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NASA NTRS1985

Multishaker modal testing

A component mode synthesis method for damped structures was developed and modal test methods were explored which could be employed to determine the relevant parameters required by the component mode synthesis method. Research was conducted on the following topics: (1) Development of a generalized time-domain component mode synthesis technique for damped systems; (2) Development of a frequency-domain component mode synthesis method for damped systems; and (3) Development of a system identification algorithm applicable to general damped systems. Abstracts are presented of the major publications which have been previously issued on these topics.

Craig, R. R., Jr.↗

NASA NTRS1984

Quasi-static solution algorithms for kinematically/materially nonlinear thermomechanical problems

This paper develops an algorithmic solution strategy which allows the handling of positive/indefinite stiffness characteristics associated with the pre- and post-buckling of structures subject to complex thermomechanical loading fields. The flexibility of the procedure is such that it can be applied to both finite difference and element-type simulations. Due to the generality of the algorithmic approach developed, both kinematic and thermal/mechanical type material nonlinearity including inelastic effects can be treated. This includes the possibility of handling completely general thermomechanical boundary conditions. To demonstrate the scheme, the results of several benchmark problems is presented.

Padovan, J.↗

NASA NTRS1983

Simplified Syndrome Decoding of (n, 1) Convolutional Codes

A new syndrome decoding algorithm for the (n, 1) convolutional codes (CC) that is different and simpler than the previous syndrome decoding algorithm of Schalkwijk and Vinck is presented. The new algorithm uses the general solution of the polynomial linear Diophantine equation for the error polynomial vector E(D). This set of Diophantine solutions is a coset of the CC space. A recursive or Viterbi-like algorithm is developed to find the minimum weight error vector cirumflex E(D) in this error coset. An example illustrating the new decoding algorithm is given for the binary nonsymmetric (2,1)CC.

I. S. Reed↗

NASA NTRS1991

An assessment of 'shuffle algorithm' collision mechanics for particle simulations

Among the algorithms for collision mechanics used at present, the 'shuffle algorithm' of Baganoff (McDonald and Baganoff, 1988; Baganoff and McDonald, 1990) not only allows efficient vectorization, but also discretizes the possible outcomes of a collision. To assess the applicability of the shuffle algorithm, a simulation was performed of flows in monoatomic gases and the calculated characteristics of shock waves was compared with those obtained using a commonly employed isotropic scattering law. It is shown that, in general, the shuffle algorithm adequately represents the collision mechanics in cases when the goal of calculations are mean profiles of density and temperature.

Feiereisen, William J.↗

NASA NTRS1990

Orthogonal series generalized likelihood ratio test for failure detection and isolation

A new failure detection and isolation algorithm for linear dynamic systems is presented. This algorithm, the Orthogonal Series Generalized Likelihood Ratio (OSGLR) test, is based on the assumption that the failure modes of interest can be represented by truncated series expansions. This assumption leads to a failure detection algorithm with several desirable properties. Computer simulation results are presented for the detection of the failures of actuators and sensors of a C-130 aircraft. The results show that the OSGLR test generally performs as well as the GLR test in terms of time to detect a failure and is more robust to failure mode uncertainty. However, the OSGLR test is also somewhat more sensitive to modeling errors than the GLR test.

