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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

On the utility of finite element theory for computational fluid dynamics

An implicit finite element numerical solution algorithm is derived for the compressible Navier-Stokes equations expressed in generalized coordinates. The theoretical basis utilizes a Galerkin-Weighted Residuals formulation, and extremization of approximation error within the context of a multipole expansion. A von Neumann analysis for a simplified form indicates the algorithm fourth- to sixth-order phase accurate, with third-order dissipation for the elementary linear element construction. Performance is improved for the algorithm constructed using quadratic interpolation. Numerical experiments for shocked duct flows are employed to optimize the several algorithm parameters. Additional numerical solutions validate algorithm accuracy and utility for aerodynamics applications.

Baker, A. J.↗
DOE OSTI2022

Robust trajectory-constrained frequency control for microgrids considering model linearization error

Grid supportive modes integrated within inverter-based resources can improve the frequency response of renewable-rich microgrids. The synthesis of grid supportive modes to guarantee frequency trajectory constraints under a predefined disturbance set is challenging but essential. To tackle this challenge, a numerical optimal control (NOC)-based control synthesis methodology is proposed. Without loss of generality, a wind-diesel fed microgrid is studied, where we aim to design grid supportive functions in the wind turbine. In the control design, linearized models are used, and the linearization-induced errors are quantitatively analyzed by reachability and interval arithmetics and represented in the form of interval uncertainties. Then, the NOC problem can be formulated into a robust mixed-integer linear program. The control structure is strategically configured into two levels to realize online deployment. The proposed control is verified on the modified 33-node microgrid with a full-order three-phase nonlinear model in Simulink. In conclusion, the simulation results show the effectiveness of the proposed control paradigm and the necessity of considering linearization-induced uncertainty.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1992

The solution of coupled Schroedinger equations using an extrapolation method

In this paper, extrapolation to the limit in a finite-difference method is applied to solve a system of coupled Schroedinger equations. This combination results in a method that only requires knowledge of the potential energy functions for the system. This numerical procedure has several distinct advantages over the more conventional methods. Namely, initial guesses for the term values are not needed; assumptions need be made about the behavior of the wavefunctions, such as the slope or magnitude in the nonclassical region; and the algorithm is easy to implement, has a firm mathematical foundation, and provides error estimates. Moreover, the method is less sensitive to round-off error than other methods since a small number of mesh points is used and it can be implemented on small computers. A comparison of the method with another numerical method shows results agreeing within 1 part in 10 exp 4.

Goorvitch, D.↗
NASA NTRS2001

Dynamic regulation of heart rate during acute hypotension: new insight into baroreflex function

To examine the dynamic properties of baroreflex function, we measured beat-to-beat changes in arterial blood pressure (ABP) and heart rate (HR) during acute hypotension induced by thigh cuff deflation in 10 healthy subjects under supine resting conditions and during progressive lower body negative pressure (LBNP). The quantitative, temporal relationship between ABP and HR was fitted by a second-order autoregressive (AR) model. The frequency response was evaluated by transfer function analysis. Results: HR changes during acute hypotension appear to be controlled by an ABP error signal between baseline and induced hypotension. The quantitative relationship between changes in ABP and HR is characterized by a second-order AR model with a pure time delay of 0.75 s containing low-pass filter properties. During LBNP, the change in HR/change in ABP during induced hypotension significantly decreased, as did the numerator coefficients of the AR model and transfer function gain. Conclusions: 1) Beat-to-beat HR responses to dynamic changes in ABP may be controlled by an error signal rather than directional changes in pressure, suggesting a "set point" mechanism in short-term ABP control. 2) The quantitative relationship between dynamic changes in ABP and HR can be described by a second-order AR model with a pure time delay. 3) The ability of the baroreflex to evoke a HR response to transient changes in pressure was reduced during LBNP, which was due primarily to a reduction of the static gain of the baroreflex.

Clinical Trial↗
DOE OSTI2020

Space–time reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems

A classical reduced order model for dynamical problems involves spatial reduction of the problem size. However, temporal reduction accompanied by the spatial reduction can further reduce the problem size without losing much accuracy, which results in a considerably more speed-up than the spatial reduction only. Recently, a novel space–time reduced order model for dynamical problems has been developed [17], where the space–time reduced order model shows an order of a hundred speed-up with a relative error of 10 –4 for small academic problems. However, in order for the method to be applicable to a large-scale problem, an efficient space–time reduced basis construction algorithm needs to be developed. Here we present the incremental space–time reduced basis construction algorithm. The incremental algorithm is fully parallel and scalable. Additionally, the block structure in the space–time reduced basis is exploited, which enables the avoidance of constructing the reduced space–time basis. These novel techniques are applied to a large-scale particle transport simulation with million and billion degrees of freedom. The numerical example shows that the algorithm is scalable and practical. Also, it achieves a tremendous speed-up, maintaining a good accuracy. Finally, error bounds for space-only and space–time reduced order models are derived.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Mixed precision s –step Lanczos and conjugate gradient algorithms

