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Results for “Scaling and squaring method”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Exploiting Kronecker structure in exponential integrators: Fast approximation of the action of φ $-$functions of matrices via quadrature

Here, in this article, we propose an algorithm for approximating the action of φ $-$ functions of matrices against vectors, which is a key operation in exponential time integrators. In particular, we consider matrices with Kronecker sum structure, which arise from problems admitting a tensor product representation. The method is based on quadrature approximations of the integral form of the φ $-$ functions combined with a scaling and modified squaring method. Owing to the Kronecker sum representation, only actions of 1D matrix exponentials are needed at each quadrature node and assembly of the full matrix can be avoided. Additionally, we derive a priori bounds for the quadrature error, which show that, as expected by classical theory, the rate of convergence of our method is supergeometric. Guided by our analysis, we construct a fast and robust method for estimating the optimal scaling factor and number of quadrature nodes that minimizes the total cost for a prescribed error tolerance. We investigate the performance of our algorithm by solving several linear and semilinear time-dependent problems in 2D and 3D. The results show that our method is accurate and orders of magnitude faster than the current state-of-the-art.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Stochastic and mixed density functional theory within the projector augmented wave formalism for simulation of warm dense matter

Stochastic density functional theory (DFT) and mixed stochastic-deterministic DFT are burgeoning approaches for the calculation of the equation of state and transport properties in materials under extreme conditions. In the intermediate warm dense matter regime, a state between correlated condensed matter and kinetic plasma, electrons can range from being highly localized around nuclei to delocalized over the whole simulation cell. The plane-wave basis pseudopotential approach is thus the typical tool of choice for modeling such systems at the DFT level. Unfortunately, stochastic DFT methods scale as the square of the maximum plane-wave energy in this basis. To reduce the effect of this scaling and improve the overall description of the electrons within the pseudopotential approximation, we present stochastic and mixed DFT approaches developed and implemented within the projector augmented wave formalism. In conclusion, we compare results between the different DFT approaches for both single-point and molecular dynamics trajectories and present calculations of self-diffusion coefficients of solid density carbon from 1 to 50 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1997

Data Assimilation in the Ocean and in the Atmosphere: What Should be Next?

As part of the International Symposium on Assimilation of Observation in Meteorology and Oceanography, a panel discussion was held on the evening of 15 March 1995. The purpose of this panel discussion was focus on what the next major areas of research in data assimilation should be. The panelists had five minutes each for short presentations (Kalman filters, representers, etc.) and this was followed by an open discussion. This preprocessing will require a good understanding of the fine-scale phenomena. Least square methods such as Kalman filters and variational schemes are inefficient estimators of non-Gaussian field such as chemical traces. Regardless of the modeling technique employed (Lagrangian methods seem best), a least squares assimilation scheme will smear fine structure. The estimator of maximum likelihood must be sought, by examination of tracer probability distributions.

Kalnay, Eugenia↗
NASA NTRS1993

Large-scale computation of incompressible viscous flow by least-squares finite element method

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to large-scale/three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations and results in symmetric, positive definite algebraic system which can be solved effectively by simple iterative methods. The first-order velocity-Bernoulli function-vorticity formulation for incompressible viscous flows is also tested. For three-dimensional cases, an additional compatibility equation, i.e., the divergence of the vorticity vector should be zero, is included to make the first-order system elliptic. The simple substitution of the Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. To show the validity of this scheme for large-scale computation, we give numerical results for 2D driven cavity problem at Re = 10000 with 408 x 400 bilinear elements. The flow in a 3D cavity is calculated at Re = 100, 400, and 1,000 with 50 x 50 x 50 trilinear elements. The Taylor-Goertler-like vortices are observed for Re = 1,000.

