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At least 91 records · Page 5

Algorithms for the Fractional Calculus: A Selection of Numerical Methods

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

Diethelm, K.↗

Toward Immersed Boundary Simulation of High Reynolds Number Flows

In the immersed boundary (IB) method, the surface of an object is reconstructed with forcing terms in the underlying flow field equations. The surface may split a computational cell removing the constraint of the near wall gridlines to be aligned with the surface. This feature greatly simplifies the grid generation process which is cumbersome and expensive in particular for structured grids and complex geometries. The IB method is ideally suited for Cartesian flow solvers. The flow equations written in Cartesian coordinates appear in a very simple form and several numerical algorithms can be used for an efficient solution of the equations. In addition, the accuracy of numerical algorithms is dependent on the underlying grid and it usually deteriorates when the grid deviates from a Cartesian mesh. The challenge for the IB method lies in the representation of the wall boundaries and in providing an adequate near wall flow field resolution. The issue of enforcing no-slip boundary conditions at the immersed surface has been addressed by several authors by imposing a local reconstruction of the solution. Initial work by Verzicco et al. was based on a simple linear, one-dimensional operator and this approach proved to be accurate for boundaries largely aligned with the grid lines. Majumdar et al. used various multidimensional and high order polynomial interpolations schemes. These high order schemes, however, are keen to introduce wiggles and spurious extrema. Iaccarino & Verzicco and Kalitzin & Iaccarino proposed a tri-linear reconstruction for the velocity components and the turbulent scalars. A modified implementation that has proven to be more robust is reported in this paper. The issue of adequate near wall resolution in a Cartesian framework can initially be addressed by using a non-uniform mesh which is stretched near the surface. In this paper, we investigate an unstructured approach for local grid refinement that utilizes Cartesian mesh features. The computation of high Reynolds number wall bounded flows is particularly challenging as it requires the consideration of thin turbulent boundary layers, i.e. near wall regions with large gradients of the flow field variables. For such flows, the representation of the wall boundary has a large impact on the accuracy of the computation. It is also critical for the robustness and convergence of the flow solver.

Kalitzin, Georgi↗

Localized Exponential Time Differencing Method for Shallow Water Equations: Algorithms and Numerical Study

Here, we explore the performance of the exponential time differencing (ETD) method applied to the rotating shallow water equations. Comparing with explicit time stepping of the same order accuracy in time, the ETD algorithms could reduce the computational time in many cases by allowing the use of large time step sizes while still maintaining numerical stability. To accelerate the ETD simulations, we propose a localized approach that synthesizes the ETD method and overlapping domain decomposition. By dividing the original problem into many subdomain problems of smaller sizes and solving them locally, the proposed approach could speed up the calculation of matrix exponential vector products. Several standard test cases for shallow water equations of one or multiple layers are considered. The results show great potential of the localized ETD method for high-performance computing because each subdomain problem can be naturally solved in parallel at every time step.

58 GEOSCIENCES↗

Parallel language constructs for tensor product computations on loosely coupled architectures

A set of language primitives designed to allow the specification of parallel numerical algorithms at a higher level is described. The authors focus on tensor product array computations, a simple but important class of numerical algorithms. They consider first the problem of programming one-dimensional kernel routines, such as parallel tridiagonal solvers, and then look at how such parallel kernels can be combined to form parallel tensor product algorithms.

Mehrotra, Piyush↗

Parallel language constructs for tensor product computations on loosely coupled architectures

Distributed memory architectures offer high levels of performance and flexibility, but have proven awkard to program. Current languages for nonshared memory architectures provide a relatively low level programming environment, and are poorly suited to modular programming, and to the construction of libraries. A set of language primitives designed to allow the specification of parallel numerical algorithms at a higher level is described. Tensor product array computations are focused on along with a simple but important class of numerical algorithms. The problem of programming 1-D kernal routines is focused on first, such as parallel tridiagonal solvers, and then how such parallel kernels can be combined to form parallel tensor product algorithms is examined.

Mehrotra, Piyush↗

Numerical advection algorithms and their role in atmospheric transport and chemistry models

During the last 35 years, well over 100 algorithms for modeling advection processes have been described and tested. This review summarizes the development and improvements that have taken place. The nature of the errors caused by numerical approximation to the advection equation are highlighted. Then the particular devices that have been proposed to remedy these errors are discussed. The extensive literature comparing transport algorithms is reviewed. Although there is no clear cut 'best' algorithm, several conclusions can be made. Spectral and pseudospectral techniques consistently provide the highest degree of accuracy, but expense and difficulties assuring positive mixing ratios are serious drawbacks. Schemes which consider fluid slabs bounded by grid points (volume schemes), rather than the simple specification of constituent values at the grid points, provide accurate positive definite results.

