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Results for “numerical algorithm 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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Component based development of computer-aided tools for different applications

Computer-aided methods and tools are used at different stages of chemical process development. However new tools are needed to meet the current and future challenges through innovative and more sustainable solutions that the currently available tools may not be able to provide. This work focuses on component-based software architecture for development of tailor-made computer-aided tools for specific application objectives. The architecture is based on “components”, which can be model-objects that are stored in a library; collection of property models; databases; numerical solvers; design-algorithms (work-flows) etc. Furthermore, the main idea of these components is to incorporate a plug & play framework, where for a specific purpose, after the work-flow and associated data-flow are established, a specific computer-aided tool can be configured through a library of software components. Also, through the use of software components that are based on predictive model-based solution techniques, the final software can be reliably used to provide innovative and more sustainable solutions over a wide range of problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

A Strassen-Newton algorithm for high-speed parallelizable matrix inversion

Techniques are described for computing matrix inverses by algorithms that are highly suited to massively parallel computation. The techniques are based on an algorithm suggested by Strassen (1969). Variations of this scheme use matrix Newton iterations and other methods to improve the numerical stability while at the same time preserving a very high level of parallelism. One-processor Cray-2 implementations of these schemes range from one that is up to 55 percent faster than a conventional library routine to one that is slower than a library routine but achieves excellent numerical stability. The problem of computing the solution to a single set of linear equations is discussed, and it is shown that this problem can also be solved efficiently using these techniques.

Bailey, David H.↗
NASA NTRS1979

A split finite element algorithm for the compressible Navier-Stokes equations

An accurate and efficient numerical solution algorithm is established for solution of the high Reynolds number limit of the Navier-Stokes equations governing the multidimensional flow of a compressible essentially inviscid fluid. Finite element interpolation theory is used within a dissipative formulation established using Galerkin criteria within the Method of Weighted Residuals. An implicit iterative solution algorithm is developed, employing tensor product bases within a fractional steps integration procedure, that significantly enhances solution economy concurrent with sharply reduced computer hardware demands. The algorithm is evaluated for resolution of steep field gradients and coarse grid accuracy using both linear and quadratic tensor product interpolation bases. Numerical solutions for linear and nonlinear, one, two and three dimensional examples confirm and extend the linearized theoretical analyses, and results are compared to competitive finite difference derived algorithms.

Baker, A. J.↗
DOE OSTI2018

A modified iterative method for split problem of variational inclusions and fixed point problems

In this paper, we study a new split problem of variational inclusions and fixed point problems. With the help of averaged mappings, we introduce a new iterative method to solve the stated split problem. Strong convergence results are obtained under mild conditions. Also, we present some preliminary numerical examples to demonstrate the convergence and efficiency of our proposed algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Relative entropy minimization over Hilbert spaces via Robbins-Monro

One way of getting insight into non-Gaussian measures is to first obtain good Gaussian approximations. These best fit Gaussians can then provide a sense of the mean and variance of the distribution of interest. They can also be used to accelerate sampling algorithms. This begs the question of how one should measure optimality, and how to then obtain this optimal approximation. Here, we consider the problem of minimizing the distance between a family of Gaussians and the target measure with respect to relative entropy, or Kullback-Leibler divergence. As we are interested in applications in the infinite dimensional setting, it is desirable to have convergent algorithms that are well posed on abstract Hilbert spaces. We examine this minimization problem by seeking roots of the first variation of relative entropy, taken with respect to the mean of the Gaussian, leaving the covariance fixed. We prove the convergence of Robbins-Monro type root finding algorithms in this context, highlighting the assumptions necessary for convergence to relative entropy minimizers. Numerical examples are included to illustrate the algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Image reconstruction from sparse data ion synchrotron-radiation-based micro-tomography.

