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At least 145 records · Page 8

An Introduction of Numerical Methods for Unconstrained Nonlinear Equations

Many applications in computational physics are nonlinear problems. These nonlinear problems include quantitative object reconstruction problems, inverse transport problems, nuclear weapon design problems, and particle tracking on unstructured meshes. The numerical algorithms used to solve nonlinear equations should be robust, reliable, and efficient. Numerical methods for unconstrained nonlinear equations are introduced in the slides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical methods for the weakly compressible Generalized Langevin Model in Eulerian reference frame

A well established approach for the computation of turbulent flow without resolving all turbulent flow scales is to solve a filtered or averaged set of equations, and to model non-resolved scales by closures derived from transported probability density functions (PDF) for velocity fluctuations. Effective numerical methods for PDF transport employ the equivalence between the Fokker–Planck equation for the PDF and a Generalized Langevin Model (GLM), and compute the PDF by transporting a set of sampling particles by GLM (Pope (1985) [1]). The natural representation of GLM is a system of stochastic differential equations in a Lagrangian reference frame, typically solved by particle methods. A representation in a Eulerian reference frame, however, has the potential to significantly reduce computational effort and to allow for the seamless integration into a Eulerian-frame numerical flow solver. GLM in a Eulerian frame (GLMEF) formally corresponds to the nonlinear fluctuating hydrodynamic equations derived by Nakamura and Yoshimori (2009) [12]. Unlike the more common Landau–Lifshitz Navier–Stokes (LLNS) equations these equations are derived from the underdamped Langevin equation and are not based on a local equilibrium assumption. Similarly to LLNS equations the numerical solution of GLMEF requires special considerations. In this paper we investigate different numerical approaches to solving GLMEF with respect to the correct representation of stochastic properties of the solution. We find that a discretely conservative staggered finite-difference scheme, adapted from a scheme originally proposed for turbulent incompressible flow, in conjunction with a strongly stable (for non-stochastic PDE) Runge–Kutta method performs better for GLMEF than schemes adopted from those proposed previously for the LLNS. We show that equilibrium stochastic fluctuations are correctly reproduced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical methods for the inverse problem of density functional theory

Here, the inverse problem of Kohn–Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the numerical methods for solving each problem are substantially different. We examine both problems in this tutorial with a special emphasis on the algorithms and error analysis needed for solving the inverse problem. Two inversion methods based on partial differential equation constrained optimization and constrained variational ideas are introduced. We compare and contrast several different inversion methods applied to one-dimensional finite and periodic model systems.

97 MATHEMATICS AND COMPUTING↗

A numerical method for unsteady aerodynamics via acoustics

Formal solutions to the wave equation may be conveniently described within the framework of generalized function theory. A generalized function theory is used to yield a formulation and formal solution of a wave equation describing oscillation of a flat plate from which a numerical method may be derived.

Hodge, Steve↗

GASP Advancements With Symbolic Computations, Optimization, and Decoupled Numerical Methods

NASA is exploring advancements in hybrid-electric propulsion concepts for aircraft design. A new analysis capability has been deployed at NASA’s Ames Research Center using a new mathematical modeling framework in Python that leverages symbolic representation of mathematical expressions, optimization-based problem formulations, and standalone numerical methods. This capability, called Gascon, has been verified against NASA’s General Aviation Synthesis Program (GASP) results for several vehicles that exercise the analysis capability for a variety of aircraft classes and engine models, including both turbofans and turboprops. We believe this capability will set the stage for more rapid development of novel aircraft models with more flexible design assessments using optimization, and more traceable analysis for reproducibility. Additionally, a novel Pareto optimization-based design space exploration that shows the trade between range flown and fuel burn by manipulating the thrust split during cruise for a true parallel hybrid aircraft was developed by leveraging the unique features of Gascon.

aircraft design↗

Numerical Method Improvements in Griffin for Pebble Bed Reactors with a Focus on the Computation of Burnup

