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At least 199 records · Page 11

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NASA NTRS1980

Computational strategy for the solution of large strain nonlinear problems using the Wilkins explicit finite-difference approach

The STEALTH code system, which solves large strain, nonlinear continuum mechanics problems, was rigorously structured in both overall design and programming standards. The design is based on the theoretical elements of analysis while the programming standards attempt to establish a parallelism between physical theory, programming structure, and documentation. These features have made it easy to maintain, modify, and transport the codes. It has also guaranteed users a high level of quality control and quality assurance.

Hofmann, R.↗

NASA NTRS1993

Application of an unstructured grid flow solver to planes, trains and automobiles

Rampant, an unstructured flow solver developed at Fluent Inc., is used to compute three-dimensional, viscous, turbulent, compressible flow fields within complex solution domains. Rampant is an explicit, finite-volume flow solver capable of computing flow fields using either triangular (2d) or tetrahedral (3d) unstructured grids. Local time stepping, implicit residual smoothing, and multigrid techniques are used to accelerate the convergence of the explicit scheme. The paper describes the Rampant flow solver and presents flow field solutions about a plane, train, and automobile.

Spragle, Gregory S.↗

DOE OSTI2021

Numerical analyses of exponential time-differencing schemes for the solution of atmospheric models

In high-resolution numerical weather prediction models, fast-moving acoustic waves must be treated in a stable manner. Among the implicit–explicit (IMEX) schemes used for the solution of these models, horizontally explicit, vertically implicit (HEVI) methods show good stability and scalability on massively parallel machines. In this work, we present two classes of exponential time-differencing (ETD) methods for atmospheric models that use a HEVI splitting strategy, one being a three-stage method with the addition of artificial diffusion, the second based on a Strang splitting approach. Overall, the stability properties of the methods are analyzed and numerical examples are provided, which compare time-step restrictions and cost-to-accuracy ratios of the new methods with those for existing approaches.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Mixing Cell Model: A One-Dimensional Numerical Model for Assessment of Water Flow and Contaminant Transport in the Unsaturated Zone

This report describes the Mixing Cell Model code, a one dimensional model for water flow and solute transport in the unsaturated zone under steady state or transient flow conditions. The model is based on the principles and assumptions underlying mixing-cell model formulations. The unsaturated zone is discretized into a series of independent mixing cells. Each cell may have unique hydrologic, lithologic, and sorptive properties. Ordinary differential equations describe the material (water and solute) balance within each cell. Water-flow equations are derived from the continuity equation, assuming that unit gradient conditions exist at all times in each cell. Pressure gradients are considered implicitly through model discretization. Unsaturated hydraulic conductivity and moisture contents are determined by the material specific moisture-characteristic curves. Solute-transport processes include explicit treatment of advective processes, first order chain decay, and linear sorption reactions. Dispersion is addressed through implicit and explicit dispersion. Implicit dispersion is an inherent feature of all mixing-cell models and originates from the formulation of the problem in terms of mass balance around fully mixed volume elements. Expressions are provided that relate implicit dispersion to the physical dispersion of the system. Two FORTRAN codes were developed to solve the water flow and solute-transport equations: (1) the Mixing Cell Model for Flow (MCMF) solves transient water-flow problems and (2) the Mixing Cell Model for Transport (MCMT) solves the solute-transport problem. The transient water-flow problem is typically solved first by estimating the water flux through each cell in the model domain as a function of time using the MCMF code. These data are stored in either ASCII or binary files that are later read by the solute transport code (MCMT). Code output includes solute pore water concentrations, water and solute inventories in each cell and at each specified output time, and water and solute fluxes through each cell and specified output time. Computer run times for coupled transient water flow and solute transport were typically several seconds on a 2 GHz Intel Pentium IV desktop computer. The model was benchmarked against analytical solutions and finite element approximations to the partial differential equations (PDE) describing unsaturated flow and transport. Differences between the maximum solute flux estimated by the mixing cell model and the PDE models were typically less than two percent. This revision includes an option for a fixed concentration lower boundary condition for diffusive fluxes for versions 020321 and later.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1979

Adjacency effects on imaging by surface reflection and atmospheric scattering - Cross radiance to zenith

