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NASA NTRS1983

Postbuckling of long orthotropic plates in combined shear and compression

The nonlinear large-deflection partial differential equations of von karman for orthotropic plates loaded in combined shear and compression are converted into a set of first-order nonlinear ordinary differential equations by assuming trigonometric functions in one direction. These equations are solved numerically using a two point boundary problem solver which makes use of Newton's method. Results are obtained which determine the postbuckling behavior of rectangular plates with loading up to about three times the buckling load. Both isotropic and orthotropic composite plates are considered. Results show that orthotropic plates may behave quite differently than isotropic plates and that in-plane boundary conditions are important for plates loaded in shear.

Stein, M.↗

NASA NTRS1984

A review of spectral methods

An outline for spectral methods for partial differential equations is presented. The basic spectral algorithm is defined, collocation are emphasized and the main advantage of the method, the infinite order of accuracy in problems with smooth solutions are discussed. Examples of theoretical numerical analysis of spectral calculations are presented. An application of spectral methods to transonic flow is presented. The full potential transonic equation is among the best understood among nonlinear equations.

Lustman, L.↗

NASA NTRS1994

Investigation of finite element: ABC methods for electromagnetic field simulation

The mechanics of wave propagation in the presence of obstacles is of great interest in many branches of engineering and applied mathematics like electromagnetics, fluid dynamics, geophysics, seismology, etc. Such problems can be broadly classified into two categories: the bounded domain or the closed problem and the unbounded domain or the open problem. Analytical techniques have been derived for the simpler problems; however, the need to model complicated geometrical features, complex material coatings and fillings, and to adapt the model to changing design parameters have inevitably tilted the balance in favor of numerical techniques. The modeling of closed problems presents difficulties primarily in proper meshing of the interior region. However, problems in unbounded domains pose a unique challenge to computation, since the exterior region is inappropriate for direct implementation of numerical techniques. A large number of solutions have been proposed but only a few have stood the test of time and experiment. The goal of this thesis is to develop an efficient and reliable partial differential equation technique to model large three dimensional scattering problems in electromagnetics.

Chatterjee, A.↗

NASA NTRS1972

Analytic partial derivatives for estimating low-thrust parameters.

Analytic partial derivatives for estimating orbital low-thrust parameters via differential correction are developed and compared with two different numerical methods. The formulation is independent of the particular thrust model used and is applicable to all physically possible elliptic orbits. The starting point for the development is the set of variational equations of the elliptic orbital elements in the form due to Lagrange. The first time derivatives of the elements are transformed to derivatives with respect to the space variable, true anomaly, and integrated to first order in closed form in a straightforward general perturbations approach, with one exception: particular attention is given to the mean anomaly as influenced by thrust perturbations in the semimajor axis so that the complete first-order effect is included. The partials of the elements are then taken with respect to any given thrust parameter. Two comparisons are made with numerical methods for computing these thrust partials: numerical quotients and numerical integration of the variational equations for thrust.

Cunningham, G. W.↗

NASA NTRS1975

Gravitational collapse of a turbulent vortex with application to star formation

The gravitational collapse of a rotating cloud or vortex is analyzed by expanding the dependent variables in the equations of motion in two-dimensional Taylor series in the space variables. It is shown that the gravitation and rotation terms in the equations are of first order in the space variables, the pressure gradient terms are of second order, and the turbulent viscosity term is of third order. The presence of a turbulent viscosity insures that the initial rotation is solid-body-like near the origin. The effect of pressure on the collapse process is found to depend on the shape of the initial density disturbance at the origin. Dimensionless collapse times, as well as the evolution of density and velocity, are calculated by solving numerically the system of nonlinear ordinary differential equations resulting from the series expansions. The axial inflow plays an important role and allows collapse to occur even when the rotation is large. An approximate solution of the governing partial differential equations is also given; the equations are used to study the spacial distributions of the density and velocity.

Deissler, R. G.↗

NASA NTRS1975

Gravitational collapse of a turbulent vortex with application to star formation

The gravitational collapse of a rotating cloud or vortex is analyzed by expanding the dependent variables in the equations of motion in two-dimensional Taylor series in the space variables. It is shown that the gravitation and rotation terms in the equations are of first order in the space variables, the pressure gradient terms are of second order, and the turbulent viscosity term is of third order. The presence of a turbulent viscosity insures that the initial rotation is solid-body-like near the origin. The effect of pressure on the collapse process is found to depend on the shape of the intial density disturbance at the origin. Dimensionless collapse times, as well as the evolution of density and velocity, are calculated by solving numerically the system of nonlinear ordinary differential equations resulting from the series expansions. The axial inflow plays an important role and allows collapse to occur even when the rotation is large. An approximate solution of the governing partial differential equations is also given, in order to study the spacial distributions of the density and velocity.

