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Results for “Approximate computing”

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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Application of Newton's method to the postbuckling of rings under pressure loadings

The postbuckling response of circular rings (or long cylinders) is examined. The rings are subjected to four types of external pressure loadings; each type of pressure is defined by its magnitude and direction at points on the buckled ring. Newton's method is applied to the nonlinear differential equations of the exact inextensional theory for the ring problem. A zeroth approximation for the solution of the nonlinear equations, based on the mode shape corresponding to the first buckling pressure, is derived in closed form for each of the four types of pressure. The zeroth approximation is used to start the iteration cycle in Newton's method to compute numerical solutions of the nonlinear equations. The zeroth approximations for the postbuckling pressure-deflection curves are compared with the converged solutions from Newton's method and with similar results reported in the literature.

Thurston, Gaylen A.↗
NASA NTRS1977

Digital overlaying of the universal transverse Mercator grid with LANDSAT data derived products

Picture elements of data from the LANDSAT multispectral scanner are correlated with the universal tranverse Mercator grid. In the procedure, a series of computer modules was used to make approximations of universal transverse Mercator grid locations for all picture elements from the grid locations of a limited number of known control points and to provide display and digital storage of the data. The software has been written in FORTRAN 4 language for a Varian 70-series computer.

Graham, M. H.↗
DOE OSTI2023

Differentiable Earth mover’s distance for data compression at the high-luminosity LHC

Abstract The Earth mover’s distance (EMD) is a useful metric for image recognition and classification, but its usual implementations are not differentiable or too slow to be used as a loss function for training other algorithms via gradient descent. In this paper, we train a convolutional neural network (CNN) to learn a differentiable, fast approximation of the EMD and demonstrate that it can be used as a substitute for computing-intensive EMD implementations. We apply this differentiable approximation in the training of an autoencoder-inspired neural network (encoder NN) for data compression at the high-luminosity LHC at CERN The goal of this encoder NN is to compress the data while preserving the information related to the distribution of energy deposits in particle detectors. We demonstrate that the performance of our encoder NN trained using the differentiable EMD CNN surpasses that of training with loss functions based on mean squared error.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Rapid Assessment of Autoignition Propensity in Novel Fuels and Blends

We developed a computational strategy to correlate bulk combustion metrics of novel fuels and blends in the low-temperature autoignition regime with measurements of key combustion intermediates in a small-volume, dilute, high-pressure reactor. We used neural net analysis of a large simulation dataset to obtain an approximate correlation and proposed experimental and computational steps needed to refine such a predictive correlation. We also designed and constructed a high-pressure laboratory apparatus to conduct the proposed measurements and demonstrated its performance on three canonical fuels: n-heptane, i-octane, and dimethyl ether.

10 SYNTHETIC FUELS↗
DOE OSTI2025

Off-shell vertices in heavy particle effective theories and B → Dπℓν

We study the modifications to decay amplitudes in heavy to heavy semileptonic decays with multiple hadrons in the final state due to intermediate heavy hadrons being off-shell or having a finite width. Combining Heavy Hadron Chiral Perturbation Theory (HHχPT) with a BCFW on-shell factorization formula, we show that these effects induce O (1/M) corrections to the standard results computed in the narrow-width approximation and therefore are important in extracting form factors from data. A combination of perturbative unitarity, analyticity, and reparameterization invariance fully determine these corrections in terms of known Isgur-Wise functions without the need to introduce new form factors. In doing so, we develop a novel technique to compute the boundary term at complex infinity in the BCFW formula for theories with derivatively coupled scalars. While we have used the $\overline{B}$ → Dπℓν decay as an example, these techniques can generally be applied to effective field theories with (multiple) distinct reference vectors. Article PDF