The paper discusses an analytical solution for the nadir radiance as measured from a satellite, based on a simplified single-scattering approximation in which the scattered radiation is not subject to extinction. In the solution, terms can be identified as due to a reflection from the vicinity of the object pixel, and respectively, (1) upward scattering to zenith above the object pixel (cross radiance), and (2) downward scattering from the entire atmosphere to the object pixel (cross irradiance). It is shown that the cross radiance is proportional to the forward scattering optical thickness, as defined, and the cross irradiance to the backscattering optical thickness. In addition, explicit expressions and computer solutions for the cross radiance from annular or from rectangular reflecting areas are presented. It is concluded that the effect depends on the height distribution and on the sharpness of the forward peak of the scattering particles.

Otterman, J.↗

NASA NTRS1990

Linear iterative solvers for implicit ODE methods

The numerical solution of stiff initial value problems, which lead to the problem of solving large systems of mildly nonlinear equations are considered. For many problems derived from engineering and science, a solution is possible only with methods derived from iterative linear equation solvers. A common approach to solving the nonlinear equations is to employ an approximate solution obtained from an explicit method. The error is examined to determine how it is distributed among the stiff and non-stiff components, which bears on the choice of an iterative method. The conclusion is that error is (roughly) uniformly distributed, a fact that suggests the Chebyshev method (and the accompanying Manteuffel adaptive parameter algorithm). This method is described, also commenting on Richardson's method and its advantages for large problems. Richardson's method and the Chebyshev method with the Mantueffel algorithm are applied to the solution of the nonlinear equations by Newton's method.

Saylor, Paul E.↗

NASA NTRS1995

Analysis of composite ablators using massively parallel computation

In this work, the feasibility of using massively parallel computation to study the response of ablative materials is investigated. Explicit and implicit finite difference methods are used on a massively parallel computer, the Thinking Machines CM-5. The governing equations are a set of nonlinear partial differential equations. The governing equations are developed for three sample problems: (1) transpiration cooling, (2) ablative composite plate, and (3) restrained thermal growth testing. The transpiration cooling problem is solved using a solution scheme based solely on the explicit finite difference method. The results are compared with available analytical steady-state through-thickness temperature and pressure distributions and good agreement between the numerical and analytical solutions is found. It is also found that a solution scheme based on the explicit finite difference method has the following advantages: incorporates complex physics easily, results in a simple algorithm, and is easily parallelizable. However, a solution scheme of this kind needs very small time steps to maintain stability. A solution scheme based on the implicit finite difference method has the advantage that it does not require very small times steps to maintain stability. However, this kind of solution scheme has the disadvantages that complex physics cannot be easily incorporated into the algorithm and that the solution scheme is difficult to parallelize. A hybrid solution scheme is then developed to combine the strengths of the explicit and implicit finite difference methods and minimize their weaknesses. This is achieved by identifying the critical time scale associated with the governing equations and applying the appropriate finite difference method according to this critical time scale. The hybrid solution scheme is then applied to the ablative composite plate and restrained thermal growth problems. The gas storage term is included in the explicit pressure calculation of both problems. Results from ablative composite plate problems are compared with previous numerical results which did not include the gas storage term. It is found that the through-thickness temperature distribution is not affected much by the gas storage term. However, the through-thickness pressure and stress distributions, and the extent of chemical reactions are different from the previous numerical results. Two types of chemical reaction models are used in the restrained thermal growth testing problem: (1) pressure-independent Arrhenius type rate equations and (2) pressure-dependent Arrhenius type rate equations. The numerical results are compared to experimental results and the pressure-dependent model is able to capture the trend better than the pressure-independent one. Finally, a performance study is done on the hybrid algorithm using the ablative composite plate problem. It is found that there is a good speedup of performance on the CM-5. For 32 CPU's, the speedup of performance is 20. The efficiency of the algorithm is found to be a function of the size and execution time of a given problem and the effective parallelization of the algorithm. It also seems that there is an optimum number of CPU's to use for a given problem.

