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Tables Of Gaussian-Type Orbital Basis Functions

NASA technical memorandum contains tables of estimated Hartree-Fock wave functions for atoms lithium through neon and potassium through krypton. Sets contain optimized Gaussian-type orbital exponents and coefficients, and near Hartree-Fock quality. Orbital exponents optimized by minimizing restricted Hartree-Fock energy via scaled Newton-Raphson scheme in which Hessian evaluated numerically by use of analytically determined gradients.

Partridge, Harry↗

The optimization of single mode basis functions for polyatomic vibrational problems with application to the water molecule

The optimization of the wave functions is considered for coupled vibrations represented by linear combinations of products of functions depending only on a single vibrational coordinate. The functions themselves are optimized as well as configuration list. For the H2O molecule highly accurate results are obtained for the lowest 15 levels using significantly shorter expansions than would otherwise be possible.

Schwenke, David W.↗

Meshless Petrov-Galerkin Method Applied to Axisymmetric Problems

An axisymmetric Meshless Local Petrov-Galerkin (MLPG) algorithm is presented for the potential and elasticity problems. In this algorithm the trial and test functions are chosen from different spaces. By a judicious choice of these functions, the integrals involved in the weak form can be restricted to a local neighborhood. This makes the method truly meshless. The MLPG algorithm is used to study various potential and elasticity problems for which exact solutions are available. The sensitivity and effectiveness of the MLPG algorithm to various parameters such as the weight functions, basis functions and support domain radius, etc. was studied. The MLPG algorithm yielded accurate solutions for all weight functions, basis functions and support domain radii considered for all of the problems studied.

Raju, I. S.↗

Visibility of DCT Basis Functions: Effects of Contrast Masking

Current strategies for compressing images neglect to accommodate certain aspects of the human visual system. One such neglected aspect is contrast masking. Here we provide measurements of contrast masking within the framework of the discrete cosine transform (DCT). We describe how to optimize DCT-based compression with respect to contrast masking.

Soloman, Joshua A.↗

Design of Multi-Parameter Steerable Functions Using Cascade Basis Reduction

A new cascade basis reduction method of computing the optimal least-squares set of basis functions steering a given function is presented. The method combines the Lie group-theoretic and the singular value decomposition approaches in such a way that their respective strengths complement each other. Since the Lie group-theoretic approach is used, the set of basis and steering functions computed can be expressed analytically. Because the singular value decomposition method is used, this set of basis and steering functions is optimal in the least-squares sense. Furthermore, the computational complexity in designing basis functions for transformation groups with large numbers of parameters is significantly reduced. The efficiency of the cascade basis reduction method is demonstrated by designing a set of basis functions that steers a Gabor function under the four-parameter linear transformation group.

Teo, P.↗

A numerical study of viscous vortex rings using a spectral method

Viscous, axisymmetric vortex rings are investigated numerically by solving the incompressible Navier-Stokes equations using a spectral method designed for this type of flow. The results presented are axisymmetric, but the method is developed to be naturally extended to three dimensions. The spectral method relies on divergence-free basis functions. The basis functions are formed in spherical coordinates using Vector Spherical Harmonics in the angular directions, and Jacobi polynomials together with a mapping in the radial direction. Simulations are performed of a single ring over a wide range of Reynolds numbers (Re approximately equal gamma/nu), 0.001 less than or equal to 1000, and of two interacting rings. At large times, regardless of the early history of the vortex ring, it is observed that the flow approaches a Stokes solution that depends only on the total hydrodynamic impulse, which is conserved for all time. At small times, from an infinitely thin ring, the propagation speeds of vortex rings of varying Re are computed and comparisons are made with the asymptotic theory by Saffman. The results are in agreement with the theory; furthermore, the error is found to be smaller than Saffman's own estimate by a factor square root ((nu x t)/R squared) (at least for Re=0). The error also decreases with increasing Re at fixed core-to-ring radius ratio, and appears to be independent of Re as Re approaches infinity). Following a single ring, with Re=500, the vorticity contours indicate shedding of vorticity into the wake and a settling of an initially circular core to a more elliptical shape, similar to Norbury's steady inviscid vortices. Finally, we consider the case of leapfrogging vortex rings with Re=1000. The results show severe straining of the inner vortex core in the first pass and merging of the two cores during the second pass.

