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NASA NTRS1987

Time-dependent approximation schemes for some problems of parameter estimation in distributed systems

A parameter estimation method that can be used to estimate functional parameters in delay differential equations and moving boundary problems is discussed. In either problem, the original model equation (which is infinite-dimensional) is approximated by a system of ordinary differential equations that can be solved numerically in an efficient way. The approximation scheme is based on time-dependent spline elements. For the delay equation with time-varying delay, convergence results are presented that indicate the estimates obtained using the approximating system. Numerical test examples converge in some sense to a best-fit parameter for the original system are included by means of which time-varying and state-dependent delays and a time-varying diffusion coefficient in a one-phase, one-dimensional Stefan problem are estimated.

Murphy, K. A.↗

NASA NTRS1987

Smoothing and the second law

The technique of obtaining second-order oscillation-free total -variation-diminishing (TVD), scalar difference schemes by adding a limited diffusive flux ('smoothing') to a second-order centered scheme is explored. It is shown that such schemes do not always converge to the correct physical answer. The approach presented here is to construct schemes that numerically satisfy the second law of thermodynamics on a cell-by-cell basis. Such schemes can only converge to the correct physical solution and in some cases can be shown to be TVD. An explicit scheme with this property and second-order spatial accuracy was found to have extremely restrictive time-step limitation. Switching to an implicit scheme removed the time-step limitation.

Merriam, Marshal L.↗

NASA NTRS1989

Boundary shape identification problems in two-dimensional domains related to thermal testing of materials

The identification of the geometrical structure of the system boundary for a two-dimensional diffusion system is reported. The domain identification problem treated here is converted into an optimization problem based on a fit-to-data criterion and theoretical convergence results for approximate identification techniques are discussed. Ressults of numerical experiments to demonstrate the efficacy of the theoretical ideas are reported.

Banks, H. T.↗

NASA NTRS1950

Two-dimensional symmetrical inlets with external compression

The purpose of inlets like, for instance, those of air-cooled radiators and scoops is to take a certain air quantity out of the free stream and to partly convert the free-stream velocity into pressure. In the extreme case this pressure conversion may occur either entirely in the interior of the inlet (inlet with internal compression) or entirely in the free stream ahead of the inlet (inlet with external compression). In this report a theory for two-dimensional inlets with external compression is developed and illustrated by numerical examples. Intermediary forms between inlets with internal and external compression which can be derived from the latter are briefly discussed.

FLOW - DIFFUSERS↗

DOE OSTI2021

Fast multiscale contrast independent preconditioners for linear elastic topology optimization problems

The goal of this work is to present a fast and viable approach for the numerical solution of the high-contrast state problems arising in topology optimization. The optimization process is iterative, and the gradients are obtained by an adjoint analysis, which requires the numerical solution of large high-contrast linear elastic problems with features spanning several length scales. The size of the discretized problems forces the utilization of iterative linear solvers with solution time dependent on the quality of the preconditioner. The lack of clear separation between the scales, as well as the high-contrast, imposes severe challenges on the standard preconditioning techniques. Thus, here we propose new methods for the high-contrast elasticity equation with performance independent of the high-contrast and the multi-scale structure of the elasticity problem. The solvers are based on two-levels domain decomposition techniques with a carefully constructed coarse level to deal with the high-contrast and multi-scale nature of the problem. The construction utilizes spectral equivalence between scalar diffusion and each displacement block of the elasticity problems and, in contrast to previous solutions proposed in the literature, is able to select the appropriate dimension of the coarse space automatically. The new methods inherit the advantages of domain decomposition techniques, such as easy parallelization and scalability. Finally, the presented numerical experiments demonstrate the excellent performance of the proposed methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

