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At least 991 records · Page 55

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NASA NTRS1973

Digital approximation of continuous-data control systems by point-by-point state comparison

This paper presents a point-by-point state comparison method of approximating a continuous-data system by a sampled-data system. The problem is to attempt the matching of the states of the two systems at the sampling instants. A partial matching has to be conducted if the systems have more states than controls. A weighting matrix is used to regulate the partial matching and weights placed on each state. The digital approximation is affected by use of forward gain E(T) and feedback gain G(T) in the sampled-data system. It is shown that, in general, these gains can be approximated by truncated Taylor series expansions. An illustrative example is given using the one-axis dynamics of the Skylab satellite.

Kuo, B. C.↗

DOE OSTI2017

A posteriori error estimation for multi-stage Runge–Kutta IMEX schemes

Implicit–Explicit (IMEX) schemes are widely used for time integration methods for approximating solutions to a large class of problems. In this work, we develop accurate a posteriori error estimates of a quantity-of-interest for approximations obtained from multi-stage IMEX schemes. This is done by first defining a finite element method that is nodally equivalent to an IMEX scheme, then using typical methods for adjoint-based error estimation. Furthermore, the use of a nodally equivalent finite element method allows a decomposition of the error into multiple components, each describing the effect of a different portion of the method on the total error in a quantity-of-interest.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

An efficient method to propagate model uncertainty when inverting seismic data for time domain seismic moment tensors

SUMMARY We present a computationally efficient method to approximately propagate uncertainty when linearly inverting seismic data for point source, time variable moment tensor components. The method is based on the assumption that the data residual, given by the difference between the observed seismic data and the data predicated by a linear inversion, contains the effects of both data and model uncertainty. Our method uses a distribution of data residuals, added directly to the data, in a pseudo-Monte Carlo scheme. Using the assumption that the data residual is a stochastic process, we use the well-known Karhunen–Loève (KL) theorem to construct a distribution of data residuals, where the required basis functions are constructed using Fourier series. The Fourier series are scaled by a product of a random variable and the real-valued spectral amplitudes of the original data residual’s spectrum. Thus, the Fourier series and spectral amplitudes are eigenfunction-eigenvalue pairs used in the KL-based construction of data residual distribution. Using tests with synthetic data, we show that our method compares closely with a Finite Difference Monte Carlo (FDMC) method that we presented previously. More importantly, the method presented here is computationally several orders of magnitude faster than our previous FDMC method, and requires no a priori assumptions of model and/or data uncertainty.

Poppeliers, Christian (ORCID:0000000159526849)↗

NASA NTRS2004

A Numerical Investigation of the Extinction of Low Strain Rate Diffusion Flames by an Agent in Microgravity

Our goal has been to investigate the influence of both dilution and radiation on the extinction process of nonpremixed flames at low strain rates. Simulations have been performed by using a counterflow code and three radiation models have been included in it, namely, the optically thin, the narrowband, and discrete ordinate models. The counterflow flame code OPPDIFF was modified to account for heat transfer losses by radiation from the hot gases. The discrete ordinate method (DOM) approximation was first suggested by Chandrasekhar for solving problems in interstellar atmospheres. Carlson and Lathrop developed the method for solving multi-dimensional problem in neutron transport. Only recently has the method received attention in the field of heat transfer. Due to the applicability of the discrete ordinate method for thermal radiation problems involving flames, the narrowband code RADCAL was modified to calculate the radiative properties of the gases. A non-premixed counterflow flame was simulated with the discrete ordinate method for radiative emissions. In comparison with two other models, it was found that the heat losses were comparable with the optically thin and simple narrowband model. The optically thin model had the highest heat losses followed by the DOM model and the narrow-band model.

Puri, Ishwar K.↗

DOE OSTI2019

Investigation of assumptions and approximations in the virtual fields method for a viscoplastic material model

The Virtual Fields Method (VFM) is an inverse technique used for parameter estimation and calibration of constitutive models. Many assumptions and approximations—such as plane stress, incompressible plasticity, and spatial and temporal derivative calculations—are required to use VFM with full-field deformation data, for example, from Digital Image Correlation (DIC). Here, this work presents a comprehensive discussion of the effects of these assumptions and approximations on parameters identified by VFM for a viscoplastic material model for 304L stainless steel. We generated synthetic data from a Finite-Element Analysis (FEA) in order to have a reference solution with a known material model and known model parameters, and we investigated four cases in which successively more assumptions and approximations were included in the data. We found that VFM is tolerant to small deviations from the plane stress condition in a small region of the sample, and that the incompressible plasticity assumption can be used to estimate thickness changes with little error. A local polynomial fit to the displacement data was successfully employed to compute the spatial displacement gradients. The choice of temporal derivative approximation (i.e., backwards difference versus central difference) was found to have a significant influence on the computed rate of deformation and on the VFM results for the rate-dependent model used in this work. Finally, the noise introduced into the displacement data from a stereo-DIC simulator was found to have negligible influence on the VFM results. Evaluating the effects of assumptions and approximations using synthetic data is a critical first step for verifying and validating VFM for specific applications. Finally, the results of this work provide the foundation for confidently using VFM for experimental data.