Deissler, R. G.↗

NASA NTRS1976

Gravitational collapse of a turbulent vortex with application to star formation

The gravitational collapse of a rotating cloud or vortex is analyzed by expanding the dependent variables in the equations of motion in two-dimensional Taylor series in the space variables. It is shown that the gravitational and rotational terms in the equations are of first order in the space variables, the pressure-gradient terms are of second order, and the turbulent-viscosity term is of third order. The presence of turbulent viscosity ensures that the initial rotation is solid-body-like near the origin. The effect of pressure on the collapse process is found to depend on the shape of the initial density disturbance at the origin. Dimensionless collapse times, as well as the evolution of density and velocity, are calculated by solving numerically the system of nonlinear ordinary differential equations resulting from the series expansions. The axial flow is always inward and allows collapse to occur (axially) even when the rotation is large. An approximate solution of the governing partial differential equations is also given in order to study the spatial distributions of the density and velocity.

Deissler, R. G.↗

NASA NTRS1996

Parallel Newton-Krylov-Schwarz algorithms for the transonic full potential equation

We study parallel two-level overlapping Schwarz algorithms for solving nonlinear finite element problems, in particular, for the full potential equation of aerodynamics discretized in two dimensions with bilinear elements. The overall algorithm, Newton-Krylov-Schwarz (NKS), employs an inexact finite-difference Newton method and a Krylov space iterative method, with a two-level overlapping Schwarz method as a preconditioner. We demonstrate that NKS, combined with a density upwinding continuation strategy for problems with weak shocks, is robust and, economical for this class of mixed elliptic-hyperbolic nonlinear partial differential equations, with proper specification of several parameters. We study upwinding parameters, inner convergence tolerance, coarse grid density, subdomain overlap, and the level of fill-in in the incomplete factorization, and report their effect on numerical convergence rate, overall execution time, and parallel efficiency on a distributed-memory parallel computer.

Cai, Xiao-Chuan↗

NASA NTRS1980

Thermal Pollution Mathematical Model. Volume 3: User's Manual for One-Dimensional Numerical Model for the Seasonal Thermocline

A user's manual for a one dimensional thermal model to predict the temperature profiles of a deep body of water for any number of annual cycles is presented. The model is essentially a set of partial differential equations which are solved by finite difference methods using a high speed digital computer. The model features the effects of area change with depth, nonlinear interaction of wind generated turbulence and buoyancy, adsorption of radiative heat flux below the surface, thermal discharges, and the effects of vertical convection caused by discharge. The main assumption in the formulation is horizontal homogeneity. The environmental impact of thermal discharges from power plants is emphasized. Although the model is applicable to most lakes, a specific site (Lake Keowee, S.C.) application is described in detail. The programs are written in FORTRAN 5.

Lee, S. S.↗

NASA NTRS1979

Analysis of turbulent free-jet hydrogen-air diffusion flames with finite chemical reaction rates

A numerical analysis is presented of the nonequilibrium flow field resulting from the turbulent mixing and combustion of an axisymmetric hydrogen jet in a supersonic parallel ambient air stream. The effective turbulent transport properties are determined by means of a two-equation model of turbulence. The finite-rate chemistry model considers eight elementary reactions among six chemical species: H, O, H2O, OH, O2 and H2. The governing set of nonlinear partial differential equations was solved by using an implicit finite-difference procedure. Radial distributions were obtained at two downstream locations for some important variables affecting the flow development, such as the turbulent kinetic energy and its dissipation rate. The results show that these variables attain their peak values on the axis of symmetry. The computed distribution of velocity, temperature, and mass fractions of the chemical species gives a complete description of the flow field. The numerical predictions were compared with two sets of experimental data. Good qualitative agreement was obtained.

