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At least 991 records · Page 55

Algebraic Multigrid with Optimal Interpolation and Adaptive Smoothers (Final Report)

The project team continued with work on developing new bootstrap AMG techniques for solving symmetric and non-symmetric PDE systems. The focus of this work is to derive more reliable measures of the quality of the coarse space set than the convergence rate of the standard F-relaxation form of CR and a more robust form of interpolation than the so-called ideal form. We have successfully derived a sharp variant of CR that gives the precise convergence rate of the two-grid method using this optimal interpolation and, in addition, we derived a new Generalized Bootstrap AMG setup algorithm that uses as its main tool a multilevel eigensolver for the generalized eigenvalue problem involving the system matrix and the symmetrized smoother. In addition, the approach allows for general block smoothers with overlap. We have applied the method to scalar diffusion problems, linear elasticity, and Maxwell’s and the method shows marked improvements over existing AMG methods for these problems. In addition, the team worked with CASC members on new forms of ideal AMG interpolation.

97 MATHEMATICS AND COMPUTING↗

A computational and experimental study of high Reynolds number viscous/inviscid interaction about a cone at high angle of attack

The flow over a 5 deg semi-angle cone at incidence in supersonic flow is studied as a model problem for the flow over aircraft forebodies. A computational method utilizing the conically symmetric Navier-Stokes equations is used to obtain theoretical flow results which are compared with experimental data from the Ames Research Center 6- by 6-Foot Wind Tunnel and with results from a cone model sting mounted on an F-15 aircraft. The computed results agree well with the wind-tunnel data but less well with the flight data. Modification of the algebraic turbulence model was necessary to reflect an apparent lower turbulence level in flight than was present in the wind tunnel.

Mcrae, D. S.↗

A Computing Method for Sound Propagation Through a Nonuniform Jet Stream

Understanding the principles of jet noise propagation is an essential ingredient of systematic noise reduction research. High speed computer methods offer a unique potential for dealing with complex real life physical systems whereas analytical solutions are restricted to sophisticated idealized models. The classical formulation of sound propagation through a jet flow was found to be inadequate for computer solutions and a more suitable approach was needed. Previous investigations selected the phase and amplitude of the acoustic pressure as dependent variables requiring the solution of a system of nonlinear algebraic equations. The nonlinearities complicated both the analysis and the computation. A reformulation of the convective wave equation in terms of a new set of dependent variables is developed with a special emphasis on its suitability for numerical solutions on fast computers. The technique is very attractive because the resulting equations are linear in nonwaving variables. The computer solution to such a linear system of algebraic equations may be obtained by well-defined and direct means which are conservative of computer time and storage space. Typical examples are illustrated and computational results are compared with available numerical and experimental data.

Padula, S. L.↗

Algebraic surface grid generation in three-dimensional space

An interactive program for algebraic generation of structured surface grids in three dimensional space was developed on the IRIS4D series workstations. Interactive tools are available to ease construction of edge curves and surfaces in 3-D space. Addition, removal, or redistribution of points at arbitrary locations on a general 3-D surface or curve is possible. Also, redistribution of surface grid points may be accomplished through use of conventional surface splines or a method called 'surface constrained transfinite interpolation'. This method allows the user to redistribute the grid points on the edges of a surface patch; the effect of the redistribution is then propagated to the remainder of the surface through a transfinite interpolation procedure where the grid points will be constrained to lie on the surface. The program was written to be highly functional and easy to use. A host of utilities are available to ease the grid generation process. Generality of the program allows the creation of single and multizonal surface grids according to the user requirements. The program communicates with the user through popup menus, windows, and the mouse.

Warsi, Saif↗

Machine-Learning Assisted Identification of Battery Life Models

Predictive battery life models are commonly utilized to extrapolate degradation trends observed during accelerated aging tests for simulation of degradation in real-world applications. Thus, fitting accelerated aging data as accurately as possible and with low uncertainty is crucial for making believable projections of battery lifetime, but it is challenging to identify algebraic expressions that accurately fit multivariate degradation trends. A review of models published in literature reveal some common expressions for fitting calendar aging data, which is only dependent on temperature and state-of-charge, but no consistency across many models for fitting cycle aging data, indicating the need for a statistically rigorous data driven approach for developing empirical models. This talk will describe a machine-learning assisted method for identification of predictive battery life models utilizing bilevel optimization and symbolic regression. Bilevel optimization with cross-validation is used to statistically determine cell- and stress-dependent model parameters, while symbolic regression identifies both linear and multiplicative candidate expressions to predict stress-dependent degradation rates by selecting low-order subsets of features from a generated feature library. Because model expressions are identified empirically, it is crucial to ensure resulting models behave according to physical expectations, so the stability of models for interpolation or extrapolation is interrogated qualitatively through simulation and quantitatively through cross-validation and uncertainty quantification via bootstrap resampling. This model identification approach substantially improves upon models identified purely using expert judgement in terms of both accuracy and uncertainty. Model simulation and validation is then conducted by deriving a state-equation form of the predictive model, enabling simulation of battery aging under dynamic stresses. This enables validation of the predictive battery model on lab-based tests with varying conditions or on drive-cycle or application-cycle testing protocols. Parameter uncertainty can be carried forward into model simulation, giving lifetime estimates and confidence windows for cell- or system-level lifetime. The financial impact of battery model uncertainty can be estimated by incorporating uncertainty into a technoeconomic model.