Griffin, a MOOSE (Multiphysics Object-Oriented Simulation Environment) based application targeting transient multiphysics modeling of advanced reactors, has been used recently to model both high-temperature gas-cooled and fluoride-salt-cooled pebble bed reactors (PBRs). Griffin uses deterministic methods for solving neutron transport and an Eulerian approach to model pebble movement. An Eulerian approach is also used to directly compute burnup instead of using a pass approach like other tools such as VSOP or PANGU. This work discusses verification efforts and numerical method improvements related specifically to the Eulerian modeling approach implemented for directly computing pebble burnup.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

A Feynman-Kac based numerical method for the exit time probability of a class of transport problems

The exit time probability, which gives the likelihood that an initial condition leaves a prescribed region of the phase space of a dynamical system at, or before, a given time, is arguably one of the most natural and important transport problems. In this work, we present an accurate and efficient numerical method for computing this probability for systems described by non-autonomous (time-dependent) stochastic differential equations (SDEs) or their equivalent Fokker-Planck partial differential equations. The method is based on the direct approximation of the Feynman-Kac formula that establishes a link between the adjoint Fokker-Planck equation and the forward SDE. The Feynman-Kac formula is approximated using the Gauss-Hermite quadrature rules and piecewise cubic Hermite interpolating polynomials, and a GPU accelerated matrix representation is used to compute the entire time evolution of the exit time probability using a single pass of the algorithm. The method is unconditionally stable, exhibits second order convergence in space, first order convergence in time, and it is straightforward to parallelize. Applications are presented to the advection diffusion of a passive tracer in a fluid flow exhibiting chaotic advection, and to the runaway acceleration of electrons in a plasma in the presence of an electric field, collisions, and radiation damping. Benchmarks against analytical solutions as well as comparisons with explicit and implicit finite difference standard methods for the adjoint Fokker-Planck equation are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An efficient numerical method for solving the time-dependent compressible Navier-Stokes equations at high Reynolds number

A fine-mesh method incorporating two new operators, which drastically reduces the computation time, has been developed for solving the time-dependent Navier-Stokes equations at flight Reynolds numbers. The approach time-splits the equations into a hyperbolic part and a parabolic part, solves the hyperbolic part by a new explicit numerical method based on characteristics theory, and solves the parabolic part by a new efficient implicit parabolic method. The method has reduced the computation time by one and two orders of magnitude from that required previously to solve for the interaction of a shock wave with a boundary layer on a flat plate.

Maccormack, R. W.↗

Numerical method for computing Maass cusp forms on triply punctured two-sphere

A quantum mechanical system on a punctured surface modeled on hyperbolic space has always been an important subject of research in mathematics and physics. This corresponding quantum system is governed by the Schrödinger equation whose solutions are the Maass waveforms. Spectral studies on these Maass waveforms are known to contain both continuous and discrete eigenvalues. The discrete eigenfunctions are usually called the Maass Cusp Forms (MCF) where their discrete eigenvalues are not known analytically. We introduce a numerical method based on Hejhal and Then algorithm using GridMathematica for computing MCF on a punctured surface with three cusps namely the triply punctured two-sphere. We also report on a pullback algorithm for the punctured surface and a point locater algorithm to facilitate the complete pullback which are essential parts of the main algorithm.

97 MATHEMATICS AND COMPUTING↗

A comparative study of time-marching and space-marching numerical methods

Menees (1981) has conducted an evaluation of three different flowfield codes for the Jupiter entry conditions. However, a comparison of the codes has been made difficult by the fact that the three codes use different solution procedures, different computational mesh sizes, and a different convergence criterion. There are also other differences. For an objective evaluation of the different numerical solution methods employed by the codes, it would be desirable to select a simple no-blowing perfect-gas flowfield case for which the turbulent models are well established. The present investigation is concerned with the results of such a study. It is found that the choice of the numerical method is rather problem dependent. The time-marching and the space-marching method provide both comparable results if care is taken in selecting the appropriate mesh size near the body surface.