Hall, Steven R.↗

NASA NTRS1993

ProperCAD: A portable object-oriented parallel environment for VLSI CAD

Most parallel algorithms for VLSI CAD proposed to date have one important drawback: they work efficiently only on machines that they were designed for. As a result, algorithms designed to date are dependent on the architecture for which they are developed and do not port easily to other parallel architectures. A new project under way to address this problem is described. A Portable object-oriented parallel environment for CAD algorithms (ProperCAD) is being developed. The objectives of this research are (1) to develop new parallel algorithms that run in a portable object-oriented environment (CAD algorithms using a general purpose platform for portable parallel programming called CARM is being developed and a C++ environment that is truly object-oriented and specialized for CAD applications is also being developed); and (2) to design the parallel algorithms around a good sequential algorithm with a well-defined parallel-sequential interface (permitting the parallel algorithm to benefit from future developments in sequential algorithms). One CAD application that has been implemented as part of the ProperCAD project, flat VLSI circuit extraction, is described. The algorithm, its implementation, and its performance on a range of parallel machines are discussed in detail. It currently runs on an Encore Multimax, a Sequent Symmetry, Intel iPSC/2 and i860 hypercubes, a NCUBE 2 hypercube, and a network of Sun Sparc workstations. Performance data for other applications that were developed are provided: namely test pattern generation for sequential circuits, parallel logic synthesis, and standard cell placement.

Ramkumar, Balkrishna↗

NASA NTRS1988

Leapfrog variants of iterative methods for linear algebra equations

Two iterative methods are considered, Richardson's method and a general second order method. For both methods, a variant of the method is derived for which only even numbered iterates are computed. The variant is called a leapfrog method. Comparisons between the conventional form of the methods and the leapfrog form are made under the assumption that the number of unknowns is large. In the case of Richardson's method, it is possible to express the final iterate in terms of only the initial approximation, a variant of the iteration called the grand-leap method. In the case of the grand-leap variant, a set of parameters is required. An algorithm is presented to compute these parameters that is related to algorithms to compute the weights and abscissas for Gaussian quadrature. General algorithms to implement the leapfrog and grand-leap methods are presented. Algorithms for the important special case of the Chebyshev method are also given.

Saylor, Paul E.↗

NASA NTRS1992

A proposed study of multiple scattering through clouds up to 1 THz

A rigorous computation of the electromagnetic field scattered from an atmospheric liquid water cloud is proposed. The recent development of a fast recursive algorithm (Chew algorithm) for computing the fields scattered from numerous scatterers now makes a rigorous computation feasible. A method is presented for adapting this algorithm to a general case where there are an extremely large number of scatterers. It is also proposed to extend a new binary PAM channel coding technique (El-Khamy coding) to multiple levels with non-square pulse shapes. The Chew algorithm can be used to compute the transfer function of a cloud channel. Then the transfer function can be used to design an optimum El-Khamy code. In principle, these concepts can be applied directly to the realistic case of a time-varying cloud (adaptive channel coding and adaptive equalization). A brief review is included of some preliminary work on cloud dispersive effects on digital communication signals and on cloud liquid water spectra and correlations.

Gerace, G. C.↗

NASA NTRS1981

Spectral decomposition of a matrix using the generalized sign matrix

An algorithm for spectral decomposition is presented which does not require knowledge of eigenvalues and eigenvectors. A set of eigenprojectors are defined which covers the entire spectrum of a matrix, and special attention is given to the projection on the zero eigenvalue. Some useful applications are discussed in the paper.

Denman, E. D.↗

NASA NTRS1994

Algorithms for bilevel optimization

General multilevel nonlinear optimization problems arise in design of complex systems and can be used as a means of regularization for multi-criteria optimization problems. Here, for clarity in displaying our ideas, we restrict ourselves to general bi-level optimization problems, and we present two solution approaches. Both approaches use a trust-region globalization strategy, and they can be easily extended to handle the general multilevel problem. We make no convexity assumptions, but we do assume that the problem has a nondegenerate feasible set. We consider necessary optimality conditions for the bi-level problem formulations and discuss results that can be extended to obtain multilevel optimization formulations with constraints at each level.