Compared to the classical Lanczos algorithm, the s-step Lanczos variant has the potential to improve performance by asymptotically decreasing the synchronization cost per iteration. However, this comes at a price; despite being mathematically equivalent, the s-step variant may behave quite differently in finite precision, potentially exhibiting greater loss of accuracy and slower convergence relative to the classical algorithm. It has previously been shown that the errors in the s-step version follow the same structure as the errors in the classical algorithm, but are amplified by a factor depending on the square of the condition number of the O(s)-dimensional Krylov bases computed in each outer loop. As the condition number of these s-step bases grows (in some cases very quickly) with s, this limits the s values that can be chosen and thus can limit the attainable performance. In this work, we show that if a select few computations in s-step Lanczos are performed in double the working precision, the error terms then depend only linearly on the conditioning of the s-step bases. This has the potential for drastically improving the numerical behavior of the algorithm with little impact on per-iteration performance. Our numerical experiments demonstrate the improved numerical behavior possible with the mixed precision approach, and also show that this improved behavior extends to mixed precision s-step CG. Here, we present preliminary performance results on NVIDIA V100 GPUs that show that the overhead of extra precision is minimal if one uses precisions implemented in hardware.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

On the potential use of satellite sounder data in forecasting tropical cyclone motion

Although many prediction schemes are available, tropical cyclone track forecast errors are still unacceptably large. A primary difficulty is that tropical cyclones and their environments are poorly observed by conventional data networks. Satellite sounders, however, routinely provide numerous observations near these storms. Mean layer temperatures from the Scanning Microwave Spectrometer (SCAMS) on board the Nimbus-6 satellite are decomposed using empirical orthogonal functions, and the expansion coefficients are related to deviations from persistence track forecasts. Based on multiple correlation coefficients it appears that upper-level (250-100 mb) temperatures contain significant information about the right-angle error of the persistence forecast location. Temperatures from the 1000-500 mb layer seemed to contain little forecast information. Implications of these results for further work are offered.

Kidder, S. Q.↗
NASA NTRS2010

Satellite Gravimetry Applied to Drought Monitoring

Near-surface wetness conditions change rapidly with the weather, which limits their usefulness as drought indicators. Deeper stores of water, including root-zone soil wetness and groundwater, portend longer-term weather trends and climate variations, thus they are well suited for quantifying droughts. However, the existing in situ networks for monitoring these variables suffer from significant discontinuities (short records and spatial undersampling), as well as the inherent human and mechanical errors associated with the soil moisture and groundwater observation. Remote sensing is a promising alternative, but standard remote sensors, which measure various wavelengths of light emitted or reflected from Earth's surface and atmosphere, can only directly detect wetness conditions within the first few centimeters of the land s surface. Such sensors include the Advanced Microwave Scanning Radiometer - Earth Observing System (AMSR-E) C-band passive microwave measurement system on the National Aeronautic and Space Administration's (NASA) Aqua satellite, and the combined active and passive L-band microwave system currently under development for NASA's planned Soil Moisture Active Passive (SMAP) satellite mission. These instruments are sensitive to water as deep as the top 2 cm and 5 cm of the soil column, respectively, with the specific depth depending on vegetation cover. Thermal infrared (TIR) imaging has been used to infer water stored in the full root zone, with limitations: auxiliary information including soil grain size is required, the TIR temperature versus soil water content curve becomes flat as wetness increases, and dense vegetation and cloud cover impede measurement. Numerical models of land surface hydrology are another potential solution, but the quality of output from such models is limited by errors in the input data and tradeoffs between model realism and computational efficiency. This chapter is divided into eight sections, the next of which describes the theory behind satellite gravimetry. Following that is a summary of the GRACE mission and how hydrological information is gleaned from its gravity products. The fourth section provides examples of hydrological science enabled by GRACE. The fifth and sixth sections list the challenging aspects of GRACE derived hydrology data and how they are being overcome, including the use of data assimilation. The seventh section describes recent progress in applying GRACE for drought monitoring, including the development of new soil moisture and drought indicator products, and that is followed by a discussion of future prospects in satellite gravimetry based drought monitoring.