Chiral Lagrangian↗
DOE OSTI2021

Fully variational incremental CASSCF

We report the complete-active-space self-consistent field (CASSCF) method is a canonical electronic structure theory that holds a central place in conceptualizing and practicing first principles simulations. For application to realistic molecules, however, the CASSCF must be approximated to circumvent its exponentially scaling computational costs. Applying the many-body expansion - also known as the method of increments - to CASSCF (iCASSCF) has been shown to produce a polynomially scaling method that retains much of the accuracy of the parent theory and is capable of treating full valence active spaces. Due to an approximation made in the orbital gradient, the orbital parameters of the original iCASSCF formulation could not be variationally optimized, which limited the accuracy of its nuclear gradient. Herein, a variational iCASSCF is introduced and implemented, where all parameters are fully optimized during energy minimization. This method is able to recover electronic correlations from the full valence space in large systems, produce accurate gradients, and optimize stable geometries as well as transition states. Demonstrations on challenging test cases, such as the oxoMn(salen)Cl complex with 84 electrons in 84 orbitals and the automerization of cyclobutadiene, show that the fully variational iCASSCF is a powerful tool for describing challenging molecular chemistries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Pressure effects on the electronic structure and superconductivity of ( TaNb ) 0.67 ( HfZrTi ) 0.33 high entropy alloy

Effects of pressure on the electronic structure, electron-phonon interaction and superconductivity of the high entropy alloy (TaNb) 0.67 (HfZrTi) 0.33 , is studied in the range from 0 to 100 GPa. Electronic structure is calculated using the Korringa-Kohn-Rostoker method and the coherent potential approximation. Effects of pressure on the lattice dynamics were simulated using the Debye- Gru ¨neisen model, and the Gruneisen parameter at ambient conditions, Debye temperature and Sommerfeld electronic heat capacity coefficient were additionally experimentally determined. The electron-phonon coupling parameter λ is calculated using the McMillan-Hopfield parameters, computed in the rigid muffin tin approximation. We find, that the system undergoes the Lifshitz transition, as one of the bands cross the Fermi level at elevated pressures. The electron-phonon coupling parameter ? decreases above 10 GPa, however, calculated superconducting Tc increases up to 40 - 50 GPa and later is stabilized at the larger value than for the ambient conditions, in agreement with the experimental findings. Our results show, that the evolution of Tc with pressure in (TaNb) 0.67 (HfZrTi) 0.33 can be very well explained by the classical electron-phonon mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1989

Computational Aspects of Sensitivity Calculations in Linear Transient Structural Analysis

A study has been performed focusing on the calculation of sensitivities of displacements, velocities, accelerations, and stresses in linear, structural, transient response problems. One significant goal was to develop and evaluate sensitivity calculation techniques suitable for large-order finite element analyses. Accordingly, approximation vectors such as vibration mode shapes are used to reduce the dimensionality of the finite element model. Much of the research focused on the accuracy of both response quantities and sensitivities as a function of number of vectors used. Two types of sensitivity calculation techniques were developed and evaluated. The first type of technique is an overall finite difference method where the analysis is repeated for perturbed designs. The second type of technique is termed semianalytical because it involves direct, analytical differentiation of the equations of motion with finite difference approximation of the coefficient matrices. To be computationally practical in large-order problems, the overall finite difference methods must use the approximation vectors from the original design in the analyses of the perturbed models.

Greene, William H.↗
NASA NTRS1975

An investigation of several numerical procedures for time-asymptotic compressible Navier-Stokes solutions

The status of an investigation of four numerical techniques for the time-dependent compressible Navier-Stokes equations is presented. Results for free shear layer calculations in the Reynolds number range from 1000 to 81000 indicate that a sequential alternating-direction implicit (ADI) finite-difference procedure requires longer computing times to reach steady state than a low-storage hopscotch finite-difference procedure. A finite-element method with cubic approximating functions was found to require excessive computer storage and computation times. A fourth method, an alternating-direction cubic spline technique which is still being tested, is also described.

Rudy, D. H.↗
NASA NTRS2012

Analytic and Computational Perspectives of Multi-Scale Theory for Homogeneous, Laminated Composite, and Sandwich Beams and Plates

This paper reviews the theoretical foundation and computational mechanics aspects of the recently developed shear-deformation theory, called the Refined Zigzag Theory (RZT). The theory is based on a multi-scale formalism in which an equivalent single-layer plate theory is refined with a robust set of zigzag local layer displacements that are free of the usual deficiencies found in common plate theories with zigzag kinematics. In the RZT, first-order shear-deformation plate theory is used as the equivalent single-layer plate theory, which represents the overall response characteristics. Local piecewise-linear zigzag displacements are used to provide corrections to these overall response characteristics that are associated with the plate heterogeneity and the relative stiffnesses of the layers. The theory does not rely on shear correction factors and is equally accurate for homogeneous, laminated composite, and sandwich beams and plates. Regardless of the number of material layers, the theory maintains only seven kinematic unknowns that describe the membrane, bending, and transverse shear plate-deformation modes. Derived from the virtual work principle, RZT is well-suited for developing computationally efficient, C(sup 0)-continuous finite elements; formulations of several RZT-based elements are highlighted. The theory and its finite element approximations thus provide a unified and reliable computational platform for the analysis and design of high-performance load-bearing aerospace structures.