Shia, David↗

NASA NTRS1987

Finite element methods of analysis for high speed viscous flows

Over the past three years a finite element based procedure for the solution of high speed viscous compressible flows was developed. The approach followed was to compute steady state solutions via a false transient, using an explicit time stepping scheme, and to attempt to improve the solution quality by incorporating adaptive mesh procedures. The main thrust of the work was to continue on the extension of the approach to the solution of some realistic compressible viscous flows. When flows at high Reynolds number are investigated, is soon becomes apparent that explicit techniwues have to be supplemented if they are to deal effectively with the large variations in element size and aspect ratio which characterize the computational grids necessary for adequate resolutin of the primary flow features. For this reason, the Taylor-Galerkin solution algorithm was rewritten in an explicit/implicit form. Solutions were computed for the problems of a flow past a flat plate, M-3, Re-100; shock/boundary layer interaction, M-2, Re-296000; flow over a compression corner, M-11.68, Re246000; and unifrom flow past a circular cylinder, M-6.34, Re-39770. A summary of the results is included and demonstrates the numerical performance of the scheme.

Source record↗

NASA NTRS1993

Nongray gas analyses for reflecting walls utilizing a flux technique

A flux formulation for a planar slab of molecular gas radiation bounded by diffuse reflecting walls is developed. While this formulation is limited to the planar geometry, it is useful for studying approximations necessary in modeling nongray radiative heat transfer. The governing equations are derived by considering the history of multiple reflections between the walls. Accurate solutions are obtained by explicitly accounting for a finite number of reflections and approximating the spectral effects of the remaining reflections. Four approximate methods are presented and compared using a single absorption band of H2O. All four methods reduce to an identical zeroth-order formulation, which accounts for all reflections approximately but does handle nonreflected radiation correctly. A single absorption band of CO2 is also considered using the best-behaved approximation for higher orders. A zeroth-order formulation is sufficient to predict the radiative transfer accurately for many cases considered. For highly reflecting walls, higher order solutions are necessary for better accuracy. Including all the important bands of H2O, the radiative source distributions are also obtained for two different temperature and concentration profiles.

Menart, J. A.↗

NASA NTRS1992

Error analysis applied to several inversion techniques used for the retrieval of middle atmospheric constituents from limb-scanning MM-wave spectroscopic measurements

The formal retrieval error analysis of Rodgers (1990) allows the quantitative determination of such retrieval properties as measurement error sensitivity, resolution, and inversion bias. This technique was applied to five numerical inversion techniques and two nonlinear iterative techniques used for the retrieval of middle atmospheric constituent concentrations from limb-scanning millimeter-wave spectroscopic measurements. It is found that the iterative methods have better vertical resolution, but are slightly more sensitive to measurement error than constrained matrix methods. The iterative methods converge to the exact solution, whereas two of the matrix methods under consideration have an explicit constraint, the sensitivity of the solution to the a priori profile. Tradeoffs of these retrieval characteristics are presented.

Puliafito, E.↗

DOE OSTI2020

The Role of the Solvent in the Condensed-Phase Dynamics and Identity of Chemical Bonds: The Case of the Sodium Dimer Cation in THF

When a solute molecule is placed in solution, is it acceptable to presume that its electronic structure is essentially the same as in the gas phase? In this paper, we address this question from a simulation perspective for the case of the sodium dimer cation (Na 2 + ) molecule in both liquid Ar and liquid tetrahydrofuran (THF). In previous work, we showed that when local specific interactions between a solute and solvent are energetically on the order of a hydrogen bond, the solvent can become part of the chemical identity of the solute. Here, using mixed quantum/classical molecular dynamics simulations, we see that for the Na 2 + molecule, solute--solvent interactions lead to two stable, chemically-distinct coordination states (Na(THF) 4 -Na(THF) 5 + and Na(THF) 5 -Na(THF) 5 + ) that are not only stable themselves as gas-phase molecules but that also have a completely new electronic structure with important implications for the excited-state photodissociation of this molecule in the condensed phase. Furthermore, we show through a set of comparative classical simulations that treating the solute's bonding electron explicitly quantum mechanically is necessary to understand both the ground-state dynamics and chemical identity of this simple diatomic molecule; even use of the quantum-derived potential of mean force is insufficient to describe the behavior of the molecule classically. Lastly, we calculate the results of a proposed transient hole-burning experiment that could be used to spectroscopically disentangle the presence of the different coordination states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Dynamical Symmetry and the Thermofield State at Large N