Jiang, Bo-Nan↗
DOE OSTI2020

Calculating the divided differences of the exponential function by addition and removal of inputs

We introduce a method for calculating the divided differences of the exponential function by means of addition and removal of items from the input list to the function. Our technique exploits a new identity related to divided differences recently derived by F. Zivcovich. We show that upon adding an item to or removing an item from the input list of an already evaluated exponential, the re-evaluation of the divided differences can be done with only O(sn) floating point operations and O(sn) bytes of memory, where [z 0 ,...,z n ] are the inputs and s ∝ max i,j |z i – z j |. We demonstrate our algorithm’s ability to deal with input lists that are orders-of-magnitude longer than the maximal capacities of the current state-of-the-art. Here, we discuss in detail one practical application of our method: the efficient calculation of weights in the off-diagonal series expansion quantum Monte Carlo algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Large-Scale Inference of Multivariate Regression for Heavy-Tailed and Asymmetric Data

Large-scale multivariate regression is a fundamental statistical tool with a wide range of applications. Here, this study considers the problem of simultaneously testing a large number of general linear hypotheses, encompassing covariate-effect analysis, analysis of variance, and model comparisons. The challenge that accompanies a large number of tests is the ubiquitous presence of heavy-tailed and/or highly skewed measurement noise, which is the main reason for the failure of conventional least squares-based methods. For large-scale multivariate regression, we develop a set of robust inference methods to explore data features such as heavy tailedness and skewness, which are not visible to least squares methods. The new testing procedure is based on the data-adaptive Huber regression and a new covariance estimator of regression estimates. Under mild conditions, we show that our methods produce consistent estimates of the false discovery proportion. Extensive numerical experiments and an empirical study on quantitative linguistics demonstrate the advantage of the proposed method over many state-of-the-art methods when the data are generated from heavy-tailed and/or skewed distributions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2009

Development of Jet Noise Power Spectral Laws Using SHJAR Data

High quality jet noise spectral data measured at the Aeroacoustic Propulsion Laboratory at the NASA Glenn Research Center is used to examine a number of jet noise scaling laws. Configurations considered in the present study consist of convergent and convergent-divergent axisymmetric nozzles. Following the work of Viswanathan, velocity power factors are estimated using a least squares fit on spectral power density as a function of jet temperature and observer angle. The regression parameters are scrutinized for their uncertainty within the desired confidence margins. As an immediate application of the velocity power laws, spectral density in supersonic jets are decomposed into their respective components attributed to the jet mixing noise and broadband shock associated noise. Subsequent application of the least squares method on the shock power intensity shows that the latter also scales with some power of the shock parameter. A modified shock parameter is defined in order to reduce the dependency of the regression factors on the nozzle design point within the uncertainty margins of the least squares method.

Khavaran, Abbas↗
DOE OSTI2023

Open-Shell Tensor Hypercontraction

The extension of least-squares tensor hypercontracted second- and third-order Møller–Plesset perturbation theory (LS-THC-MP2 and LS-THC-MP3) to open-shell systems is an important development due to the scaling reduction afforded by THC and the ubiquity of molecular ions, radicals, and other open-shell reactive species. The complexity of wavefunction-based quantum-chemical methods such as Møller–Plesset and coupled cluster theory is reflected in the steep scaling of the computational costs with the molecular size. The least-squares tensor hypercontraction (LS-THC) method is an efficient, single-step factorization for the two-electron integral tensor but can also be used to factorize the double excitation amplitudes, leading to significant scaling reduction. Herein we extend this promising method to open-shell variants of LS-THC-MP2 and -MP3 by using diagrammatic techniques and explicit spin summation. The accuracy of the resulting methods for open-shell species is benchmarked on standard test systems such as regular alkanes as well as realistic systems involving bond breaking, radical stabilization, and other effects. We find that open-shell LS-THC-MPn methods exhibit errors highly comparable to those produced by closed-shell LS-THC-MPn and are highly insensitive to particular chemical interactions, geometries, or even moderate spin contamination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Computational Issues in Damping Identification for Large Scale Problems

Two damping identification methods are tested for efficiency in large-scale applications. One is an iterative routine, and the other a least squares method. Numerical simulations have been performed on multiple degree-of-freedom models to test the effectiveness of the algorithm and the usefulness of parallel computation for the problems. High Performance Fortran is used to parallelize the algorithm. Tests were performed using the IBM-SP2 at NASA Ames Research Center. The least squares method tested incurs high communication costs, which reduces the benefit of high performance computing. This method's memory requirement grows at a very rapid rate meaning that larger problems can quickly exceed available computer memory. The iterative method's memory requirement grows at a much slower pace and is able to handle problems with 500+ degrees of freedom on a single processor. This method benefits from parallelization, and significant speedup can he seen for problems of 100+ degrees-of-freedom.