battery↗

Hybrid analytical technique for the nonlinear analysis of curved beams

The application of a two-step hybrid technique to the geometrically nonlinear analysis of curved beams is used to demonstrate the potential of hybrid analytical techniques in nonlinear structural mechanics. The hybrid technique is based on successive use of the perturbation method and a classical direct variational procedure. The functions associated with the various-order terms in the perturbation expansion of the fundamental unknowns, and their sensitivity derivatives with respect to material and geometric parameters of the beam, are first obtained by using the perturbation method. These functions are selected as coordinate functions (or modes) and the classical direct variational technique is then used to compute their amplitudes. The potential of the proposed hybrid technique for nonlinear analysis of structures is discussed. The effectiveness of the hybrid technique is demonstrated by means of numerical examples. The symbolic computation system Mathematica is used in the present study. The tasks performed on Mathematica include: (1) generation of algebraic expressions for the perturbation functions of the different response quantities and their sensitivity derivatives: and (2) determination of the radius of convergence of the perturbation series.

Noor, A. K.↗

Compositional Specification of Software Architecture

This paper describes our experience using parameterized algebraic specifications to model properties of software architectures. The goal is to model the decomposition of requirements independent of the style used to implement the architecture. We begin by providing an overview of the role of architecture specification in software development. We then describe how architecture specifications are build up from component and connector specifications and give an overview of insights gained from a case study used to validate the method.

Penix, John↗

Demonstration of Automatically-Generated Adjoint Code for Use in Aerodynamic Shape Optimization

Gradient-based optimization requires accurate derivatives of the objective function and constraints. These gradients may have previously been obtained by manual differentiation of analysis codes, symbolic manipulators, finite-difference approximations, or existing automatic differentiation (AD) tools such as ADIFOR (Automatic Differentiation in FORTRAN). Each of these methods has certain deficiencies, particularly when applied to complex, coupled analyses with many design variables. Recently, a new AD tool called ADJIFOR (Automatic Adjoint Generation in FORTRAN), based upon ADIFOR, was developed and demonstrated. Whereas ADIFOR implements forward-mode (direct) differentiation throughout an analysis program to obtain exact derivatives via the chain rule of calculus, ADJIFOR implements the reverse-mode counterpart of the chain rule to obtain exact adjoint form derivatives from FORTRAN code. Automatically-generated adjoint versions of the widely-used CFL3D computational fluid dynamics (CFD) code and an algebraic wing grid generation code were obtained with just a few hours processing time using the ADJIFOR tool. The codes were verified for accuracy and were shown to compute the exact gradient of the wing lift-to-drag ratio, with respect to any number of shape parameters, in about the time required for 7 to 20 function evaluations. The codes have now been executed on various computers with typical memory and disk space for problems with up to 129 x 65 x 33 grid points, and for hundreds to thousands of independent variables. These adjoint codes are now used in a gradient-based aerodynamic shape optimization problem for a swept, tapered wing. For each design iteration, the optimization package constructs an approximate, linear optimization problem, based upon the current objective function, constraints, and gradient values. The optimizer subroutines are called within a design loop employing the approximate linear problem until an optimum shape is found, the design loop limit is reached, or no further design improvement is possible due to active design variable bounds and/or constraints. The resulting shape parameters are then used by the grid generation code to define a new wing surface and computational grid. The lift-to-drag ratio and its gradient are computed for the new design by the automatically-generated adjoint codes. Several optimization iterations may be required to find an optimum wing shape. Results from two sample cases will be discussed. The reader should note that this work primarily represents a demonstration of use of automatically- generated adjoint code within an aerodynamic shape optimization. As such, little significance is placed upon the actual optimization results, relative to the method for obtaining the results.