Stanaway, S. K.↗

Evolvable synthetic neural system

An evolvable synthetic neural system includes an evolvable neural interface operably coupled to at least one neural basis function. Each neural basis function includes an evolvable neural interface operably coupled to a heuristic neural system to perform high-level functions and an autonomic neural system to perform low-level functions. In some embodiments, the evolvable synthetic neural system is operably coupled to one or more evolvable synthetic neural systems in a hierarchy.

Curtis, Steven A.↗

Linear and Geometrically Nonlinear Structural Shape Sensing from Strain Data

An aircraft’s shape must be measured during flight to implement active shape controls such as active trim shape, divergence, and sonic boom controls. A basis function method for linear as well as geometrically nonlinear structural shape sensing is proposed in this study. Basis functions can be mode shapes, linear static deformation shapes, and/or geometrically nonlinear static deformation shapes. The proposed basis function method is validated using a high-aspect-ratio wing, a swept test plate, and the National Aeronautics and Space Administration X-59 aircraft. A large structural deformation of a high-aspect-ratio wing is successfully captured using the proposed basis function method with less than 0.3%prediction error at the wing-tip section. The basis function method gives excellent deformation prediction, even with stress concentration. Performance of the basis functions is compared using the X-59 stabilator sample case. In most of the sample load cases, static deformations give a better correlation with the target deformation than do mode shapes. Wing shape sensing with sparse strain data are also demonstrated in this study using the X-59 aircraft. Predicted structural deformations match reasonably with the target deformations, even without strain gauges on some structural components. The predicted deformations have a good match with the target deformations.

Static Deformation↗

A 3D High-Order Unstructured Finite-Volume Algorithm for Solving Maxwell's Equations

A three-dimensional finite-volume algorithm based on arbitrary basis functions for time-dependent problems on general unstructured grids is developed. The method is applied to the time-domain Maxwell equations. Discrete unknowns are volume integrals or cell averages of the electric and magnetic field variables. Spatial terms are converted to surface integrals using the Gauss curl theorem. Polynomial basis functions are introduced in constructing local representations of the fields and evaluating the volume and surface integrals. Electric and magnetic fields are approximated by linear combinations of these basis functions. Unlike other unstructured formulations used in Computational Fluid Dynamics, the new formulation actually does not reconstruct the field variables at each time step. Instead, the spatial terms are calculated in terms of unknowns by precomputing weights at the beginning of the computation as functions of cell geometry and basis functions to retain efficiency. Since no assumption is made for cell geometry, this new formulation is suitable for arbitrarily defined grids, either smooth or unsmooth. However, to facilitate the volume and surface integrations, arbitrary polyhedral cells with polygonal faces are used in constructing grids. Both centered and upwind schemes are formulated. It is shown that conventional schemes (second order in Cartesian grids) are equivalent to the new schemes using first degree polynomials as the basis functions and the midpoint quadrature for the integrations. In the new formulation, higher orders of accuracy are achieved by using higher degree polynomial basis functions. Furthermore, all the surface and volume integrations are carried out exactly. Several model electromagnetic scattering problems are calculated and compared with analytical solutions. Examples are given for cases based on 0th to 3rd degree polynomial basis functions. In all calculations, a centered scheme is applied in the interior, while an upwind matching scheme is employed at material interfaces and the Engquist-Majda non-reflecting boundary condition is implemented at the numerical outer boundaries. The staggered leapfrog scheme and the Runge-Kutta methods are utilized for the time integration. Excellent agreements are found between the numerical and analytical solutions.