Alexandrov, Natalia↗

DOE OSTI2024

Multi-Attribute Subset Selection enables prediction of representative phenotypes across microbial populations

The interpretation of complex biological datasets requires the identification of representative variables that describe the data without critical information loss. This is particularly important in the analysis of large phenotypic datasets (phenomics). Here we introduce Multi-Attribute Subset Selection (MASS), an algorithm which separates a matrix of phenotypes (e.g., yield across microbial species and environmental conditions) into predictor and response sets of conditions. Using mixed integer linear programming, MASS expresses the response conditions as a linear combination of the predictor conditions, while simultaneously searching for the optimally descriptive set of predictors. We apply the algorithm to three microbial datasets and identify environmental conditions that predict phenotypes under other conditions, providing biologically interpretable axes for strain discrimination. MASS could be used to reduce the number of experiments needed to identify species or to map their metabolic capabilities. The generality of the algorithm allows addressing subset selection problems in areas beyond biology.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1984

Efficient matrix partitioning for optical computing

Techniques for partitioning optical linear algebra problems to make them amenable to solution using optical processors programmed with simple algorithms are explored. Generalized methods for splitting a linear algebra matrix into a series of submatrices are reviewed, showing that simple forms can be pipelined smoothly and that parallel accumulation can be achieved by beam combining on detectors or by summing electronically. The techniques offer simplified bookkeeping, algorithmic independence, and high efficiency. The computational speed will depend on the number of multiplier-accumulators devoted to the task.

Caulfield, H. J.↗

DOE OSTI2023

Quantum mixed state compiling

The task of learning a quantum circuit to prepare a given mixed state is a fundamental quantum subroutine. We present a variational quantum algorithm (VQA) to learn mixed states which is suitable for near-term hardware. Our algorithm represents a generalization of previous VQAs that aimed at learning preparation circuits for pure states. We consider two different ansätze for compiling the target state; the first is based on learning a purification of the state and the second on representing it as a convex combination of pure states. In both cases, the resources required to store and manipulate the compiled state grow with the rank of the approximation. Thus, by learning a lower rank approximation of the target state, our algorithm provides a means of compressing a state for more efficient processing. As a byproduct of our algorithm, one effectively learns the principal components of the target state, and hence our algorithm further provides a new method for principal component analysis. We investigate the efficacy of our algorithm through extensive numerical implementations, showing that typical random states and thermal states of many body systems may be learnt this way. Additionally, we demonstrate on quantum hardware how our algorithm can be used to study hardware noise-induced states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

Ballistic Models for Radio Jets in Colliding Galaxies: 3C 278 (NGC 4782/4783)

We present here a general numerical simulation algorithm for ballistic radio jets. The evolution of the jets is determined by their response to mechanical forces (i.e., gravity and ram pressure). Using a previously derived collision model for the interacting pair of elliptical galaxies NGC 4782/4783, we have used this algorithm to simulate the specific two-sided jet morphology seen in the radio source associated with NGC 4782 (3C 278). This is the first time such simulations have been attempted for a galaxy pair whose relative orbit was determined independently from the jet modeling. The general morphological features of the jets in 3C 278 (e.g., position angles, lengths, curvature, and deflection angles) are well matched by the simulations, indicating that our model of the mechanical forces acting on the jets can indeed reproduce most of the basic details of the jet morphology and thereby provide an opportunity to model a combination of detailed optical, radio, and X-ray data for a wide variety of interacting radio-jet galaxies. Our models constrain the initial jet parameters (i.e., the ejection speed, direction, and starting time), the properties of the gaseous medium into which the jets are ejected, and the relative importance of gravitational deflection versus ram pressure bending in influencing the jet morphology. For 3C 278, we find that the effects of ram pressure dominate the structural evolution of the jets. In our best-fit simulation the jet ejection speed is of order 10(exp 4) km/s, to within 50%, suggesting that similar low-luminosity radio jets are also significantly subluminal. We also find that the jets are ejected within approximately 5 deg of the line of sight, the ISM in the nonjet galaxy has a much larger effect on the jet deflection than does the host galaxy, and the jet activity began just over 70 million years ago, roughly 50 million years before the pericenter passage of the two galaxies. Therefore, the onset of nuclear activity appears in 3C 278 to be related to the kinematically observed tidal shock that has been induced in the core of NGC 4782 as a result of its deeply penetrating collision with NGC 4783.