Green, Lawrence↗

An analysis of finite-difference and finite-volume formulations of conservation laws

Finite-difference and finite-volume formulations are analyzed in order to clear up the confusion concerning their application to the numerical solution of conservation laws. A new coordinate-free formulation of systems of conservation laws is developed, which clearly distinguishes the role of physical vectors from that of algebraic vectors which characterize the system. The analysis considers general types of equations--potential, Euler, and Navier-Stokes. Three-dimensional unsteady flows with time-varying grids are described using a single, consistent nomeclature for both formulations. Grid motion due to a non-inertial reference frame as well as flow adaptation is covered. In comparing the two formulations, it is found useful to distinguish between differences in numerical methods and differences in grid definition. The former plays a role for non-Cartesian grids, and results in only cosmetic differences in the manner in which geometric terms are handled. The differences in grid definition for the two formulations is found to be more important, since it affects the manner in which boundary conditions, zonal procedures, and grid singularities are handled at computational boundaries. The proper interpretation of strong and weak conservation-law forms for quasi-one-dimensional and axisymmetric flows is brought out.

Vinokur, Marcel↗

An analysis of finite-difference and finite-volume formulations of conservation laws

Finite-difference and finite-volume formulations are analyzed in order to clear up the confusion concerning their application to the numerical solution of conservation laws. A new coordinate-free formulation of systems of conservation laws is developed, which clearly distinguishes the role of physical vectors from that of algebraic vectors which characterize the system. The analysis considers general types of equations: potential, Euler, and Navier-Stokes. Three-dimensional unsteady flows with time-varying grids are described using a single, consistent nomenclature for both formulations. Grid motion due to a non-inertial reference frame as well as flow adaptation is covered. In comparing the two formulations, it is found useful to distinguish between differences in numerical methods and differences in grid definition. The former plays a role for non-Cartesian grids, and results in only cosmetic differences in the manner in which geometric terms are handled. The differences in grid definition for the two formulations is found to be more important, since it affects the manner in which boundary conditions, zonal procedures, and grid singularities are handled at computational boundaries. The proper interpretation of strong and weak conservation-law forms for quasi-one-dimensional and axisymmetric flows is brought out.

Vinokur, Marcel↗

Secondary battery management

A method of managing a battery system, the battery system including at least one battery cell, at least one sensor configured to measure at least one characteristic of the battery cell, and a battery management system including a microprocessor and a memory, the method comprising receiving by the battery management system, from the at least one sensor at least one measured characteristic of the battery cell at a first time and at least one measured characteristic of the battery cell at a second time. The battery management system estimating, at least one state of the battery cell by applying a physics-based battery model, the physics based battery model being based on differential algebraic equations; and regulating by the battery management system, at least one of charging or discharging of the battery cell based on the at least one estimated state.

25 ENERGY STORAGE↗

Anisotropic Melting of Frustrated Ising Antiferromagnets

Magnetic frustrations and dimensionality play an important role in determining the nature of the magnetic long-range order and how it melts at temperatures above the ordering transition T N . In this Letter, we use large-scale Monte Carlo simulations to study these phenomena in a class of frustrated Ising spin models in two spatial dimensions. Here we find that the melting of the magnetic long-range order into an isotropic gaslike paramagnet proceeds via an intermediate stage where the classical spins remain anisotropically correlated. This correlated paramagnet exists in a temperature range T N < T < T * , whose width increases as magnetic frustrations grow. This intermediate phase is typically characterized by short-range correlations; however, the two-dimensional nature of the model allows for an additional exotic feature—formation of an incommensurate liquidlike phase with algebraically decaying spin correlations. The two-stage melting of magnetic order is generic and pertinent to many frustrated quasi-2D magnets with large (essentially classical) spins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A generalized Lyapunov theory for robust root clustering of linear state space models with real parameter uncertainty

The problem of analyzing and designing controllers for linear systems subject to real parameter uncertainty is considered. An elegant, unified theory for robust eigenvalue placement is presented for a class of D-regions defined by algebraic inequalities by extending the nominal matrix root clustering theory of Gutman and Jury (1981) to linear uncertain time systems. The author presents explicit conditions for matrix root clustering for different D-regions and establishes the relationship between the eigenvalue migration range and the parameter range. The bounds are all obtained by one-shot computation in the matrix domain and do not need any frequency sweeping or parameter gridding. The method uses the generalized Lyapunov theory for getting the bounds.