Gupta, R. N.↗

A simple numerical method for evaluating heat dissipation from curved wires with periodic applied heating

In many situations, the dual-purpose heater/thermometer wires used in the three-omega method – one of the most precise and sensitive techniques for measuring the thermal conductivity of thin films and interfaces – must include bends and curves to avoid obstructions on the surface of a sample. Although the three-omega analysis assumes that the heating wire is infinitely long and straight, recent experimental work has demonstrated that in some cases curved-wire geometries can be used without introducing detectable systematic error. We describe a general numerical method that can be used to calculate the temperature of three-omega heating wires with arbitrary wire geometries. Furthermore, this method provides experimentalists with a simple quantitative procedure for calculating how large the systematic error caused by a particular wire asymmetry will be. We show calculations of two useful cases: a straight wire with a single bend of arbitrary angle and a wire that forms a circle. We find that the amplitude of the in-phase temperature oscillations near a wire that forms a circle differs from the prediction using the analytic straight-line source solution by <12%, provided that the thermal penetration depth is less than ten times the radius of curvature of the wire path. The in-phase temperature amplitude 1.5 wire widths away from a 90° bend in a wire is within 11% of the straight-line source prediction for all penetration depths greater than the wire width. Our calculations indicate that the straight-line source solution breaks down significantly when the wire bend angle is less than 45°.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Numerical methods for nonlocal and fractional models

Partial differential equations (PDEs) are used with huge success to model phenomena across all scientific and engineering disciplines. However, across an equally wide swath, there exist situations in which PDEs fail to adequately model observed phenomena, or are not the best available model for that purpose. On the other hand, in many situations, nonlocal models that account for interaction occurring at a distance have been shown to more faithfully and effectively model observed phenomena that involve possible singularities and other anomalies. Here, we consider a generic nonlocal model, beginning with a short review of its definition, the properties of its solution, its mathematical analysis and of specific concrete examples. We then provide extensive discussions about numerical methods, including finite element, finite difference and spectral methods, for determining approximate solutions of the nonlocal models considered. In that discussion, we pay particular attention to a special class of nonlocal models that are the most widely studied in the literature, namely those involving fractional derivatives. The article ends with brief considerations of several modelling and algorithmic extensions, which serve to show the wide applicability of nonlocal modelling.

97 MATHEMATICS AND COMPUTING↗

Numerical methods for nonlocal and fractional models

Partial differential equations (PDEs) are used, with huge success, to model phenomena arising across all scientific and engineering disciplines. However, across an equally wide swath, there exist situations in which PDE models fail to adequately model observed phenomena or are not the best available model for that purpose. On the other hand, in many situations, nonlocal models that account for interaction occurring at a distance have been shown to more faithfully and effectively model observed phenomena that involve possible singularities and other anomalies. In this article, we consider a generic nonlocal model, beginning with a short review of its definition, the properties of its solution, its mathematical analysis, and specific concrete examples. We then provide extensive discussions about numerical methods, including finite element, finite difference, and spectral methods, for determining approximate solutions of the nonlocal models considered. In that discussion, we pay particular attention to a special class of nonlocal models that are the most widely studied in the literature, namely those involving fractional derivatives. The article ends with brief considerations of several modeling and algorithmic extensions which serve to show the wide applicability of nonlocal modeling.

97 MATHEMATICS AND COMPUTING↗

A robust and accurate numerical method for transcritical turbulent flows at supercritical pressure with an arbitrary equation of state

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.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Finite-Strain Fractional-Order Viscoelastic (FOV) Material Models and Numerical Methods for Solving Them

Fraction-order viscoelastic (FOV) material models have been proposed and studied in 1D since the 1930's, and were extended into three dimensions in the 1970's under the assumption of infinitesimal straining. It was not until 1997 that Drozdov introduced the first finite-strain FOV constitutive equations. In our presentation, we shall continue in this tradition by extending the standard, FOV, fluid and solid, material models introduced in 1971 by Caputo and Mainardi into 3D constitutive formula applicable for finite-strain analyses. To achieve this, we generalize both the convected and co-rotational derivatives of tensor fields to fractional order. This is accomplished by defining them first as body tensor fields and then mapping them into space as objective Cartesian tensor fields. Constitutive equations are constructed using both variants for fractional rate, and their responses are contrasted in simple shear. After five years of research and development, we now possess a basic suite of numerical tools necessary to study finite-strain FOV constitutive equations and their iterative refinement into a mature collection of material models. Numerical methods still need to be developed for efficiently solving fraction al-order integrals, derivatives, and differential equations in a finite element setting where such constitutive formulae would need to be solved at each Gauss point in each element of a finite model, which can number into the millions in today's analysis.

