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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

Finite element calculation of buoyancy-driven convection near a melt/solid phase boundary

Two iterative schemes based on the mixed finite element method are developed for analyzing steady natural convection in a melt adjacent to its solid phase. The simplest method decouples the calculation of the field variables and the shape of the melt/solid interface into two interlocked iterations that are performed successively. The second method uses Newton's iteration to solve simultaneously for both types of unknowns and has a quadratic convergence rate. Results for a model problem of melt and solid in a cylindrical ampoule show the Newton algorithm to be a factor of three more efficient.

Chang, C. J.↗

A parallelized elliptic solver for reacting flows

A modified Newton algorithm for the solution of nonlinear elliptic boundary value problems via finite discretization methods is presented. A serial implementation of this algorithm which has recently been applied successfully to the computation of an axisymmetric over-ventilated subsonic laminar methane-air jet diffusion flame is described. Parallel implementation issues and a complexity theory are presented. Included as well are actual performance data for model systems obtained on the Intel Hypercube and a discussion of its implications for modeling realistic systems.

Keyes, David E.↗

Maximum likelihood tuning of a vehicle motion filter

This paper describes the use of maximum likelihood parameter estimation unknown parameters appearing in a nonlinear vehicle motion filter. The filter uses the kinematic equations of motion of a rigid body in motion over a spherical earth. The nine states of the filter represent vehicle velocity, attitude, and position. The inputs to the filter are three components of translational acceleration and three components of angular rate. Measurements used to update states include air data, altitude, position, and attitude. Expressions are derived for the elements of filter matrices needed to use air data in a body-fixed frame with filter states expressed in a geographic frame. An expression for the likelihood functions of the data is given, along with accurate approximations for the function's gradient and Hessian with respect to unknown parameters. These are used by a numerical quasi-Newton algorithm for maximizing the likelihood function of the data in order to estimate the unknown parameters. The parameter estimation algorithm is useful for processing data from aircraft flight tests or for tuning inertial navigation systems.

Trankle, Thomas L.↗

CAD-Based Aerodynamic Design of Complex Configurations using a Cartesian Method

A modular framework for aerodynamic optimization of complex geometries is developed. By working directly with a parametric CAD system, complex-geometry models are modified nnd tessellated in an automatic fashion. The use of a component-based Cartesian method significantly reduces the demands on the CAD system, and also provides for robust and efficient flowfield analysis. The optimization is controlled using either a genetic or quasi-Newton algorithm. Parallel efficiency of the framework is maintained even when subject to limited CAD resources by dynamically re-allocating the processors of the flow solver. Overall, the resulting framework can explore designs incorporating large shape modifications and changes in topology.

Nemec, Marian↗

Globalized Newton-Krylov-Schwarz Algorithms and Software for Parallel Implicit CFD

Implicit solution methods are important in applications modeled by PDEs with disparate temporal and spatial scales. Because such applications require high resolution with reasonable turnaround, "routine" parallelization is essential. The pseudo-transient matrix-free Newton-Krylov-Schwarz (Psi-NKS) algorithmic framework is presented as an answer. We show that, for the classical problem of three-dimensional transonic Euler flow about an M6 wing, Psi-NKS can simultaneously deliver: globalized, asymptotically rapid convergence through adaptive pseudo- transient continuation and Newton's method-, reasonable parallelizability for an implicit method through deferred synchronization and favorable communication-to-computation scaling in the Krylov linear solver; and high per- processor performance through attention to distributed memory and cache locality, especially through the Schwarz preconditioner. Two discouraging features of Psi-NKS methods are their sensitivity to the coding of the underlying PDE discretization and the large number of parameters that must be selected to govern convergence. We therefore distill several recommendations from our experience and from our reading of the literature on various algorithmic components of Psi-NKS, and we describe a freely available, MPI-based portable parallel software implementation of the solver employed here.

Gropp, W. D.↗

Locally bound constrained Newton-Raphson solution algorithms

This paper develops strategies which enable the automatic adjustment of the constraint surfaces recently used to extend the range and numerical stability/efficiency of nonlinear finite-element equation solvers. In addition to handling kinematic and material induced nonlinearity, both pre- and postbuckling behavior can be treated. The scheme developed employs localized bounds on various hierarchical partitions of the field variables. These are used to resize, shape, and orient the global constraint surface, thereby enabling essentially automatic load/deflection incrementation. Due to the generality of the approach taken, it can be implemented in conjunction with constraints of arbitrary functional type. To benchmark the method, several numerical experiments are presented. These include problems involving kinematic and material nonlinearity, as well as, pre- and postbuckling characteristics.