Synchrotron-radiation-based microcomputed-tomography (SR-{micro}CT) is a powerful tool for yielding 3D structural information of high spatial and contrast resolution about a specimen preserved in its natural state. A large number of projection views are required currently for yielding SR-{micro}CT images by use of existing algorithms without significant artifacts. When a wet biological specimen is imaged, synchrotron x-ray radiation from a large number of projection views can result in significant structural deformation within the specimen. A possible approach to reducing imaging time and specimen deformation is to decrease the number of projection views. In the work, using reconstruction algorithms developed recently for medical computed tomography (CT), we investigate and demonstrate image reconstruction from sparse-view data acquired in SR-{micro}CT. Numerical results of our study suggest that images of practical value can be obtained from data acquired at a number of projection views significantly lower than those used currently in a typical SR-{micro}CT imaging experiment.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

We present a special symmetric Lanczos algorithm and a kernel polynomial method (KPM) for approximating the absorption spectrum of molecules within the linear response time-dependent density functional theory (TDDFT) framework in the product form. In contrast to existing algorithms, the new algorithms are based on reformulating the original non-Hermitian eigenvalue problem as a product eigenvalue problem and the observation that the product eigenvalue problem is self-adjoint with respect to an appropriately chosen inner product. This allows a simple symmetric Lanczos algorithm to be used to compute the desired absorption spectrum. The use of a symmetric Lanczos algorithm only requires half of the memory compared with the nonsymmetric variant of the Lanczos algorithm. The symmetric Lanczos algorithm is also numerically more stable than the nonsymmetric version. The KPM algorithm is also presented as a low-memory alternative to the Lanczos approach, but the algorithm may require more matrix-vector multiplications in practice. We discuss the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost. Applications to a set of small and medium-sized molecules are also presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Solving k –SAT problems with generalized quantum measurement

We generalize the projection–based quantum measurement–driven k –SAT algorithm of Benjamin, Zhao, and Fitzsimons to arbitrary strength quantum measurements, including the limit of continuous monitoring. In doing so, we clarify that this algorithm is a particular case of the measurement–driven quantum control strategy elsewhere referred to as “Zeno dragging”. We argue that the algorithm is most efficient with finite time and measurement resources in the continuum limit, where measurements have an infinitesimal strength and duration. Moreover, for solvable k -SAT problems, the dynamics generated by the algorithm converge deterministically towards target dynamics in the long–time (Zeno) limit, implying that the algorithm can successfully operate autonomously via Lindblad dissipation, without detection. We subsequently study both the conditional and unconditional dynamics of the algorithm implemented via generalized measurements, quantifying the advantages of detection for heralding errors. These strategies are investigated first in a computationally–trivial 2-qubit 2-SAT problem to build intuition, and then we consider the scaling of the algorithm on 3-SAT problems encoded with 4–10 qubits. We numerically investigate the scaling of 3-SAT with respect to algorithmic runtime and find that the optimized time to solution scales with qubit number n as λ n , where λ is slightly larger than $\sqrt{2}$ for unconditional dynamics and less than $\sqrt{2}$ for conditional dynamics. We assess the implications for using this analog measurement–driven approach to quantum computing in practice.

quantum information↗
DOE OSTI2015

On the Design, Development, and Analysis of Optimized Matrix-Vector Multiplication Routines for Coprocessors

The manycore paradigm shift, and the resulting change in modern computer architectures, has made the development of optimal numerical routines extremely challenging. In this work, we target the development of numerical algorithms and implementations for Xeon Phi coprocessor architecture designs. In particular, we examine and optimize the general and symmetric matrix-vector multiplication routines (gemv/symv), which are some of the most heavily used linear algebra kernels in many important engineering and physics applications. We describe a successful approach on how to address the challenges for this problem, starting with our algorithm design, performance analysis and programing model and moving to kernel optimization. Our goal, by targeting low-level and easy to understand fundamental kernels, is to develop new optimization strategies that can be effective elsewhere for use on manycore coprocessors, and to show significant performance improvements compared to existing state-of-the-art implementations. Therefore, in addition to the new optimization strategies, analysis, and optimal performance results, we finally present the significance of using these routines/strategies to accelerate higher-level numerical algorithms for the eigenvalue problem (EVP) and the singular value decomposition (SVD) that by themselves are foundational for many important applications.