Yedavalli, R. K.↗

Lie-algebraic classical simulations for quantum computing

The classical simulation of quantum dynamics plays an important role in our understanding of quantum complexity and in the development of quantum technologies. Efficient techniques such as those based on the Gottesman-Knill theorem for Clifford circuits, tensor networks for low entanglement-generating circuits, or Wick's theorem for fermionic Gaussian states have become central tools in quantum computing. In this work, we contribute to this body of knowledge by presenting a framework for classical simulations, dubbed “𝔤-sim”, which is based on the underlying Lie algebraic structure of the dynamical process. When the dimension of the algebra grows at most polynomially in the system size, there exist observables for which the simulation is efficient. Indeed, we show that 𝔤-sim enables new regimes for classical simulations, is able to deal with certain forms of noise in the evolution, as well as can be used to tackle several paradigmatic variational and nonvariational quantum computing tasks. For the former, we perform Lie-algebraic simulations to train and optimize parametrized quantum circuits (thus effectively showing that some variational models can be dequantized), design enhanced parameter initialization strategies, solve tasks of quantum circuit synthesis, and train a quantum-phase classifier. For the latter, we report large-scale noiseless and noisy simulations on benchmark problems. By comparing the limitations of 𝔤-sim and certain Wick's theorem-based simulations, we find that the two methods become inefficient for different types of states or observables, hinting at the existence of distinct, nonequivalent resources for classical simulation.

97 MATHEMATICS AND COMPUTING↗

Strong Zero Modes in Integrable Quantum Circuits

It is a classic result that certain interacting integrable spin chains host robust edge modes known as strong zero modes (SZMs). In this Letter, we extend this result to the Floquet setting of local quantum circuits, focusing on a prototypical model providing an integrable Trotterization for the evolution of the XXZ Heisenberg spin chain. By exploiting the algebraic structures of integrability, we show that an exact SZM operator can be constructed for these integrable quantum circuits in certain regions of parameter space. Our construction, which recovers a well-known result by Paul Fendley in the continuous-time limit, relies on a set of commuting transfer matrices known from integrability, and allows us to easily prove important properties of the SZM, including normalizabilty. Our approach is different from previous methods and could be of independent interest even in the Hamiltonian setting. Furthermore, our predictions, which are corroborated by numerical simulations of infinite-temperature autocorrelation functions, are potentially interesting for implementations of the XXZ quantum circuit on available quantum platforms.

1-dimensional spin chains↗

Stability of large-scale systems with stable and unstable subsystems.

The purpose of this paper is to develop new methods for constructing vector Liapunov functions and broaden the application of Liapunov's theory to stability analysis of large-scale dynamic systems. The application, so far limited by the assumption that the large-scale systems are composed of exponentially stable subsystems, is extended via the general concept of comparison functions to systems which can be decomposed into asymptotically stable subsystems. Asymptotic stability of the composite system is tested by a simple algebraic criterion. With minor technical adjustments, the same criterion can be used to determine connective asymptotic stability of large-scale systems subject to structural perturbations. By redefining the constraints imposed on the interconnections among the subsystems, the considered class of systems is broadened in an essential way to include composite systems with unstable subsystems. In this way, the theory is brought substantially closer to reality since stability of all subsystems is no longer a necessary assumption in establishing stability of the overall composite system.

Grujic, Lj. T.↗

Asymptotic stability and instability of large-scale systems

The purpose of this paper is to develop new methods for constructing vector Lyapunov functions and broaden the application of Lyapunov's theory to stability analysis of large-scale dynamic systems. The application, so far limited by the assumption that the large-scale systems are composed of exponentially stable subsystems, is extended via the general concept of comparison functions to systems which can be decomposed into asymptotically stable subsystems. Asymptotic stability of the composite system is tested by a simple algebraic criterion. By redefining interconnection functions among the subsystems according to interconnection matrices, the same mathematical machinery can be used to determine connective asymptotic stability of large-scale systems under arbitrary structural perturbations.

Grujic, L. T.↗

Complex eigenvalue extraction in NASTRAN by the tridiagonal reduction (FEER) method

An extension of the Tridiagonal Reduction (FEER) method to complex eigenvalue analysis in NASTRAN is described. As in the case of real eigenvalue analysis, the eigensolutions closest to a selected point in the eigenspectrum are extracted from a reduced, symmetric, tridiagonal eigenmatrix whose order is much lower than that of the full size problem. The reduction process is effected automatically, and thus avoids the arbitrary lumping of masses and other physical quantities at selected grid points. The statement of the algebraic eigenvalue problem admits mass, damping and stiffness matrices which are unrestricted in character, i.e., they may be real, complex, symmetric or unsymmetric, singular or non-singular.

Newman, M.↗