Sislian, J. P.↗

DOE OSTI2021

Bayesian Poroelastic Aquifer Characterization From InSAR Surface Deformation Data. 2. Quantifying the Uncertainty

Uncertainty quantification of groundwater (GW) aquifer parameters is critical for efficient management and sustainable extraction of GW resources. These uncertainties are introduced by the data, model, and prior information on the parameters. We develop a Bayesian inversion framework that uses Interferometric Synthetic Aperture Radar (InSAR) surface deformation data to infer the laterally heterogeneous permeability of a transient linear poroelastic model of a confined GW aquifer. The Bayesian solution of this inverse problem takes the form of a posterior probability density of the permeability. Exploring this posterior using classical Markov chain Monte Carlo (MCMC) methods is computationally prohibitive due to the large dimension of the discretized permeability field and the expense of solving the poroelastic forward problem. However, in many partial differential equation (PDE)-based Bayesian inversion problems, the data are only informative in a few directions in parameter space. For the poroelasticity problem, we prove this property theoretically for a one-dimensional problem and demonstrate it numerically for a three-dimensional aquifer model. Here we design a generalized preconditioned Crank-Nicolson (gpCN) MCMC method that exploits this intrinsic low dimensionality by using a low-rank-based Laplace approximation of the posterior as a proposal, which we build scalably. The feasibility of our approach is demonstrated through a real GW aquifer test in Nevada. The inherently two-dimensional nature of InSAR surface deformation data informs a sufficient number of modes of the permeability field to allow detection of major structures within the aquifer, significantly reducing the uncertainty in the pressure and the displacement quantities of interest.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Exponential Time Differencing Schemes for Fuel Depletion and Transport in Molten Salt Reactors: Theory and Implementation

A numerical framework for modeling depletion and mass transport in liquid-fueled molten salt reactions is presented based on exponential time differencing. The solution method involves using the finite volume method to transform the system of partial differential equations (PDEs) into a much larger system of ordinary differential equations. The key part of this method involves solving for the exponential of a matrix. We explore six different algorithms to compute the exponential in a series of progression problems that explore physical transport phenomena in molten salt reactors. This framework shows good results for solving linear parabolic PDEs with each of the six matrix exponential algorithms. For large problems, the series solvers such as Padé and Taylor have large run times, which can be mitigated by using the Krylov subspace.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

EBS Task Force: Task 9/FEBEX Modeling Final Report: Thermo-Hydrological Modeling with PFLOTRAN

This report outlines Sandia National Laboratories modeling studies applied to Stage 1 and Stage 2 of the Full-scale Engineered Barriers Experiment in Crystalline Host Rock (FEBEX) in situ test for the SKB EBS Task Force Task 9. The FEBEX test was a full-scale test conducted over ~18 years at the Grimsel, Switzerland Underground Research Laboratory (URL) managed by NAGRA. It involved emplacing simulated waste packages, in the form of welded cylindrical heaters, inside a tunnel in crystalline granitic rock and surrounded by a bentonite barrier and cement plug. Sensors emplaced within the bentonite monitored the wetting-up, heating, and drying out of the bentonite barrier, and the large resulting data set provides an excellent opportunity for validation of multiphysics Thermal-Hydrological (TH), Thermal-Hydrologic-Chemical (THC), and Thermal-Hydrological-Mechanical (THM) modeling approaches for underground nuclear waste storage and the performance of engineered bentonite barriers. The present status of the EBS Task Force is finalizing Task 9, which follows years of modeling studies of the FEBEX test, by many notable modeling teams (Gens et al., 2009; Sanchez et al. 2010; 2012; Samper et al., 2018). These modeling studies generally use two-dimensional axisymmetric meshes, ignoring threedimensional effects, gravity and asymmetric wetting and dry out of the bentonite engineered barrier. This study investigates these effects with use of the PFLOTRAN THC code with massively parallel computational methods in modeling FEBEX Stage 1 and Stage 2 results. The PFLOTRAN numerical code is an open source, state-of-the-art, massively parallel subsurface flow and reactive transport code operating in a high-performance computing environment (Hammond et al., 2014). Section 2 describes the applied partial differential equations describing mass, momentum and energy balance used in this study, considerations derived by assuming phase equilibrium between gas and liquid phases, constitutive equations for granite, cement plug, and bentonite domains, and specific approaches for use inthe PFLOTRAN code. Section 3 describes the geometry, meshing, and model set-up. Section 4 describes modeling results, Section 5 compares modeling results to field testing data, and Section 6 gives conclusions. The Appendix provides detailed information required by the EBSTask Force for final reporting.