U-rich U-Mo Solidus, Liquidus, Enthalpy, and Thermal Diffusivity

Several material properties have been studied as a function of composition as part of the USHPRR effort to use U-10Mo for LEU monolithic fuel foils, with special attention to areas where simulation outcomes can be improved. The liquidus and solidus phase boundaries are important for engineering design of processing parameters and for predicting the degree of microsegregation within initial castings. The numerous phase diagram constructions available in the literature differ significantly in their solid/liquid boundary definitions, therefore, an experimental strategy was employed in order to resolve some of the discord. That strategy focuses not on proving any singular point, but instead to provide data with highly characterized uncertainty. The data presented here is the most consistent with the U-rich liquidus and solidus boundaries provided by H. Okamoto (2012), Berche et al. (2011), and Mardon et al. (1959). The recently suggested change in the peritectic reaction temperature (to 1302 K) suggested by Berchè and adopted by Okamoto is also supported, but with lower confidence. The enthalpy of fusion is a basic characteristic of the solidification reaction property for which is required for both research-oriented predictions of behavior and development of applied design strategies for casting engineering. It has been determined that an admixture model for the heat of fusion between U BCC and Mo BCC is a reasonable assumption within the composition region of interest, though limitations of the measurement accuracy impacts the ability to support any trends more detailed than this baseline behavior. A limited number of thermal diffusivity measurements were also performed into the gamma region to provide additional information for solidification modeling and simulations as well as a check on the component properties of thermal conductivity, density, and heat capacity.

36 MATERIALS SCIENCE↗

DOE OSTI2018

A meshless Galerkin method for non-local diffusion using localized kernel bases

Here, we introduce a meshless method for solving both continuous and discrete variational formulations of a volume constrained, nonlocal diffusion problem. We use the discrete solution to approximate the continuous solution. Our method is nonconforming and uses a localized Lagrange basis that is constructed out of radial basis functions. By verifying that certain inf-sup conditions hold, we demonstrate that both the continuous and discrete problems are well-posed, and also present numerical and theoretical results for the convergence behavior of the method. The stiffness matrix is assembled by a special quadrature routine unique to the localized basis. Combining the quadrature method with the localized basis produces a well-conditioned, symmetric matrix. This then is used to find the discretized solution.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1995

Coupled Monte Carlo Probability Density Function/ SPRAY/CFD Code Developed for Modeling Gas-Turbine Combustor Flows

The success of any solution methodology for studying gas-turbine combustor flows depends a great deal on how well it can model various complex, rate-controlling processes associated with turbulent transport, mixing, chemical kinetics, evaporation and spreading rates of the spray, convective and radiative heat transfer, and other phenomena. These phenomena often strongly interact with each other at disparate time and length scales. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and evaporation in many practical combustion devices. Turbulence manifests its influence in a diffusion flame in several forms depending on how turbulence interacts with various flame scales. These forms range from the so-called wrinkled, or stretched, flamelets regime, to the distributed combustion regime. Conventional turbulence closure models have difficulty in treating highly nonlinear reaction rates. A solution procedure based on the joint composition probability density function (PDF) approach holds the promise of modeling various important combustion phenomena relevant to practical combustion devices such as extinction, blowoff limits, and emissions predictions because it can handle the nonlinear chemical reaction rates without any approximation. In this approach, mean and turbulence gas-phase velocity fields are determined from a standard turbulence model; the joint composition field of species and enthalpy are determined from the solution of a modeled PDF transport equation; and a Lagrangian-based dilute spray model is used for the liquid-phase representation with appropriate consideration of the exchanges of mass, momentum, and energy between the two phases. The PDF transport equation is solved by a Monte Carlo method, and existing state-of-the-art numerical representations are used to solve the mean gasphase velocity and turbulence fields together with the liquid-phase equations. The joint composition PDF approach was extended in our previous work to the study of compressible reacting flows. The application of this method to several supersonic diffusion flames associated with scramjet combustor flow fields provided favorable comparisons with the available experimental data. A further extension of this approach to spray flames, three-dimensional computations, and parallel computing was reported in a recent paper. The recently developed PDF/SPRAY/computational fluid dynamics (CFD) module combines the novelty of the joint composition PDF approach with the ability to run on parallel architectures. This algorithm was implemented on the NASA Lewis Research Center's Cray T3D, a massively parallel computer with an aggregate of 64 processor elements. The calculation procedure was applied to predict the flow properties of both open and confined swirl-stabilized spray flames.

Source record↗

DOE OSTI2025

Direct Discontinuous Galerkin methods for the reacting multi-component flow equations

The Direct Discontinuous Galerkin (DDG (Liu and Yan, 2008)) method and a counterpart with Interface Correction (DDGIC (Danis and Yan, 2022)) are extended to compute diffusion terms that arise when solving the compressible multi-component flow equations in thermochemical nonequilibrium. Thermodynamic properties, transport properties, chemical reaction rates, and energy exchange terms are computed using Mutation++ (Scoggins et al., 2020). The DG method is applied on unstructured grids, where the accuracy and convergence rates can be sensitive to the numerical method chosen for parabolic terms. A method for determining the homogeneity tensor of the flow equations required for DDGIC is shown. The convergence properties of the DDG methods are studied and compared to the Interior Penalty (IP) method. A number of numerical experiments are conducted to assess the accuracy and performance of the method. The numerical results and convergence studies indicate that DDG and DDGIC provide accurate solutions and perform well for general flows in thermochemical nonequilibrium.