Rodell, Matthew↗
DOE OSTI2024

A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method

Abstract The universal applicability of density functional approximations is limited by self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The locally scaled SIC (LSIC) method is exact for the one-electron densities, and unlike the well-known Perdew–Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation, and reduces to PZSIC method as a special case when isoorbital indicator is set to the unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method (FDM) and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM for the Coulomb potential due to the monopole and the GF for all higher-order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy than earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Determination of real machine-tool settings and minimization of real surface deviation by computerized inspection

A numerical method is developed for the minimization of deviations of real tooth surfaces from the theoretical ones. The deviations are caused by errors of manufacturing, errors of installment of machine-tool settings and distortion of surfaces by heat-treatment. The deviations are determined by coordinate measurements of gear tooth surfaces. The minimization of deviations is based on the proper correction of initially applied machine-tool settings. The contents of accomplished research project cover the following topics: (1) Descriptions of the principle of coordinate measurements of gear tooth surfaces; (2) Deviation of theoretical tooth surfaces (with examples of surfaces of hypoid gears and references for spiral bevel gears); (3) Determination of the reference point and the grid; (4) Determination of the deviations of real tooth surfaces at the points of the grid; and (5) Determination of required corrections of machine-tool settings for minimization of deviations. The procedure for minimization of deviations is based on numerical solution of an overdetermined system of n linear equations in m unknowns (m much less than n ), where n is the number of points of measurements and m is the number of parameters of applied machine-tool settings to be corrected. The developed approach is illustrated with numerical examples.

Litvin, Faydor L.↗
DOE OSTI2024

Anderson acceleration with approximate calculations: Applications to scientific computing

Here we provide rigorous theoretical bounds for Anderson acceleration (AA) that allow for approximate calculations when applied to solve linear problems. We show that, when the approximate calculations satisfy the provided error bounds, the convergence of AA is maintained while the computational time could be reduced. We also provide computable heuristic quantities, guided by the theoretical error bounds, which can be used to automate the tuning of accuracy while performing approximate calculations. For linear problems, the use of heuristics to monitor the error introduced by approximate calculations, combined with the check on monotonicity of the residual, ensures the convergence of the numerical scheme within a prescribed residual tolerance. Motivated by the theoretical studies, we propose a reduced variant of AA, which consists in projecting the least-squares used to compute the Anderson mixing onto a subspace of reduced dimension. The dimensionality of this subspace adapts dynamically at each iteration as prescribed by the computable heuristic quantities. We numerically show and assess the performance of AA with approximate calculations on: (i) linear deterministic fixed-point iterations arising from the Richardson's scheme to solve linear systems with open-source benchmark matrices with various preconditioners and (ii) non-linear deterministic fixed-point iterations arising from non-linear time-dependent Boltzmann equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Coupling Approaches with Non-matching Grids for Classical Linear Elasticity and Bond-based Peridynamic Models in 1D

Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. To facilitate the coupling of the two models, non-matching grids are often desirable as nonlocal grids usually require a finer resolution than local grids. In that case, it is often convenient to resort to interpolation operators so that models can exchange information in the overlap regions when nodes from the two grids do not coincide. This paper studies three existing coupling approaches, namely 1) a method that enforces matching displacements in an overlap region, 2) a variant that enforces a constraint on the stresses instead, and 3) a method that considers a variable horizon in the vicinity of the interfaces. Further, the effect of the interpolation order and of the grid ratio on the performance of the three coupling methods with non-matching grids is carefully studied on one-dimensional examples using polynomial manufactured solutions. The numerical results show that the degree of the interpolants should be chosen with care to avoid introducing additional modeling errors, or simply minimize these errors, in the coupling approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A numerical extension of the spatially-filtered Euler equations for contact discontinuities

Solving the spatially-filtered Euler equations with a kinetic energy-preserving centered discretization is an efficient framework for simulating shock-dominated flows. Here, the present work describes a numerical treatment of the spatially-filtered Euler equations to minimize oscillations when simulating contact discontinuities. To counteract dispersive errors inherent to centered schemes, a WENO-like correction term is applied to the enthalpy transport in the energy equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Accelerating gradient descent and Adam via fractional gradients

Here we propose a class of novel fractional-order optimization algorithms. We define a fractional-order gradient via the Caputo fractional derivatives that generalizes integer-order gradient. We refer it to as the Caputo fractional-based gradient, and develop an efficient implementation to compute it. A general class of fractional-order optimization methods is then obtained by replacing integer-order gradients with the Caputo fractional-based gradients. To give concrete algorithms, we consider gradient descent (GD) and Adam, and extend them to the Caputo fractional GD (CfGD) and the Caputo fractional Adam (CfAdam). We demonstrate the superiority of CfGD and CfAdam on several large scale optimization problems that arise from scientific machine learning applications, such as ill-conditioned least squares problem on real-world data and the training of neural networks involving non-convex objective functions. Numerical examples show that both CfGD and CfAdam result in acceleration over GD and Adam, respectively. We also derive error bounds of CfGD for quadratic functions, which further indicate that CfGD could mitigate the dependence on the condition number in the rate of convergence and results in significant acceleration over GD.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Statistical and systematic uncertainties in extracting the source properties of neutron star-black hole binaries with gravitational waves