Tessler, Alexander↗
DOE OSTI2020

A passive model for the evolution of subgrid-scale instabilities in turbulent flow regimes

In this work, a zero-dimensional model for the development of turbulent mixing layers driven by Rayleigh–Taylor (RT) or Richtmyer–Meshkov (RM) instabilities is presented, for application in Reynolds-Averaged Navier–Stokes (RANS) simulations. The model approximates the behavior of the turbulent mixing layer at a passively advected tracer particle that sits on the material interface of interest in the simulation, and is used to provide initial conditions for the RANS model once the mixing layer width has developed to a size that may be resolved on the computational mesh. The model relies on approximations to the Besnard–Harlow–Rauenzahn (BHR) RANS closure equations and is thus consistent the turbulent development of the mixing layer, unlike previous models of this type which have focused on the early-time laminar development of RT or RM instabilities. These instabilities will often grow through an initially laminar state before developing into turbulence, and criteria for switching from an existing laminar model to the proposed turbulent model are considered. The proposed model reproduces the mixing layer development of RT and RM instabilities seen in mixed width resolving BHR RANS simulations to a reasonable degree of accuracy, and relaxes the need for the RANS simulation to resolve the mixed width as soon as the mixing layer becomes turbulent, which may be impractical in cases where the mixing layer grows through a wide range of scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Sealing of fractures in a representative CO 2 reservoir caprock by migration of fines

The impact of fines migration on fracture transmissivity reduction was investigated by injecting a brine solution containing a suspension of 0.1 wt. % kaolinite particles with a mean particle size distribution of 9.6 µm through fractured shale core samples. The fractures had apertures estimated to be approximately 100 µm. A mass balance approach was used to determine the quantity of kaolinite that was deposited within the fractures (influent – effluent = amount deposited in fractures). Large fractions (44 to 90%) of the suspended kaolinite pumped through the fractures were deposited within the fractures. Based on fracture volumes estimated with X-ray computed tomography, it was determined that approximately 10 to 17% of the fracture volume was filled with kaolinite at the point when flow was completely restricted. These results indicate that 100 µm fractures in CO 2 reservoir caprocks could be sealed within hours if the brines passing through the fractures contain a proportional volume of particulates to the tests performed in this laboratory study.

04 OIL SHALES AND TAR SANDS↗
NASA NTRS1975

Effects of vibrational nonequilibrium on the inviscid design of an axisymmetric nozzle for hypersonic flow

An axisymmetric, hypersonic nozzle for arc-heated air is described. The method of characteristics is used to compute an inviscid nozzle contour in which vibrational nonequilibrium is approximated by the sudden-freeze technique. Chemical reactions are shown to freeze early in the nozzle expansion, and the result of vibrational and chemical freezing on the nozzle contour is demonstrated. The approximate nozzle design is analyzed by an exact calculation based on the method of characteristics for flow with vibrational nonequilibrium. Exit profiles are computed, and the usefulness of the approximate design is discussed. An analysis of the nozzle performance at off-design conditions is presented.

Anders, J. B., Jr.↗
NASA NTRS1991

Computation of three-dimensional flows using two stream functions

An approach to compute 3-D flows using two stream functions is presented. The method generates a boundary fitted grid as part of its solution. Commonly used two steps for computing the flow fields are combined into a single step in the present approach: (1) boundary fitted grid generation; and (2) solution of Navier-Stokes equations on the generated grid. The presented method can be used to directly compute 3-D viscous flows, or the potential flow approximation of this method can be used to generate grids for other algorithms to compute 3-D viscous flows. The independent variables used are chi, a spatial coordinate, and xi and eta, values of stream functions along two sets of suitably chosen intersecting stream surfaces. The dependent variables used are the streamwise velocity, and two functions that describe the stream surfaces. Since for a 3-D flow there is no unique way to define two sets of intersecting stream surfaces to cover the given flow, different types of two sets of intersecting stream surfaces are considered. First, the metric of the (chi, xi, eta) curvilinear coordinate system associated with each type is presented. Next, equations for the steady state transport of mass, momentum, and energy are presented in terms of the metric of the (chi, xi, eta) coordinate system. Also included are the inviscid and the parabolized approximations to the general transport equations.