Rood, Richard B.↗

A conservative implicit finite difference algorithm for the unsteady transonic full potential equation

An implicit finite difference procedure is developed to solve the unsteady full potential equation in conservation law form. Computational efficiency is maintained by use of approximate factorization techniques. The numerical algorithm is first order in time and second order in space. A circulation model and difference equations are developed for lifting airfoils in unsteady flow; however, thin airfoil body boundary conditions have been used with stretching functions to simplify the development of the numerical algorithm.

Steger, J. L.↗

Numerically efficient algorithm for model development of high-order systems

A technique for estimating transfer functions in partial fraction expansion form from frequency response data for a high-order system is presented. The problem formulation avoids many of the numerical difficulties associated with high-order polynomials and has the advantage of having the option to fix the camping and frequency of a mode, if known, during the estimation process. The resulting transfer function(s) may be converted to Jordan-Form time domain equations directly. During the implementation of this technique, a frequency and amplitude normalizing window was developed that maximized the efficiency of the optimization algorithm. The combination of estimating the transfer function in factored form, the ability to fix preciously determined parameters and the effectiveness of the normalizing window led to a progressive approach to synthesizing transfer functions from frequency response data for high-order systems.

Parada, L. O.↗

On the Solution of the Three-Dimensional Flowfield About a Flow-Through Nacelle

The solution of the three dimensional flow field for a flow through nacelle was studied. Both inviscid and viscous inviscid interacting solutions were examined. Inviscid solutions were obtained with two different computational procedures for solving the three dimensional Euler equations. The first procedure employs an alternating direction implicit numerical algorithm, and required the development of a complete computational model for the nacelle problem. The second computational technique employs a fourth order Runge-Kutta numerical algorithm which was modified to fit the nacelle problem. Viscous effects on the flow field were evaluated with a viscous inviscid interacting computational model. This model was constructed by coupling the explicit Euler solution procedure with a flag entrainment boundary layer solution procedure in a global iteration scheme. The computational techniques were used to compute the flow field for a long duct turbofan engine nacelle at free stream Mach numbers of 0.80 and 0.94 and angles of attack of 0 and 4 deg.

Compton, William Bernard↗

Verification of Bison fission product species conservation under TRISO reactor conditions

When assessing the reliability and predictive capabilities of a simulation tool, code verification is used to ensure that the implemented numerical algorithm is a faithful representation of its underlying mathematical model, including partial differential or integral equations, initial and boundary conditions, and auxiliary relationships. During this process, numerical results in a discrete solution are compared to the analytical solution of the mathematical model. Here, in this paper, the code verification process is applied to one-dimensional spatiotemporal problems that exercise partial differential equation governing the conservation of fission product species (or mass diffusion). Numerical experiments were performed in the Bison fuel performance code to evaluate its predictive capability under various TRISO reactor conditions such as base irradiation and safety heating test conditions for either short- or long-lived fission product species, as well as a case concerning evaporation from the outer surface of a particle. The code predictions were compared with the expected exact results obtained from the analytical expressions, and the fact that they demonstrate the correct analytical behavior provides strong evidence of proper numerical algorithm implementation.

07 ISOTOPE AND RADIATION SOURCES↗

Algorithms for numerically stable scattering amplitudes

The numerically stable evaluation of scattering matrix elements near the infrared limit of gauge theories is of great importance for the success of collider physics experiments. We present a novel algorithm that utilizes double-precision arithmetic and reaches higher precision than a naive quadruple-precision implementation at smaller computational cost. The method is based on physics-driven modifications to propagators, vertices, and external polarizations. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Efficient Neural Network Approaches for Conditional Optimal Transport with Applications in Bayesian Inference