304L stainless steel↗

DOE OSTI2018

Solving numerically nonlinear systems of balance laws by multivariate sigmoidal functions approximation

A numerical method for solving systems of nonlinear one-dimensional balance laws, based on multivariate sigmoidal functions approximation, is developed. Constructive approximation theorems are first established in both, uniform and L{sup p} norms. A priori as well as a posteriori error estimates are derived for the numerical solutions, when various kinds of sigmoidal functions, such as unit step, logistic and Gompertz functions, are chosen. The residual of the numerical method is also estimated. Numerical examples are given to test the performance of the algorithm, a comparison with the Godunov method is made concerning accuracy and computational cost. Finally, the numerical stability of the method is analyzed.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Precise method of compensating radiation-induced errors in a hot-cathode-ionization gauge with correcting electrode

To compensate pressure-measurement errors caused by a synchrotron radiation environment, a precise method using a hot-cathode-ionization-gauge head with correcting electrode, was developed and tested in a simulation experiment with excess electrons in the SPring-8 storage ring. This precise method to improve the measurement accuracy, can correctly reduce the pressure-measurement errors caused by electrons originating from the external environment, and originating from the primary gauge filament influenced by spatial conditions of the installed vacuum-gauge head. As the result of the simulation experiment to confirm the performance reducing the errors caused by the external environment, the pressure-measurement error using this method was approximately less than several percent in the pressure range from 10{sup −5} Pa to 10{sup −8} Pa. After the experiment, to confirm the performance reducing the error caused by spatial conditions, an additional experiment was carried out using a sleeve and showed that the improved function was available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1973

Determining optical depth in different parts of the Fraunhofer line contour

The method of approximate determination of the optical depth tau in the profile of the Fraunhofer line is considered. In the method the observed profile and allocation of tau to the temperature in the photosphere must be known. If the source function B prime (tau) in the line seems not to be equal to the Planck function, the dependence B prime (tau) on tau is needed. The method for the determination of B prime (tau) using the center-to-limb observations of the central intensities of the line is suggested.

Gurtovenko, E. A.↗

NASA NTRS1974

Improvement of water resources management through the use of satellites flood plain delineation

The delineation of flood-prone areas is an important activity in several parts of the world. Conventional methods map the topography surrounding the river via ground surveys and supplementary aerophotography. The conventional method costs approximately $2,000 per river-kilometer, is laborious and time-consuming. ERTS information can supplement this method by two complementary techniques: (1) the dynamic method images the floods as they occur, exploiting the fact that visible evidence of inundation remains for a substantial period after the high waters have receded; (2) the static method utilizes the fact that several flood plains have been found recognizable on ERTS imagery from distinctive, permanent indicators left by previous floods. For areas whose full development is still in the future, the dynamic method allows the gradual buildup with time of a flood plain map, by simply correlating existing ERTS imagery. The static method allows in several areas, a first-cut indication, of proneness to floods.

Castruccio, P. A.↗

NASA NTRS2003

Energetics of Single Substitutional Impurities in NiTi

Shape-memory alloys are of considerable current interest, with applications ranging from stents to Mars rover components. In this work, we present results on the energetics of single substitutional impurities in B2 NiTi. Specifically, energies of Pd, Pt, Zr and Hf impurities at both Ni and Ti sites are computed. All energies are computed using the CASTEP ab initio code, and, for comparison, using the quantum approximate energy method of Bozzolo, Ferrante and Smith. Atomistic relaxation in the vicinity of the impurities is investigated via quantum approximate Monte Carlo simulation, and in cases where the relaxation is found to be important, the resulting relaxations are applied to the ab initio calculations. We compare our results with available experimental work.

Good, Brian S.↗

DOE OSTI2019

Scalable Extended Dynamic Mode Decomposition Using Random Kernel Approximation

The Koopman operator is a linear, infinite-dimensional operator that governs the dynamics of system observables; extended dynamic mode decomposition (EDMD) is a data-driven method for approximating the Koopman operator using functions (features) of the system state snapshots. This paper investigates an approach to EDMD in which the features used provide random approximations to a particular kernel function. The objective of this is computational economy for large data sets: EDMD is generally ill-suited for problems with large state dimension, and its dual kernel formulation (KDMD) is well-suited for such problems only if the number of data snapshots is relatively small. We discuss two specific methods for generating features: random Fourier features and the Nÿstrom method. The first method is a data-independent method for translation-invariant kernels only and involves random sampling in feature space; the second method is a data-dependent empirical method that may be used for any kernel and involves random sampling of data. We first discuss how these ideas may be applied in an EDMD context, as well as a means for adaptively adding random Fourier features. As a result, we demonstrate these methods on two example problems and conclude with an analysis of the relative benefits and drawbacks of each method.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction

A perfect-pairing generalized valence bond (GVB) approximation is known to be one of the simplest approximations, which allows one to capture the essence of static correlation in molecular systems. In spite of its attractive feature of being relatively computationally efficient, this approximation misses a large portion of dynamic correlation and does not offer sufficient accuracy to be generally useful for studying electronic structure of molecules. We propose to correct the GVB model and alleviate some of its deficiencies by amending it with the correlation energy correction derived from the recently formulated extended random phase approximation (ERPA). On the examples of systems of diverse electronic structures, we show that the resulting ERPA-GVB method greatly improves upon the GVB model. ERPA-GVB recovers most of the electron correlation and it yields energy barrier heights of excellent accuracy. Thanks to a balanced treatment of static and dynamic correlation, ERPA-GVB stays reliable when one moves from systems dominated by dynamic electron correlation to those for which the static correlation comes into play.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and double excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1989

Recent activities within the Aeroservoelasticity Branch at the NASA Langley Research Center

The objective of research in aeroservoelasticity at the NASA Langley Research Center is to enhance the modeling, analysis, and multidisciplinary design methodologies for obtaining multifunction digital control systems for application to flexible flight vehicles. Recent accomplishments are discussed, and a status report on current activities within the Aeroservoelasticity Branch is presented. In the area of modeling, improvements to the Minimum-State Method of approximating unsteady aerodynamics are shown to provide precise, low-order aeroservoelastic models for design and simulation activities. Analytical methods based on Matched Filter Theory and Random Process Theory to provide efficient and direct predictions of the critical gust profile and the time-correlated gust loads for linear structural design considerations are also discussed. Two research projects leading towards improved design methodology are summarized. The first program is developing an integrated structure/control design capability based on hierarchical problem decomposition, multilevel optimization and analytical sensitivities. The second program provides procedures for obtaining low-order, robust digital control laws for aeroelastic applications. In terms of methodology validation and application the current activities associated with the Active Flexible Wing project are reviewed.

Noll, Thomas E.↗

NASA NTRS1989

Recent activities within the aeroservoelasticity branch at the NASA Langley Research Center

Noll, Thomas↗

NASA NTRS2008

Minimizing EVA Airlock Time and Depress Gas Losses

This paper describes the need and solution for minimizing EVA airlock time and depress gas losses using a new method that minimizes EVA out-the-door time for a suited astronaut and reclaims most of the airlock depress gas. This method consists of one or more related concepts that use an evacuated reservoir tank to store and reclaim the airlock depress gas. The evacuated tank can be an inflatable tank, a spent fuel tank from a lunar lander descent stage, or a backup airlock. During EVA airlock operations, the airlock and reservoir would be equalized at some low pressure, and through proper selection of reservoir size, most of the depress gas would be stored in the reservoir for later reclamation. The benefit of this method is directly applicable to long duration lunar and Mars missions that require multiple EVA missions (up to 100, two-person lunar EVAs) and conservation of consumables, including depress pump power and depress gas. The current ISS airlock gas reclamation method requires approximately 45 minutes of the astronaut s time in the airlock and 1 KW in electrical power. The proposed method would decrease the astronaut s time in the airlock because the depress gas is being temporarily stored in a reservoir tank for later recovery. Once the EVA crew is conducting the EVA, the volume in the reservoir would be pumped back to the cabin at a slow rate. Various trades were conducted to optimize this method, which include time to equalize the airlock with the evacuated reservoir versus reservoir size, pump power to reclaim depress gas versus time allotted, inflatable reservoir pros and cons (weight, volume, complexity), and feasibility of spent lunar nitrogen and oxygen tanks as reservoirs.

Trevino, Luis A.↗

NASA NTRS2013

Spectral Element Method for the Simulation of Unsteady Compressible Flows

This work uses a discontinuous-Galerkin spectral-element method (DGSEM) to solve the compressible Navier-Stokes equations [1{3]. The inviscid ux is computed using the approximate Riemann solver of Roe [4]. The viscous fluxes are computed using the second form of Bassi and Rebay (BR2) [5] in a manner consistent with the spectral-element approximation. The method of lines with the classical 4th-order explicit Runge-Kutta scheme is used for time integration. Results for polynomial orders up to p = 15 (16th order) are presented. The code is parallelized using the Message Passing Interface (MPI). The computations presented in this work are performed using the Sandy Bridge nodes of the NASA Pleiades supercomputer at NASA Ames Research Center. Each Sandy Bridge node consists of 2 eight-core Intel Xeon E5-2670 processors with a clock speed of 2.6Ghz and 2GB per core memory. On a Sandy Bridge node the Tau Benchmark [6] runs in a time of 7.6s.

Diosady, Laslo Tibor↗

NASA NTRS1989

First and second order convex approximation strategies in structural optimization

In this paper, various methods based on convex approximation schemes are discussed that have demonstrated strong potential for efficient solution of structural optimization problems. First, the convex linearization method (Conlin) is briefly described, as well as one of its recent generalizations, the method of moving asymptotes (MMA). Both Conlin and MMA can be interpreted as first-order convex approximation methods that attempt to estimate the curvature of the problem functions on the basis of semiempirical rules. Attention is next directed toward methods that use diagonal second derivatives in order to provide a sound basis for building up high-quality explicit approximations of the behavior constraints. In particular, it is shown how second-order information can be effectively used without demanding a prohibitive computational cost. Various first-order and second-order approaches are compared by applying them to simple problems that have a closed form solution.

Fleury, C.↗