Borne, Kirk D.↗

NASA NTRS2002

A Two-Dimensional Linear Bicharacteristic FDTD Method

The linear bicharacteristic scheme (LBS) was originally developed to improve unsteady solutions in computational acoustics and aeroacoustics. The LBS has previously been extended to treat lossy materials for one-dimensional problems. It is a classical leapfrog algorithm, but is combined with upwind bias in the spatial derivatives. This approach preserves the time-reversibility of the leapfrog algorithm, which results in no dissipation, and it permits more flexibility by the ability to adopt a characteristic based method. The use of characteristic variables allows the LBS to include the Perfectly Matched Layer boundary condition with no added storage or complexity. The LBS offers a central storage approach with lower dispersion than the Yee algorithm, plus it generalizes much easier to nonuniform grids. It has previously been applied to two and three-dimensional free-space electromagnetic propagation and scattering problems. This paper extends the LBS to the two-dimensional case. Results are presented for point source radiation problems, and the FDTD algorithm is chosen as a convenient reference for comparison.

Beggs, John H.↗

NASA NTRS1993

Optimization by decomposition in structural and multidisciplinary applications

An algorithm for a general, multilevel structural optimization by substructuring is derived, based on the linear decomposition concept that is rooted in the Bellman's Optimality Criterion enhanced with the optimum sensitivity derivatives used as a means to account for coupling among the subproblems, each of which is limited to optimization of a substructure. The algorithm applies also to those multidisciplinary problems whose subproblems form a hierarchy similar to that of substructures. In systems where the subproblems communicate with each other at the same level, the decomposition becomes non-hierarchic and the system may be optimized as a whole based on the derivatives of the system behavior with respect to the design variables computed by a method that bypasses finite differencing on the system analysis. When a multidisciplinary system includes a structure as its part, a hybrid, hierarchic/non-hierarchic decomposition applies. Numerical examples and references to computational experience accumulated to date illustrate the discussion.

Sobieszczanski-Sobieski, Jaroslaw↗

NASA NTRS2001

A Linear Bicharacteristic FDTD Method

The linear bicharacteristic scheme (LBS) was originally developed to improve unsteady solutions in computational acoustics and aeroacoustics [1]-[7]. It is a classical leapfrog algorithm, but is combined with upwind bias in the spatial derivatives. This approach preserves the time-reversibility of the leapfrog algorithm, which results in no dissipation, and it permits more flexibility by the ability to adopt a characteristic based method. The use of characteristic variables allows the LBS to treat the outer computational boundaries naturally using the exact compatibility equations. The LBS offers a central storage approach with lower dispersion than the Yee algorithm, plus it generalizes much easier to nonuniform grids. It has previously been applied to two and three-dimensional freespace electromagnetic propagation and scattering problems [3], [6], [7]. This paper extends the LBS to model lossy dielectric and magnetic materials. Results are presented for several one-dimensional model problems, and the FDTD algorithm is chosen as a convenient reference for comparison.

Beggs, John H.↗

DOE OSTI2020

Density-Matrix Based Extended Lagrangian Born–Oppenheimer Molecular Dynamics

Extended Lagrangian Born–Oppenheimer molecular dynamics [ Phys. Rev. Lett. 2008, 100, 123004] is presented for Hartree–Fock theory, where the extended electronic degrees of freedom are represented by a density matrix, including fractional occupation numbers at elevated electronic temperatures. In contrast to regular direct Born–Oppenheimer molecular dynamics simulations, no iterative self-consistent field optimization is required prior to the force evaluations. To sample regions of the potential energy landscape where the gap is small or vanishing, which leads to particular convergence problems in regular direct Born–Oppenheimer molecular dynamics simulations, an adaptive integration scheme for the extended electronic degrees of freedom is presented. The integration scheme is based on a tunable, low-rank approximation of a fourth-order kernel, K, that determines the metric tensor, T ≡ K T K, used in the extended harmonic oscillator of the Lagrangian that generates the dynamics of the electronic degrees of freedom. Here, the formulation and algorithms provide a general guide to implement extended Lagrangian Born–Oppenheimer molecular dynamics for quantum chemistry, density functional theory, and semiempirical methods using a density matrix formalism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