Kabir, Khairul↗
DOE OSTI2018

Geologic CO 2 sequestration monitoring design: A machine learning and uncertainty quantification based approach

Monitoring is a crucial aspect of geologic carbon dioxide (CO 2 ) sequestration risk management. Effective monitoring is critical to ensure CO 2 is safely and permanently stored throughout the life-cycle of a geologic CO 2 sequestration project. Effective monitoring involves deciding: (i) where is the optimal location to place the monitoring well(s), and (ii) what type of data (pressure, temperature, CO 2 saturation, etc.) should be measured taking into consideration the uncertainties at geologic sequestration sites. We have developed a filtering-based data assimilation procedure to design effective monitoring approaches. To reduce the computational cost of the filtering-based data assimilation process, a machine-learning algorithm: Multivariate Adaptive Regression Splines is used to derive computationally effcient reduced order models from results of full-physics numerical simulations of CO 2 injection in saline aquifer and subsequent multi-phase fluid flow. We use example scenarios of CO 2 leakage through legacy wellbore and demonstrate a monitoring strategy can be selected with the aim of reducing uncertainty in metrics related to CO 2 leakage. We demonstrate the proposed framework with two synthetic examples: a simple validation case and a more complicated case including multiple monitoring wells. The examples demonstrate that the proposed approach can be effective in developing monitoring approaches that take into consideration uncertainties.

58 GEOSCIENCES↗
DOE OSTI2024

On the role of Battery Energy Storage Systems in the day-ahead Contingency-Constrained Unit Commitment problem under renewable penetration

The integration of variable Renewable Energy Sources (vRES) to alleviate greenhouse gas emissions has introduced significant challenges for power systems operations. These challenges include high levels of uncertainty due to the intermittence associated with vRES and therefore impose the need to devise a reliable and cost-effective day-ahead unit commitment and power and reserves scheduling for real-time operations. Also, this increasing penetration of vRES requires higher ramping capabilities from units originally designed for other purposes (e.g., base-load generation), which might be exacerbated during contingency states. Hence, in this work, we propose a methodology to address the day-ahead Contingency-Constrained Unit Commitment (CCUC) problem that leverages the participation of Battery Energy Storage Systems (BESSs) to address load-following and post-contingency management, therefore alleviating the ramping burden on conventional thermal generators. To do so, we formulate a three-level optimization problem that represents the decision-making process of obtaining the least-cost commitment, generation and reserves scheduling, while restricting the Conditional Value-at-Risk (CVaR) of the system imbalance at real-time operations to user-defined tolerance levels. In addition, we devise a computationally efficient solution approach for the proposed problem based on the Column-and Constraint Generation (CCG) algorithmic framework. Two numerical experiments are conducted to empirically illustrate the benefits of the proposed methodology. Key results indicate a reduction in real-time ramping needs and a better usage of the system resources, with a reduction in the overall system commitment levels and reserve scheduling costs when compared to a benchmark case in which storage is not available.

Moreira, Alexandre↗
NASA NTRS1981

Theory, computation, and application of exponential splines

A generalization of the semiclassical cubic spline known in the literature as the exponential spline is discussed. In actuality, the exponential spline represents a continuum of interpolants ranging from the cubic spline to the linear spline. A particular member of this family is uniquely specified by the choice of certain tension parameters. The theoretical underpinnings of the exponential spline are outlined. This development roughly parallels the existing theory for cubic splines. The primary extension lies in the ability of the exponential spline to preserve convexity and monotonicity present in the data. Next, the numerical computation of the exponential spline is discussed. A variety of numerical devices are employed to produce a stable and robust algorithm. An algorithm for the selection of tension parameters that will produce a shape preserving approximant is developed. A sequence of selected curve-fitting examples are presented which clearly demonstrate the advantages of exponential splines over cubic splines.

Mccartin, B. J.↗
NASA NTRS1984

One-dimensional unsteady modeling of supersonic inlet unstart/restart

A quasi-one-dimensional unsteady inviscid analysis of mixed-compression supersonic inlet flow is presented with emphasis on modeling of inlet unstart/restart phenomena. Numerical solution of the governing equations of motion is performed using a computationally efficient shock-capturing split-characteristics algorithm. Inlet unstart is modeled using a mass balance method which relates the expelled normal shock position ahead of the inlet cowl to the amount of spilled mass flow over the inlet housing. Comparison of computed results with experimental data for an axisymmetric inlet at a free-stream Mach number of 2.50 shows quite reasonable agreement over an entire unstart/restart transient which includes centerbody translation and retraction as well as bypass mass flow variations.