In this work, we present two neural network approaches that approximate the solutions of static and dynamic conditional optimal transport (COT) problems. Both approaches enable conditional sampling and conditional density estimation, which are core tasks in Bayesian inference—particularly in the simulation-based (“likelihood-free”) setting. Our methods represent the target conditional distribution as a transformation of a tractable reference distribution. Obtaining such a transformation, chosen here to be an approximation of the COT map, is computationally challenging even in moderate dimensions. To improve scalability, our numerical algorithms use neural networks to parameterize candidate maps and further exploit the structure of the COT problem. Our static approach approximates the map as the gradient of a partially input convex neural network. It uses a novel numerical implementation to increase computational efficiency compared to state-of-the-art alternatives. Our dynamic approach approximates the conditional optimal transport via the flow map of a regularized neural ODE; compared to the static approach, it is slower to train but offers more modeling choices and can lead to faster sampling. We demonstrate both algorithms numerically, comparing them with competing state-of-the-art approaches, using benchmark datasets and simulation-based Bayesian inverse problems.

97 MATHEMATICS AND COMPUTING↗

Supersonic Navier-Stokes simulations of turbulent afterbody flows

Four numerical algorithms and three turbulence models are used to solve the thin layer three-dimensional Reynolds-averaged Navier-Stokes equations for the supersonic flow past a nonaxisymmetric nozzle. The four numerical algorithms evaluated are based on upwind differencing and feature time-dependent, space relaxation, and parabolized schemes. The three different algebraic turbulence models are the Baldwin-Lomax (1978), the nonequilibrium model of Johnson and King (1985), and the Goldberg (1989) modification for the separated flow region. The present investigation was conducted at freestream Mach numbers of 1.2 and 1.3 and at an angle of attack of 0.0 deg. The Reynolds numbers for the investigation ranged from 20.5 million to 21.5 million, based on the model length. The calculations are compared with experimental data.

Abdol-Hamid, Khaled S.↗

Numerically stable algorithm for discrete-ordinate-method radiative transfer in multiple scattering and emitting layered media

The transfer of monochromatic radiation in a scattering, absorbing, and emitting plane-parallel medium with a specified bidirectional reflectivity at the lower boundary is considered. The equations and boundary conditions are summarized. The numerical implementation of the theory is discussed with attention given to the reliable and efficient computation of eigenvalues and eigenvectors. Ways of avoiding fatal overflows and ill-conditioning in the matrix inversion needed to determine the integration constants are also presented.

Stamnes, Knut↗

Feasibility of using the Massively Parallel Processor for large eddy simulations and other Computational Fluid Dynamics applications

The results of an investigation into the feasibility of using the MPP for direct and large eddy simulations of the Navier-Stokes equations is presented. A major part of this study was devoted to the implementation of two of the standard numerical algorithms for CFD. These implementations were not run on the Massively Parallel Processor (MPP) since the machine delivered to NASA Goddard does not have sufficient capacity. Instead, a detailed implementation plan was designed and from these were derived estimates of the time and space requirements of the algorithms on a suitably configured MPP. In addition, other issues related to the practical implementation of these algorithms on an MPP-like architecture were considered; namely, adaptive grid generation, zonal boundary conditions, the table lookup problem, and the software interface. Performance estimates show that the architectural components of the MPP, the Staging Memory and the Array Unit, appear to be well suited to the numerical algorithms of CFD. This combined with the prospect of building a faster and larger MMP-like machine holds the promise of achieving sustained gigaflop rates that are required for the numerical simulations in CFD.

Bruno, John↗

Implementation of a kappa-epsilon turbulence model to RPLUS3D code

The RPLUS3D code has been developed at the NASA Lewis Research Center to support the National Aerospace Plane (NASP) project. The code has the ability to solve three dimensional flowfields with finite rate combustion of hydrogen and air. The combustion process of the hydrogen-air system are simulated by an 18 reaction path, 8 species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though a fully implicit numerical algorithm is used. A k-epsilon turbulence model has recently been incorporated into the code. Initial validations have been conducted for a flow over a flat plate. Results of the validation studies are shown. Some difficulties in implementing the k-epsilon equations to the code are also discussed.

Chitsomboon, Tawit↗

Turbulence modeling in supersonic combusting flows

To support the National Aerospace Plane project, the RPLUS3D CFD code has been developed at NASA Lewis. The code has the ability to solve three-dimensional flowfields with finite rate combustion of hydrogen and air. The combustion processes of the hydrogen-air system are simulated by an 18-reaction path, 8-species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though it uses a fully implicit numerical algorithm. A k-epsilon (two equation) turbulence model is incorporated into the RPLUS3D code.

Chitsomboon, Tawit↗