We discuss thermofield double QFT at real time, in the large N limit. First, we establish a (dynamical) symmetry, which we argue holds in general for the real-time portion of the Schwinger–Kelydish contour. At large N, this symmetry is seen to generate a one-parameter degeneracy of stationary collective solutions. The construction is explicitly worked out on an example of the O(N) vector QFT. As a nontrivial application, we describe the construction of the corresponding (large N) thermofield double state in real-time collective formalism.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

Reduction of truncation errors in modal analysis

A condensation method and computer program are described for large discrete parameter vibration analysis of complex structures that greatly reduces truncation errors and provides accurate definition of modes in a selected frequency range. A dynamic transformation is obtained from the partitioned equations of motion that relates modes not explicitly in the condensed solution to the retained modes at a selected system frequency. The generalized mass and stiffness matrices, obtained with existing modal synthesis methods, are reduced using this transformation and solved. Revised solutions are then obtained using new transformations at the calculated eigenvalues and are also used to assess the accuracy of the results. Computations are made tractable by simplified forms of the transformation that result with various modal synthesis methods. Three examples using the dynamic transformation in conjunction with a General Electric stiffness coupling method and the method of Craig and Bampton indicate large reductions in truncation errors and demonstrate the method for sequential groups of modes.

Kuhar, E. J.↗

NASA NTRS1973

A highly stable explicit integration technique for computational continuum mechanics

A user-oriented subroutine package is built around a highly stable explicit integration algorithm for solution of large order systems of ordinary differential equations, as result from discretization of initial-boundary value problems in continuum mechanics. Fast and accurate solutions, for problems in laminar and turbulent, two and three-dimensional viscous flow fields and multi-dimensional transient heat transfer, are presented using this algorithm, as embodied within a general purpose finite element computer program.

Baker, A. J.↗

NASA NTRS1979

Development of analytical orbit propagation technique with drag

Two orbit computation methods were used: (1) numerical method- The solution to the satellite differential equations were solved in a step-by-step manner, using a mathematical algorithm taken from numerical analysis; and (2) analytical method - The solution was expressed by explicit functions of the independent variable. Analytical drag modules, tesseral terms initialization module, second order and long period terms module, and verification testing of the ASOP program were also considered.

Source record↗

NASA NTRS1985

Finite element methods for high speed flows

An explicit finite element based solution procedure for solving the equations of compressible viscous high speed flow is presented. The method uses domain splitting to advance the solution with different timesteps on different portions of the mesh. For steady inviscid flows, adaptive mesh refinement procedures are successfully employed to enhance the definition of discontinuities. Preliminary ideas on the application of adaptive mesh refinement to the solution of problems involving steady viscous flow are presented. Sample timings are given for the performance of the finite element code on modern supercomputers.

Loehner, R.↗

NASA NTRS1986

Unstructured multigrid methods for the compressible Euler equations

A two-step explicit finite element based solution procedure for the compressible Euler equations is described. Convergence to steady state can be accelerated by using a multigrid technique. The geometric flexibility of the finite element method is retained by using a sequence of unnested grids. The viability of this approach is demonstrated for elliptic problems and initial experiences with the technique applied to the Euler equations are reported.

Loehner, R.↗

NASA NTRS1986

The calculation of supersonic viscous flows using the parabolized Navier-Stokes equations

Solution of the parabolic Navier-Stokes (PNS) equations for supersonic flows is discussed, and compatibility of the PNS method with the triple-deck theory of Stewartson (1974) is demonstrated. Characteristic and stability analyses show that use of an appropriate filter on the pressure term in the x-momentum equation can suppress the departure solutions, giving the usual desired weak interaction solution. An Alternating Direction Explicit procedure, with minimal computer storage requirements compared to the full Navier-Stokes solvers, is proposed to calculate strongly interacting flows using a global iteration procedure for the PNS equations. The PNS equations are used to solve the hypersonic viscous interaction problem, and good agreement is found with experimental results.

Davis, R. T.↗