Diffusion↗

DOE OSTI2024

Cost-efficient finite-volume high-order schemes for compressible magnetohydrodynamics

We present an efficient dimension-by-dimension finite-volume method which solves the adiabatic magnetohydrodynamics equations at high discretization order, using the constrained-transport approach on Cartesian grids. Results are presented up to tenth order of accuracy. The algorithmic architecture of this method is very close to that of commonly employed second-order schemes: it requires only one reconstructed value per face for each computational cell, independently of the scheme's order. This property is highly beneficial for the numerical efficiency. It results from reusing the required values already available in neighboring grid cells, in contrast to standard algorithms that require a number of reconstructions and evaluations which increases with the scheme's order of accuracy. At a given resolution, these high-order schemes present significantly less numerical dissipation than commonly employed lower-order approaches. Thus, results of comparable accuracy are achievable at a substantially coarser resolution, yielding overall performance gains. We also present a way to include physical dissipative terms: viscosity, magnetic diffusivity and cooling functions, respecting the finite-volume and constrained-transport frameworks. Benefits of this method are shown through applications in turbulent flows.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Benchmarking Correlation-Consistent Basis Sets for Frequency-Dependent Polarizabilities with Multiresolution Analysis

This paper presents the first converged frequency-dependent HF polarizability results for general molecules, on a set of 89 closed-shell atoms and molecules. The solver employs multiresolution analysis (MRA) in a multiwavelet basis to compute both ground and response states to a guaranteed precision, which are validated against independent numerical grid calculations on atoms and linear molecules. The MRA ground-state energies and response properties are used to evaluate results in correlation-consistent basis sets up to 5Z augmented with either single or double diffuse functions and core-polarization functions. Systematic trends are revealed through consideration of chemical composition as well as the use of machine learning to cluster convergence trends, the latter suggesting the possibility of learning and correcting basis-set error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Experiments and Simulations on the Turbulent, Rarefaction Wave Driven Rayleigh–Taylor Instability

Experiments were performed to observe the growth of the turbulent, Rayleigh–Taylor unstable mixing layer generated between air and SF 6 , with an Atwood number of A=(ρ 2 –ρ 1 )/(ρ 2 +ρ 1 ) = 0.64, where ρ 1 and ρ 2 are the densities of air and SF 6 , respectively. A nonconstant acceleration with an average value of 2300g 0 , where g 0 is the acceleration due to gravity, was generated by interaction of the interface between the two gases with a rarefaction wave. Three-dimensional, multimode perturbations were generated on the diffuse interface, with a diffusion layer thickness of δ = 3.6 mm, using a membraneless vertical oscillation technique, and 20 experiments were performed to establish a statistical ensemble. The average perturbation from this ensemble was extracted and used as input for a numerical simulation using the Lawrence Livermore National Laboratory (LLNL) Miranda code. Good qualitative agreement between the experiment and simulation was observed, while quantitative agreement was best at early to intermediate times. Several methods were used to extract the turbulent growth constant α from experiments and simulations while accounting for time varying acceleration. Experimental, average bubble and spike asymptotic self-similar growth rate values range from α = 0.022 to α = 0.032 depending on the method used, and accounting for variable acceleration. Values found from the simulations range from α = 0.024 to α = 0.041. Here, the values of α measured in the experiments are lower than what are typically measured in the literature but are more in line with those found in recent simulations.