Gravitational waves emitted by neutron star black hole mergers encode key properties of neutron stars - such as their size, maximum mass and spins - and black holes. However, the presence of matter and the high mass ratio makes generating long and accurate waveforms from these systems hard to do with numerical relativity, and not much is known about systematic uncertainties due to waveform modeling. In this work, we simulate gravitational waves from neutron star black hole mergers by hybridizing numerical relativity waveforms produced with the SpEC code with a recent numerical relativity surrogate NRHybSur3dq8Tidal. These signals are analyzed using a range of available waveform families, and statistical and systematic errors are reported. We find that at a network signal-to-noise ratio (SNR) of 30, statistical uncertainties are usually larger than systematic offsets, while at an SNR of 70 the two become comparable. The individual black hole and neutron star masses, as well as the mass ratios, are typically measured very precisely, though not always accurately at high SNR. At a SNR of 30 the neutron star tidal deformability can only be bound from above, while for louder sources it can be measured and constrained away from zero. All neutron stars in our simulations are non-spinning, but in no case we can constrain the neutron star spin to be smaller than ~0.4 (90% credible interval). Waveform families whose late inspiral has been tuned specifically for neutron star black hole signals typically yield the most accurate characterization of the source parameters. Their measurements are in tension with those obtained using waveform families tuned against binary neutron stars, even for mass ratios that could be relevant for both binary neutron stars and neutron star black holes mergers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Multilevel Conditional Disturbance Rejection Control for Satellite Attitude Tracking

Recently, the conditional disturbance rejection controller (CDRC) was proposed to improve control performance by leveraging disturbances that have beneficial effects on the system. However, it only considers disturbances acting on the state variable directly influenced by them. Although fast convergence of this state can be achieved with the CDRC, it may unintentionally affect the convergence of the output (i.e., the primary state). Here, in this article, a multilevel CDRC is proposed to enhance satellite attitude control performance by accounting for the effect of disturbances on both attitude (output) and angular velocity. The extended state observer is employed to estimate the lumped disturbance, including the modeling errors and external disturbances. Then, a backstepping-based controller with the multilevel disturbance rejection law (ML-DRL) is designed for attitude tracking. The ML-DRL is developed to improve the control performance by using a disturbance with a damping effect on both attitude and velocity. Faster convergence of attitude and velocity can be achieved by conditionally compensating for the disturbance. The stability of the proposed control method is analyzed by demonstrating that the errors are bounded as time tends to infinity. The attitude control performance of the proposed method is evaluated through numerical examples conducted using the MATLAB/Simulink Multibody tool.

Active disturbance rejection control (ADRC)↗
DOE OSTI2020

An Algebraic Sparsified Nested Dissection Algorithm Using Low-Rank Approximations

Here, we propose a new algorithm for the fast solution of large, sparse, symmetric positive-definite linear systems, spaND (sparsified Nested Dissection). It is based on nested dissection, sparsification, and low-rank compression. After eliminating all interiors at a given level of the elimination tree, the algorithm sparsifies all separators corresponding to the interiors. This operation reduces the size of the separators by eliminating some degrees of freedom but without introducing any fill-in. This is done at the expense of a small and controllable approximation error. The result is an approximate factorization that can be used as an efficient preconditioner. We then perform several numerical experiments to evaluate this algorithm. We demonstrate that a version using orthogonal factorization and block-diagonal scaling takes fewer CG iterations to converge than previous similar algorithms on various kinds of problems. Furthermore, this algorithm is provably guaranteed to never break down and the matrix stays symmetric positive-definite throughout the process. We evaluate the algorithm on some large problems show it exhibits near-linear scaling. The factorization time is roughly $\mathcal{O}$(N), and the number of iterations grows slowly with N.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Deep potential development of transition-metal-rich carbides

In this study, we developed DeepPot-SE type potentials according to the High-Entropy Strategy for Cr 23 C 6 , Fe 23 C 6 , W 23 C 6 , and Mo 23 C 6 systems. Predictive molecular dynamics are then conducted according to various elastic and mechanical properties. Training dataset accuracy is confirmed both numerically and visually. Elastic constants, Poisson Ratio, and bulk modulus are determined and compared to the literature with percent errors ranging between 0.45 and 13.33%. Ground-state lattice constants yield 0.111–1.375% percent error. Linear lattice constant thermal expansion trends are found from 300 to 1500 K as expected. Melting behaviors with clear melting points are observed for each binary. Here, the Birch–Murnaghan Equation of State is suitably fit, providing additional verification of the bulk modulus calculations. Polycrystalline thermal stability is also verified for each binary potential.

36 MATERIALS SCIENCE↗