Padovan, J.↗

Self adaptive solution strategies: Locally bound constrained Newton Raphson solution algorithms

A summary is given of strategies which enable the automatic adjustment of the constraint surfaces recently used to extend the range and numerical stability/efficiency of nonlinear finite element equation solvers. In addition to handling kinematic and material induced nonlinearity, both pre-and postbuckling behavior can be treated. The scheme employs localized bounds on various hierarchical partitions of the field variables. These are used to resize, shape, and orient the global constraint surface, thereby enabling essentially automatic load/deflection incrementation. Due to the generality of the approach taken, it can be implemented in conjunction with the constraints of an arbitrary functional type. To benchmark the method, several numerical experiments are presented. These include problems involving kinematic and material nonlinearity, as well as pre- and postbuckling characteristics. Also included is a list of papers published in the course of the work.

Padovan, Joe↗

Modeling Spectralon's Bidirectional Reflectance for In-Flight Calibration of Earth-Orbiting Sensors

This paper describes the results of a model inversion which was conducted using measured Spectralon BRDF data at several illumination angles. We can describe the bidirectional reflectance of the Spectralon and in paticular its slight anisotrophy with a physically-based model. The root mean square difference between the model and the observations is currently of the order of the noise in the data (+/-1%). It is expected that meaningful corrections to account for the anisotrophy of the Spectralon panels will be achieved in the next few years and will improve the calibration of the MISR instrument.

EOS↗

Hierarchical Network Partitioning for Solution of Potential-Driven, Steady-State Nonlinear Network Flow Equations

The solution of potential-driven steady-state flow in large networks is a task which manifests in various engineering applications, such as transport of natural gas or water through pipeline networks. The resultant system of nonlinear equations depends on the network topology, and in general, there is no numerical algorithm that offers guaranteed convergence to the solution (assuming a solution exists). Some methods offer guarantees in cases where the network topology satisfies certain assumptions, but these methods fail for larger networks. On the other hand, the Newton-Raphson algorithm offers a convergence guarantee if the starting point lies close to the (unknown) solution. It would be advantageous to compute the solution of the large nonlinear system through the solution of smaller nonlinear sub-systems wherein the solution algorithms (Newton-Raphson or otherwise) are more likely to succeed. Here, this letter proposes and describes such a procedure, a hierarchical network partitioning algorithm that enables the solution of large nonlinear systems corresponding to potential-driven steady-state network flow equations.

42 ENGINEERING↗

Advanced Newton methods for geodynamical models of Stokes flow with viscoplastic rheologies

Strain localization and resulting plasticity and failure play an important role in the evolution of the lithosphere. These phenomena are commonly modeled by Stokes flows with viscoplastic rheologies. The nonlinearities of these rheologies make the numerical solution of the resulting systems challenging, and iterative methods often converge slowly or not at all. Yet accurate solutions are critical for representing the physics. Moreover, for some rheology laws, aspects of solvability are still unknown. We study a basic but representative viscoplastic rheology law. The law involves a yield stress that is independent of the dynamic pressure, referred to as von Mises yield criterion. Two commonly used variants, perfect/ideal and composite viscoplasticity, are compared. We derive both variants from energy minimization principles, and we use this perspective to argue when solutions are unique. We propose a new stress-velocity Newton solution algorithm that treats the stress as an independent variable during the Newton linearization but requires solution only of Stokes systems that are of the usual velocity-pressure form. To study different solution algorithms, we implement 2-D and 3-D finite element discretizations, and we generate Stokes problems with up to 7 orders of magnitude viscosity contrasts, in which compression or tension results in significant nonlinear localization effects. Comparing the performance of the proposed Newton method with the standard Newton method and the Picard fixed-point method, we observe a significant reduction in the number of iterations and improved stability with respect to problem nonlinearity, mesh refinement, and the polynomial order of the discretization.

Rudi, Johann↗

A hybrid optimization algorithm to explore atomic configurations of TiO 2 nanoparticles

Here in this paper we present a hybrid algorithm comprised of differential evolution, coupled with the Broyden–Fletcher–Goldfarb–Shanno quasi-Newton optimization algorithm, for the purpose of identifying a broad range of (meta)stable Ti n O 2 n nanoparticles, as an example system, described by Buckingham interatomic potential. The potential and its gradient are modified to be piece-wise continuous to enable use of these continuous-domain, unconstrained algorithms, thereby improving compatibility. To measure computational effectiveness a regression on known structures is used. This approach defines effectiveness as the ability of an algorithm to produce a set of structures whose energy distribution follows the regression as the number of Ti n O 2n increases such that the shape of the distribution is consistent with the algorithm’s stated goals. Our calculation demonstrates that the hybrid algorithm finds global minimum configurations more effectively than the differential evolution algorithms, widely employed in the field of materials science. Specifically, the hybrid algorithm is shown to reproduce the global minimum energy structures reported in the literature up to n = 5, and retains good agreement with the regression up to n = 25. For 25 < n < 100, where literature structures are unavailable, the hybrid effectively obtains structures that are in lower energies per TiO 2 unit as the system size increases.