42 ENGINEERING↗

NASA NTRS1976

A study of efficiency in low resistivity silicon solar cells

A general device-analysis program has been utilized to study the efficiency of silicon solar cells. The analysis is applied to specific geometries of both n(+)-p and n(+)-p-p(+) solar cells, and involves a numerical solution of the basic transport and continuity equations. This approach allows solutions that are free of typical limiting assumptions involved in solving the device equations as well as solutions relating to lifetime, mobility variations, and diffused-region profiles. The analysis includes available empirical information on diffusion length, mobility, and lifetime as a function of doping, as well as a Gaussian profile for the diffused region. Results are presented which illustrate the limitations of efficiency as a function of doping. It is found that the maximum efficiencies for both types of cell converge at lower resistivities to around 16% with air-mass-zero radiation and a single-layer absorbing-SiO antireflecting film. It is also found that the minority-carrier lifetime, both in the n(+) surface and p-type bulk regions, presents serious limitations to conversion efficiency, particularly in the low-resistivity cells.

Dunbar, P. M.↗

NASA NTRS1982

Transient thermal stress problem for a circumferentially cracked hollow cylinder

The transient thermal stress problem for a hollow elasticity cylinder containing an internal circumferential edge crack is considered. It is assumed that the problem is axisymmetric with regard to the crack geometry and the loading, and that the inertia effects are negligible. The problem is solved for a cylinder which is suddenly cooled from inside. First the transient temperature and stress distributions in an uncracked cylinder are calculated. By using the equal and opposite of this thermal stress as the crack surface traction in the isothermal cylinder the crack problem is then solved and the stress intensity factor is calculated. The numerical results are obtained as a function of the Fourier number tD/b(2) representing the time for various inner-to-outer radius ratios and relative crack depths, where D and b are respectively the coefficient of diffusivity and the outer radius of the cylinder.

Nied, H. F.↗

NASA NTRS1983

Viscous, resistive MHD stability computed by spectral techniques

Expansions in Chebyshev polynomials are used to study the linear stability of one dimensional magnetohydrodynamic (MHD) quasi-equilibria, in the presence of finite resistivity and viscosity. The method is modeled on the one used by Orszag in accurate computation of solutions of the Orr-Sommerfeld equation. Two Reynolds like numbers involving Alfven speeds, length scales, kinematic viscosity, and magnetic diffusivity govern the stability boundaries, which are determined by the geometric mean of the two Reynolds like numbers. Marginal stability curves, growth rates versus Reynolds like numbers, and growth rates versus parallel wave numbers are exhibited. A numerical result which appears general is that instability was found to be associated with inflection points in the current profile, though no general analytical proof has emerged. It is possible that nonlinear subcritical three dimensional instabilities may exist, similar to those in Poiseuille and Couette flow.

Dahlburg, R. B.↗

NASA NTRS1986

On star formation in stellar systems. I - Photoionization effects in protoglobular clusters

The progressive ionization and subsequent dynamical evolution of nonhomogeneously distributed low-metal-abundance diffuse gas after star formation in globular clusters are investigated analytically, taking the gravitational acceleration due to the stars into account. The basic equations are derived; the underlying assumptions, input parameters, and solution methods are explained; and numerical results for three standard cases (ionization during star formation, ionization during expansion, and evolution resulting in a stable H II region at its equilibrium Stromgren radius) are presented in graphs and characterized in detail. The time scale of residual-gas loss in typical clusters is found to be about the same as the lifetime of a massive star on the main sequence.

Tenorio-Tagle, G.↗

NASA NTRS1988

The Galerkin/least-squares method for advective-diffusive equations

Galerkin/least-squares finite-element methods are presented for advective-diffusive equations. Galerkin/least-squares represents a conceptual simplification of streamline-upwind Petrov-Galerkin methods, and is in fact applicable to a wide variety of other problem types. A convergence analysis and error estimates are presented. Some numerical results for compressible Navier-Stokes flows are presented.

Hughes, T. J. R.↗

NASA NTRS1991

Development of BEM for ceramic composites

It is evident that for proper micromechanical analysis of ceramic composites, one needs to use a numerical method that is capable of idealizing the individual fibers or individual bundles of fibers embedded within a three-dimensional ceramic matrix. The analysis must be able to account for high stress or temperature gradients from diffusion of stress or temperature from the fiber to the ceramic matrix and allow for interaction between the fibers through the ceramic matrix. The analysis must be sophisticated enough to deal with the failure of fibers described by a series of increasingly sophisticated constitutive models. Finally, the analysis must deal with micromechanical modeling of the composite under nonlinear thermal and dynamic loading. This report details progress made towards the development of a boundary element code designed for the micromechanical studies of an advanced ceramic composite. Additional effort has been made in generalizing the implementation to allow the program to be applicable to real problems in the aerospace industry.

Henry, D. P.↗