Liu, Yen↗

On the Application of Hilbert Spectral Analysis for Climate Studies

The Hilbert spectral analysis (Huang et al, 1998, Proceedings of the Royal Society of London, A 454, pp 903-995) consisted of two steps: First, the data has to be reduced into a finite number of Intrinsic Mode Function by the Empirical Mode Decomposition method, then the resulting Intrinsic Mode Functions are converted to time-frequency-energy distribution through Hilbert transform. In this approach, the Empirical Mode Functions served as the basis functions with which the data is expanded. This basis function is adaptive, and the decomposition is nonlinear. Furthermore, as the Hilbert transform is a singular transform, it retains a high degree of local information. The instantaneous frequency is determined by differentiation of the phase function; therefore, there is no restriction of the 'uncertainty principle' for all the time-frequency analysis resulting from a priori basis approach. With the adaptive basis and the instantaneous frequency, the Hilbert Spectral analysis can represent data from nonlinear and nonstationary processes without resorting to the harmonics. Another advantage of using instantaneous frequency is the ability to find out frequency from limited length of data, which is a critical problem in climate studies. As the processes driving the climate changes could be both nonlinear and nonstationary, the Hilbert Spectral Analysis could be of great use in examining the underlying mechanisms. A preliminary study based on the length of day data will be presented as example for the application of the Hilbert Spectral Analysis for climate study.

Huang, Norden E.↗

Multigrid-sinc methods

A Galerkin method using Whittaker cardinal or 'sinc' functions as basis functions is described for the solution of boundary-value problems. When the solution is analytic in the interior of the domain, the error of approximation using 2N + 1 points is O(e exp /-gamma sq rt N/) even if derivatives of the solution are singular at the boundaries. A multigrid method with overall complexity O(N log N) is used to solve the discrete equations. This paper contains a description of the multigrid-sinc algorithm along with some preliminary numerical results for two-point boundary-value problems.

Schaffer, Steve↗

A hexagonal orthogonal-oriented pyramid as a model of image representation in visual cortex

Retinal ganglion cells represent the visual image with a spatial code, in which each cell conveys information about a small region in the image. In contrast, cells of the primary visual cortex use a hybrid space-frequency code in which each cell conveys information about a region that is local in space, spatial frequency, and orientation. A mathematical model for this transformation is described. The hexagonal orthogonal-oriented quadrature pyramid (HOP) transform, which operates on a hexagonal input lattice, uses basis functions that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The basis functions, which are generated from seven basic types through a recursive process, form an image code of the pyramid type. The seven basis functions, six bandpass and one low-pass, occupy a point and a hexagon of six nearest neighbors on a hexagonal lattice. The six bandpass basis functions consist of three with even symmetry, and three with odd symmetry. At the lowest level, the inputs are image samples. At each higher level, the input lattice is provided by the low-pass coefficients computed at the previous level. At each level, the output is subsampled in such a way as to yield a new hexagonal lattice with a spacing square root of 7 larger than the previous level, so that the number of coefficients is reduced by a factor of seven at each level. In the biological model, the input lattice is the retinal ganglion cell array. The resulting scheme provides a compact, efficient code of the image and generates receptive fields that resemble those of the primary visual cortex.

Watson, Andrew B.↗

A Multi-Resolution Nonlinear Mapping Technique for Design and Analysis Application

This report describes a nonlinear mapping technique where the unknown static or dynamic system is approximated by a sum of dimensionally increasing functions (one-dimensional curves, two-dimensional surfaces, etc.). These lower dimensional functions are synthesized from a set of multi-resolution basis functions, where the resolutions specify the level of details at which the nonlinear system is approximated. The basis functions also cause the parameter estimation step to become linear. This feature is taken advantage of to derive a systematic procedure to determine and eliminate basis functions that are less significant for the particular system under identification. The number of unknown parameters that must be estimated is thus reduced and compact models obtained. The lower dimensional functions (identified curves and surfaces) permit a kind of "visualization" into the complexity of the nonlinearity itself.

Phan, Minh Q.↗

A Multi-Resolution Nonlinear Mapping Technique for Design and Analysis Applications

This report describes a nonlinear mapping technique where the unknown static or dynamic system is approximated by a sum of dimensionally increasing functions (one-dimensional curves, two-dimensional surfaces, etc.). These lower dimensional functions are synthesized from a set of multi-resolution basis functions, where the resolutions specify the level of details at which the nonlinear system is approximated. The basis functions also cause the parameter estimation step to become linear. This feature is taken advantage of to derive a systematic procedure to determine and eliminate basis functions that are less significant for the particular system under identification. The number of unknown parameters that must be estimated is thus reduced and compact models obtained. The lower dimensional functions (identified curves and surfaces) permit a kind of "visualization" into the complexity of the nonlinearity itself.

Phan, Minh Q.↗