36 MATERIALS SCIENCE↗

Finite element simulation of temperature dependent free surface flows

The method of Engelman and Sani (1984) for a finite-element simulation of incompressible surface flows with a free and/or moving fluid interface, such as encountered in crystal growth and coating and polymer technology, is extended to temperature-dependent flows, including the effect of temperature-dependent surface tension. The basic algorithm of Saito and Scriven (1981) and Ruschak (1980) has been generalized and implemented in a robust and versatile finite-element code that can be employed with relative ease for the simulation of free-surface problems in complex geometries. As a result, the costly dependence on the Newton-Raphson algorithm has been eliminated by replacing it with a quasi-Newton iterative method, which nearly retains the superior convergence properties of the Newton-Raphson method.

Engelman, M. S.↗

A direct-adjoint approach for material point model calibration with application to plasticity

Here, this paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a single material point serve as constraints. The objective function quantifies the mismatch between the stress predicted by the model and corresponding experimental measurements. To improve calibration efficiency, a novel direct-adjoint approach is presented to compute the Hessian of the objective function, which enables the use of second-order optimization algorithms. Automatic differentiation is used for gradient and Hessian computations. Two numerical examples are employed to validate the Hessian matrices and to demonstrate that the Newton–Raphson algorithm consistently outperforms gradient-based algorithms such as L-BFGS-B.

36 MATERIALS SCIENCE↗

Iterative procedures for space shuttle main engine performance models

Performance models of the Space Shuttle Main Engine (SSME) contain iterative strategies for determining approximate solutions to nonlinear equations reflecting fundamental mass, energy, and pressure balances within engine flow systems. Both univariate and multivariate Newton-Raphson algorithms are employed in the current version of the engine Test Information Program (TIP). Computational efficiency and reliability of these procedures is examined. A modified trust region form of the multivariate Newton-Raphson method is implemented and shown to be superior for off nominal engine performance predictions. A heuristic form of Broyden's Rank One method is also tested and favorable results based on this algorithm are presented.

Santi, L. Michael↗

A superlinear interior points algorithm for engineering design optimization

We present a quasi-Newton interior points algorithm for nonlinear constrained optimization. It is based on a general approach consisting of the iterative solution in the primal and dual spaces of the equalities in Karush-Kuhn-Tucker optimality conditions. This is done in such a way to have primal and dual feasibility at each iteration, which ensures satisfaction of those optimality conditions at the limit points. This approach is very strong and efficient, since at each iteration it only requires the solution of two linear systems with the same matrix, instead of quadratic programming subproblems. It is also particularly appropriate for engineering design optimization inasmuch at each iteration a feasible design is obtained. The present algorithm uses a quasi-Newton approximation of the second derivative of the Lagrangian function in order to have superlinear asymptotic convergence. We discuss theoretical aspects of the algorithm and its computer implementation.

Herskovits, J.↗

A trust region algorithm for PDE-constrained optimization with bound constraints using reduced order modeling

This paper presents a novel trust region algorithm that relies on proper orthogonal de-composition techniques to construct accurate reduced order models during optimization.The algorithm samples high fidelity snapshots to compute the POD functions that are used to generate reduced order models. The reduced order models are used to replace the computationally intensive high fidelity finite element evaluations during optimization.The proposed algorithm employs a trust region framework to detect loss in predictive ac-curacy in the reduced order model and automatically update the POD functions during optimization. The trust region framework allows the algorithm to use sound mathematical metrics to effectively improve the accuracy and robustness of the reduced order models during optimization. The algorithm also employs a projected gradient algorithm to model bound constraints and compute optimal and feasible controls.This paper also presents an accurate Hessian formulation for topology optimization problems. The proposed trust region framework relies on a quadratic model to update the control. This quadratic model needs reliable second order derivative information to predict the behavior of the objective function within a suitable trust region. If a nonlinear Hessian formulation is used, the computational effort increases due to additional finite element evaluations. The proposed linear Hessian formulation reduces the computational effort and enables the calculation of the second order derivative information without additional finite element model evaluations. Examples in topology optimization are presented to demonstrate the applicability of the proposed algorithm and linear Hessian formulation for large-scale PDE-constrained optimization.

bound constraints↗

A two-level trajectory decomposition algorithm featuring optimal intermediate target selection

A decomposition algorithm is presented that optimizes complex missions by partitioning the trajectory into natural segments such as ascent or entry. Each segment defines a full-rank targeting subproblem. These are solved sequentially using the Newton-Raphson algorithm. The master problem, representing the complete mission, is to determine subproblem targets and master-problem controls that optimize the mission objective subject to intersegment constraints. The gradient projection algorithm solves this problem using derivatives obtained analytically from finite-difference subproblem sensitivities. Thus, the mission is optimized by coordinating the solution of tractible subproblems. Computational results for a synchronous equatorial mission are included.

Petersen, F. M.↗