryption, the QR code is decrypted in the conventional architecture and the decryption has a noisy appearance. Nevertheless, the robustness of QR code against noise enables the accurate acquisition of its content from the noisy retrieval, as a result of which the primary QR code can be exactly regenerated. Thereafter, a novel optical architecture is proposed to recover the grayscale image by aid of the QR code. In addition, the proposal has totally eliminated the silhouette problem existing in the previous IBE schemes, and its effectiveness and feasibility have been demonstrated by numerical simulations.