42 ENGINEERING↗

NASA NTRS1982

Compressibility effects in turbulence modeling

Numerical turbulence modeling is discussed with attention given to fluid property variations caused by compressibility in an adiabatic flow. The models are considered in terms of integral quantities expressed by ordinary differential equations and by those formulated as partial differential equations. Compressibility corrections for both integral and partial differential methods are reviewed. Eddy-viscosity models are explored for their capability to characterize the mass-weighted Reynolds stress, which can be accounted for with primitive and/or mass-weighted variables. Compressible flow simulations are currently constrained to low Re and zero mean dilation. The effects of compressibility are defined in wave number space by resolving the Fourier transforms of the velocity vectors into components which are perpendicular and parallel to the wave number vector. Statistical correlations then permit obtaining a value for each contribution.

Rubesin, M. W.↗

NASA NTRS1988

Non-oscillatory spectral Fourier methods for shock wave calculations

A non-oscillatory spectral Fourier method is presented for the solution of hyperbolic partial differential equations. The method is based on adding a nonsmooth function to the trigonometric polynomials which are the usual basis functions for the Fourier method. The high accuracy away from the shock is enhanced by using filters. Numerical results confirm that no oscillations develop in the solution. Also, the accuracy of the spectral solution of the inviscid Burgers equation is shown to be higher than a fixed order.

Cai, Wei↗

NASA NTRS1992

Comparison of level-1 and level-2 buckling and postbuckling solutions

The accuracy of the solutions obtained with the Level-1 computational modules of DISDECO (Delft Interactive Shell Design Code) are investigated by comparing them with solutions obtained with ANILISA, a Level-2 computational module. Whereas the Level-1 solutions are based on the use of trigonometric functions to represent the out-of-plane displacement W and involve Galerkin type approximations to reduce the governing partial differential equations to simple algebraic expressions, the Level-2 solutions employ a truncated Fourier expansion in the circumferential direction and solve the resulting ordinary differential equations forming a nonlinear eigenvalue problem by a Stodola like technique. This involves the numerical integration of the set of ordinary differential equations, which in turn makes it possible to satisfy the specified boundary conditions exactly. It is shown that in many applications the Level-1 predictions concerning the critical buckling load of the perfect structure and its imperfection sensitivity are quite accurate and reliable. For those cases where this is not true, it is shown how the pre and postprocessing facilities of DISDECO can be used efficiently to arrive at a reliable prediction. This involves always the use of the Level-2 computational module ANILISA with its rigorous prebuckling solution and its feature which makes it possible to satisfy the specified boundary conditions exactly.

Arbocz, J.↗

DOE OSTI2024

A High-Order Eulerian–Lagrangian Runge–Kutta Finite Volume (EL–RK–FV) Method for Scalar Nonlinear Conservation Laws

Abstract We present a class of high-order Eulerian–Lagrangian Runge–Kutta finite volume methods that can numerically solve Burgers’ equation with shock formations, which could be extended to general scalar conservation laws. Eulerian–Lagrangian (EL) and semi-Lagrangian (SL) methods have recently seen increased development and have become a staple for allowing large time-stepping sizes. Yet, maintaining relatively large time-stepping sizes post shock formation remains quite challenging. Our proposed scheme integrates the partial differential equation on a space-time region partitioned by linear approximations to the characteristics determined by the Rankine–Hugoniot jump condition. We trace the characteristics forward in time and present a merging procedure for the mesh cells to handle intersecting characteristics due to shocks. Following this partitioning, we write the equation in a time-differential form and evolve with Runge–Kutta methods in a method-of-lines fashion. High-resolution methods such as ENO and WENO-AO schemes are used for spatial reconstruction. Extension to higher dimensions is done via dimensional splitting. Numerical experiments demonstrate our scheme’s high-order accuracy and ability to sharply capture post-shock solutions with large time-stepping sizes.

Chen, Jiajie↗

DOE OSTI2021

On the eigenvector bias of Fourier feature networks: From regression to solving multi-scale PDEs with physics-informed neural networks

Physics-informed neural networks (PINNs) are demonstrating remarkable promise in integrating physical models with gappy and noisy observational data, but they still struggle in cases where the target functions to be approximated exhibit high-frequency or multi-scale features. Here in this work we investigate this limitation through the lens of Neural Tangent Kernel (NTK) theory and elucidate how PINNs are biased towards learning functions along the dominant eigen-directions of their limiting NTK. Using this observation, we construct novel architectures that employ spatio-temporal and multi-scale random Fourier features, and justify how such coordinate embedding layers can lead to robust and accurate PINN models. Numerical examples are presented for several challenging cases where conventional PINN models fail, including wave propagation and reaction–diffusion dynamics, illustrating how the proposed methods can be used to effectively tackle both forward and inverse problems involving partial differential equations with multi-scale behavior.

42 ENGINEERING↗