Adams, J. C., Jr.↗
NASA NTRS1984

Second-order-accurate spatial differencing for the transonic small-disturbance equation

Current methods for calculating transonic flows with the small-disturbance potential equation are typically only first-order accurate in the supersonic regions of the flow. However, calculations using the full-potential equation show significant improvements in accuracy when second-order methods are used instead of first-order methods. In this paper, algorithms for the small-disturbance equations are presented, for both steady and unsteady flows, with spatial differencing that is second-order accurate in both the subsonic and supersonic regions of the flow. These algorithms are stable, simple extensions of implicit monotone algorithms; the former are only first-order accurate spatially in the supersonic regions. Several calculations in one and two dimensions have been made, and the first- and second-order calculations are compared. In one dimension, the calculations include the four types of shock-wave motion. In two dimensions, the comparisons include steady flow over a Korn airfoil and unsteady flow over a pitching airfoil. All the comparisons in two dimensions show that the new methods are just as stable numerically as the old methods, but improve the accuracy of the solutions. The algorithm improvements can be implemented in present computer codes by making minor coding modifications.

Goorjian, P. M.↗
NASA NTRS1984

Microwave radiances from precipitating clouds containing aspherical ice, combined phase, and liquid hydrometeors

A numerical algorithm based on Eddington's second approximation to the equation of radiative transfer has been developed in order to compute the radiances with horizontal and vertical polarization that emerge from precipitating clouds. This algorithm yields a rapid solution to problems pertaining to clouds with vertically inhomogeneous structure. Precipitating clouds containing liquid, mixtures of phases, and ice hydrometeors are modelled. It is shown that the lower-frequency radiances are sensitive to liquid precipitation at low altitudes while the higher-frequency radiances are more sensitive to the ice hydrometeors at the cloud tops. The extinction coefficients of aspherical hydrometeors are presented as a function of rainfall rates. The fact that vertically polarized radiances are warmer than horizontally polarized ones at high rainfall rates, with the difference diminishing at lower frequencies, is due to aspherical ice hydrometeors in the upper regions of precipitating clouds.

Wu, R.↗
NASA NTRS1984

Non-Gaussian approach for parametric random vibration of non-linear structures

The dynamic response of a nonlinear, single degree of freedom structural system subjected to a physically white noise parametric excitation is investigated. The Ito stochastic calculus is employed to derive a general differential equation for the moments of the response coordinates. The differential equations of moments of any order are found to be coupled with higher order moments. A non-Gaussian closure scheme is developed to truncate the moment equations up to fourth order. The statistical of the stationary response are computed numerically and compared with analytical solutions predicted by a Gaussian closure scheme and the stochastic averaging method. It is found that the computed results exhibit the jump phenomenon which is typical of the characteristics of deterministic nonlinear systems. In addition, the numerical algorithm leads to multiple solutions all of which give positive mean squares. However, two of these solutions are found to violate the properties of high order moments. One solution preserves the moments properties and demonstrates that the system achieves a stationary response.

Ibrahim, R. A.↗
NASA NTRS1985

Implicit finite-difference methods for the Euler equations

The present paper is concerned with two-dimensional Euler equations and with schemes which are in use of the time of this writing. Most of the development presented carries over directly to three dimensions. The characteristics of the two-dimensional Euler equations in Cartesian coordinates are considered along with generalized curvilinear coordinate transformations, metric relations, invariants of the transformation, flux Jacobian matrices and eigensystems, numerical algorithms, flux split algorithms, implicit and explicit nonlinear control (smoothing), upwind differencing in supersonic regions, unsteady and steady-state computation, the diagonal form of implicit algorithm, metric differencing and invariants, boundary conditions, geometry and mesh generation, and sample solutions.

Pulliam, T. H.↗