Pilkey, Deborah L.↗
NASA NTRS1989

Body frame close coupling wave packet approach to gas phase atom-rigid rotor inelastic collisions

The close coupling wave packet (CCWP) method is formulated in a body-fixed representation for atom-rigid rotor inelastic scattering. For J greater than j-max (where J is the total angular momentum and j is the rotational quantum number), the computational cost of propagating the coupled channel wave packets in the body frame is shown to scale approximately as N exp 3/2, where N is the total number of channels. For large numbers of channels, this will be much more efficient than the space frame CCWP method previously developed which scales approximately as N-squared under the same conditions.

Sun, Y.↗
NASA NTRS1995

Signal-to-noise enhancement in ground-based intensity observations of solar p modes

Intensity observations of solar p modes are needed to form a complete picture of wave propagation in the photosphere. Ground-based intensity observations are severely hampered by terrestrial atmospheric noise. Partial cancellation of the noise power can be achieved if two spectra having disparate signal-to- noise ratios, and based on time series acquired simultaneously at the same site, are combined. A method of combining the spectra is suggested in which one amplitude is scaled and subtracted from the other. The result is squared yielding a positive-definite power density. To test the method, the intensity of light scattered by the Earth's atmnosphere was recorded at fifteen- second intervals in two narrow bands centered on 0.5 microns and 1.6 microns. When the two resulting spectra were combined, the noise power was attenuated by a factor of 2.7. The scale factor was varied about its optimum value, revealing that noise peaks have a different siganture than signal peaks, and opening up the possibility of a new tool in discrimination against noise peaks. Maxima at symmetry-allowed frequencies and minima at symmetry- forbidden frequencies indicate that the possibility that these results are obtained by chance is only 6.1 x 10(exp -4). The positions of these maxima and minima also support the solar-cycle dependent frequency shifts found by Palle, Regulo, and Roca Cortes.

Germain, Marvin E.↗
NASA NTRS1979

Astrometric observations of the satellites of the outer planets. I - The Galilean satellites in 1977

Astrometric observations of the Galilean satellites of Jupiter performed around the opposition of 1977 with a 67-cm photovisual refractor are reported. The measurements are reduced to absolute and intersatellite positions by two different methods: a linear least-squares plate-constant solution to the AGK3 reference-star frame and the trail-scale method of Pascu (1977). Results of a plate-constant reduction are also presented for two observations of JV (Amalthea). Comparison of the data with Liske's (1978) theoretical predictions for the intersatellite positions indicates no systematic bias in the data; a probable scatter of about 15 arcsec in both right ascension and declination is estimated.

Ianna, P. A.↗
NASA NTRS1993

A renormalization group analysis of two-dimensional magnetohydrodynamic turbulence

The renormalization group (RNG) method is used to study the physics of two-dimensional (2D) magnetohydrodynamic (MHD) turbulence. It is shown that, for a turbulent magnetofluid in two dimensions, no RNG transformation fixed point exists on account of the coexistence of energy transfer to small scales and mean-square magnetic flux transfer to large scales. The absence of a fixed point renders the RNG method incapable of describing the 2D MHD system. A similar conclusion is reached for 2D hydrodynamics, where enstrophy flows to small scales and energy to large scales. These analyses suggest that the applicability of the RNG method to turbulent systems is intrinsically limited, especially in the case of systems with dual-direction transfer.

Liang, Wenli Z.↗
NASA NTRS1985

Rapid estimation of frequency response functions by close-range photogrammetry

The accuracy of a rapid method which estimates the frequency response function from stereoscopic dynamic data is computed. It is shown that reversal of the order of the operations of coordinate transformation and Fourier transformation, which provides a significant increase in computational speed, introduces error. A portion of the error, proportional to the perturbation components normal to the camera focal planes, cannot be eliminated. The remaining error may be eliminated by proper scaling of frequency data prior to coordinate transformation. Methods are developed for least squares estimation of the full 3x3 frequency response matrix for a three dimensional structure.