Greywall, Mahesh S.↗
DOE OSTI2024

Adaptive Power Flow Approximations With Second-Order Sensitivity Insights

The power flow equations are fundamental to power system planning, analysis, and control. However, the inherent non-linearity and non-convexity of these equations present formidable obstacles in problem-solving processes. To mitigate these challenges, recent research has proposed adaptive power flow linearizations that aim to achieve accuracy over wide operating ranges. The accuracy of these approximations inherently depends on the curvature of the power flow equations within these ranges, which necessitates considering second-order sensitivities. In this paper, we leverage second-order sensitivities to both analyze and improve power flow approximations. We evaluate the curvature across broad operational ranges and subsequently utilize this information to inform the computation of various sample-based power flow approximation techniques. Additionally, we leverage second-order sensitivities to guide the development of rational approximations that yield linear constraints in optimization problems. In conclusion, this approach is extended to enhance accuracy beyond the limitations of linear functions across varied operational scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

A Finite-Field Approach for GW Calculations beyond the Random Phase Approximation

In this work, we describe a finite-field approach to compute density response functions, which allows for efficient G0W0 and G0W0Γ0 calculations beyond the random phase approximation. The method is easily applicable to density functional calculations performed with hybrid functionals. Lastly, we present results for the electronic properties of molecules and solids and we discuss a general scheme to overcome slow convergence of quasiparticle energies obtained from G0W0Γ0 calculations, as a function of the basis set used to represent the dielectric matrix.

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

Thermal Radiation Effects Analyzed in Translucent Composite and Thermal Barrier Coating

Ceramic parts and coatings are needed to withstand high temperatures in advanced aircraft engines. In hot environments, such as in the combustion chambers of these engines, infrared and visible radiation can penetrate into some ceramics and heat them internally. The internal temperatures depend on radiative effects combined with heat conduction, and on convection and radiation at the material boundaries. Since engine temperatures are high, radiant emission can be large from within translucent parts and coatings, and this must be included in the analysis. Transient and steady-state behavior are both important. During a transient, radiant penetration provides more rapid internal heating than conduction alone, and the temperature distributions are usually considerably different than for steady-state conditions; this can produce transient thermal stresses. Analytical and numerical methods are being used at the NASA Lewis Research Center to predict transient temperatures and heat flows in translucent materials. A transient analysis was done for a composite of two translucent layers. The layer refractive indices were larger than 1, producing internal reflections at the boundaries and at the internal interface. In addition, steady-state results were computed for a two-layer composite with one layer opaque. The results were used to assess the importance of internal radiation in a zirconia thermal barrier coating on a cooled metal wall. Since the radiative transfer equations are rather complex, especially when internal scattering is included, approximate methods are being investigated that might be convenient for computer design programs. An approximate two-flux method was used and verified by comparisons with solutions that used exact radiative transfer relations. The two-flux equations include scattering without increasing solution difficulty.

Siegel, Robert↗
DOE OSTI2023

Systems and methods for approximating musculoskeletal dynamics

An approximation method and system are provided for more quickly controlling a prosthetic or other device by reducing computational processing time in a muscle model that can be used to control the prosthetic. For a given muscle, the approximation method can quickly compute polynomial structures for a muscle length and for each associated moment arms, which may be used to generate a torque for a joint position of a physics model. The physics model, in turn, produces a next joint position and velocity data for driving a prosthetic. The approximation method expands the polynomial structures as long as expansion is possible and sufficiently beneficial. The computations can be performed quickly by expanding the polynomial structures in a way that constrains the muscle length polynomial to the moment arm polynomial structures, and vice versa.

Sobinov, Anton↗