Freed, Alan D.↗

A Numerical Method for Calculating Stellar Occultation Light Curves from an Arbitrary Atmospheric Model

We present a method for speeding up numerical calculations of a light curve for a stellar occultation by a planetary atmosphere with an arbitrary atmospheric model that has spherical symmetry. This improved speed makes least-squares fitting for model parameters practical. Our method takes as input several sets of values for the first two radial derivatives of the refractivity at different values of model parameters, and interpolates to obtain the light curve at intermediate values of one or more model parameters. It was developed for small occulting bodies such as Pluto and Triton, but is applicable to planets of all sizes. We also present the results of a series of tests showing that our method calculates light curves that are correct to an accuracy of 10(exp -4) of the unocculted stellar flux. The test benchmarks are (i) an atmosphere with a l/r dependence of temperature, which yields an analytic solution for the light curve, (ii) an atmosphere that produces an exponential refraction angle, and (iii) a small-planet isothermal model. With our method, least-squares fits to noiseless data also converge to values of parameters with fractional errors of no more than 10(exp -4), with the largest errors occurring in small planets. These errors are well below the precision of the best stellar occultation data available. Fits to noisy data had formal errors consistent with the level of synthetic noise added to the light curve. We conclude: (i) one should interpolate refractivity derivatives and then form light curves from the interpolated values, rather than interpolating the light curves themselves; (ii) for the most accuracy, one must specify the atmospheric model for radii many scale heights above half light; and (iii) for atmospheres with smoothly varying refractivity with altitude, light curves can be sampled as coarsely as two points per scale height.

Chamberlain, D. M.↗

Three-dimensional fully spectral numerical method for mantle convection with depth-dependent properties

A semi-implicit fully spectral collocation method for the simulation of three-dimensional mantle convection with depth-dependent thermo-dynamic and transport properties is presented. The variable property Navier-Stokes equation expressed in terms of the primitive variable velocity and pressure is solved with the mass continuity and temperature equations. The periodic horizontal boundary conditions allow a Fourier expansion for the two horizontal directions. The stress-free, impermeable isothermal boundary conditions along with the depth dependent coefficients are handled with a Chebyshev expansion in the vertical direction. In the limit of an infinite Prandtl number appropriate to mantle convection, the inertial terms in the momentum equation are unimportant. In this case an explicit solution of a Poisson equation for pressure can be avoided; instead a fourth-order equation for vertical velocity can be solved. Simultaneous imposition of both impermeable and continuity boundary conditions during the vertical velocity evaluation is discussed. The pressure distributions on the top and bottom bounding planes were determined by means of an influence matrix technique. The numerical method employed here avoids time-splitting errors and enforces velocity boundary conditions and continuity over the entire domain, including the boundaries, to machine accuracy. Strongly time-dependent three-dimensional solutions up to a surface Rayleigh number of 1 x 10(exp 7) have been obtained. Strong upwellings, pulsating chaotically, are formed by the collective merging of cylindrical plumes.

Balachandar, S.↗

Numerical methods and computers used in elastohydrodynamic lubrication

Some of the methods of obtaining approximate numerical solutions to boundary value problems that arise in elastohydrodynamic lubrication are reviewed. The highlights of four general approaches (direct, inverse, quasi-inverse, and Newton-Raphson) are sketched. Advantages and disadvantages of these approaches are presented along with a flow chart showing some of the details of each. The basic question of numerical stability of the elastohydrodynamic lubrication solutions, especially in the pressure spike region, is considered. Computers used to solve this important class of lubrication problems are briefly described, with emphasis on supercomputers.

Hamrock, B. J.↗