Tripp, J. S.↗
NASA NTRS1988

Calculation of Weibull strength parameters and Batdorf flow-density constants for volume- and surface-flaw-induced fracture in ceramics

The calculation of shape and scale parameters of the two-parameter Weibull distribution is described using the least-squares analysis and maximum likelihood methods for volume- and surface-flaw-induced fracture in ceramics with complete and censored samples. Detailed procedures are given for evaluating 90 percent confidence intervals for maximum likelihood estimates of shape and scale parameters, the unbiased estimates of the shape parameters, and the Weibull mean values and corresponding standard deviations. Furthermore, the necessary steps are described for detecting outliers and for calculating the Kolmogorov-Smirnov and the Anderson-Darling goodness-of-fit statistics and 90 percent confidence bands about the Weibull distribution. It also shows how to calculate the Batdorf flaw-density constants by uing the Weibull distribution statistical parameters. The techniques described were verified with several example problems, from the open literature, and were coded. The techniques described were verified with several example problems from the open literature, and were coded in the Structural Ceramics Analysis and Reliability Evaluation (SCARE) design program.

Pai, Shantaram S.↗
NASA NTRS1989

Calculation of Weibull strength parameters and Batdorf flow-density constants for volume- and surface-flaw-induced fracture in ceramics

The calculation of shape and scale parametes of the two-parameter Weibull distribution is described using the least-squares analysis and maximum likelihood methods for volume- and surface-flaw-induced fracture in ceramics with complete and censored samples. Detailed procedures are given for evaluating 90 percent confidence intervals for maximum likelihood estimates of shape and scale parameters, the unbiased estimates of the shape parameters, and the Weibull mean values and corresponding standard deviations. Furthermore, the necessary steps are described for detecting outliers and for calculating the Kolmogorov-Smirnov and the Anderson-Darling goodness-of-fit statistics and 90 percent confidence bands about the Weibull distribution. It also shows how to calculate the Batdorf flaw-density constants by using the Weibull distribution statistical parameters. The techniques described were verified with several example problems, from the open literature, and were coded in the Structural Ceramics Analysis and Reliability Evaluation (SCARE) design program.

Shantaram, S. Pai↗
NASA NTRSDate not supplied

Structural Requirements and Scaling Analysis of a Fluidic Mirror Space Telescope Support Structure

The NASA FLUTE project proposes large-scale (50m) fluidic telescopes for astronomy applications. To continue to explore the universe, astronomers require larger and larger telescope apertures. The highest priority astrophysics targets such as exoplanets and early galaxies are extremely faint, motivating larger telescope apertures. However, mission costs depend on aperture diameter, and scaling apertures beyond 10-m apertures faces economic and technological viability challenges. An unsegmented primary mirror made in space via fluidic microgravity shaping would provide a scalable and cost-effective method to scale apertures to 50-m scale while achieving sub-nanometer (root mean square) surface quality. Such microgravity fluidic shaping has been demonstrated in laboratory neutral buoyance environments, parabolic microgravity experiments, as well aboard the International Space Station. One of the main components of a fluidic observatory is the mirror frame. The frame must provide a stable bounding circular ring which the edges of the fluid mirror surface can wet. The frame can optionally provide a ‘floor’ surface on the interior of the ring to provide additional fluid support and reduce required fluid volume. In this work, we evaluate several classes of structural frame architectures potentially suitable for a fluidic telescope support structure. We start by estimating stability requirements, orbital, station keeping, and slew loads based on a notional CONOPS. The scaling of overall fluid mass required for each architecture is evaluated. Preliminary results elucidate the importance of a support floor for overall mission viability above 10-m diameter. We then investigate the scaling of a tetrahedral truss frame support structure. We show that segmented solid shell support surfaces can provide sufficient stability at modest mass fractions. We estimate that the total fluid and frame mass for a 50-m telescope could be on the order of 15,000 kg. Finally, implementation considerations are discussed, including deployment/assembly methodologies. The results of this study establish feasibility of a large-scale fluidic telescope and will guide further architecture development and detailed structural design.

Christine Gregg↗
NASA NTRS1986

Steady surficial core motions - An alternate method

A new method for deriving steady surficial core motions from geomagnetic field models is presented and applied. The original method determines the steady velocity field at the top of a frozen-flux core which best fits, in both the spatial and temporal linear least squares sense, a model of the large scale geomagnetic secular variation (SV) at the base of a source-free mantle (Voorhies, 1986). New method is based upon the same physical assumptions, but fits SV at earth's surface instead of the core-mantle boundary (CMB). The newly derived flow differs somewhat from prior solutions, and shows but slight westward drift; however, other key global properties are virtually unchanged. Over a 15 year interval the new method provides a better fit to the time-varying geomagnetic field at earth's surface than does the old.

Voorhies, Coerte V.↗