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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Towards Smart Grids Enhanced Situation Awareness: A Bi-Level Quasi-Static State Estimation Model

Smart Grid situational awareness is provided by Energy Management Systems. A core process of these systems is State Estimation. The great majority of state estimators model the Smart Grid through a set of nonlinear algebraic equations, named the measurement model. Problem formulation considers the Gauss solution. Several model improvements have been presented regarding the Gauss solution, aiming between others to provide measurement noise robustness to the state estimation process. While considerable effort has been focused on such developments, state estimation is still constrained by the implicit modelling error, and thus inevitably vulnerable to cyber-threats. In this work, a state estimation bi-level formal model is presented towards Smart Grids enhanced situational awareness considering the concepts of synthetic measurements and innovation. Comparative test results with the state-of-the-art on the IEEE 14-bus system are presented highlighting improved situational awareness to bad data. Easy-to-implement model, without hard-to-derive parameters, built-on the classic weighted least squares solution, highlight potential aspects for real-life implementation.

cyber security↗
DOE OSTI2023

A parallel, distributed memory implementation of the adaptive sampling configuration interaction method

The many-body simulation of quantum systems is an active field of research that involves several different methods targeting various computing platforms. Many methods commonly employed, particularly coupled cluster methods, have been adapted to leverage the latest advances in modern high-performance computing. Selected configuration interaction (sCI) methods have seen extensive usage and development in recent years. However, the development of sCI methods targeting massively parallel resources has been explored only in a few research works. Here, we present a parallel, distributed memory implementation of the adaptive sampling configuration interaction approach (ASCI) for sCI. In particular, we will address the key concerns pertaining to the parallelization of the determinant search and selection, Hamiltonian formation, and the variational eigenvalue calculation for the ASCI method. Load balancing in the search step is achieved through the application of memory-efficient determinant constraints originally developed for the ASCI-PT2 method. The presented benchmarks demonstrate near optimal speedup for ASCI calculations of Cr 2 (24e, 30o) with 10 6 , 10 7 , and 3 × 10 8 variational determinants on up to 16 384 CPUs. Importantly, to the best of the authors’ knowledge, this is the largest variational ASCI calculation to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Switched electrical networks and bilinear equations

An investigation is conducted concerning the state equations which arise in the description of power processing systems. Attention is given to the role played by Lie groups and Lie algebras in the characterization of the dynamical features of the systems. The bilinear equations used for the representation of the network characteristics are discussed along with the nature of the solutions for the equations. The application of the described approaches is illustrated with the aid of a number of network examples.

Wood, J. R.↗
NASA NTRS1989

Efficient computer algebra algorithms for polynomial matrices in control design

The theory of polynomial matrices plays a key role in the design and analysis of multi-input multi-output control and communications systems using frequency domain methods. Examples include coprime factorizations of transfer functions, cannonical realizations from matrix fraction descriptions, and the transfer function design of feedback compensators. Typically, such problems abstract in a natural way to the need to solve systems of Diophantine equations or systems of linear equations over polynomials. These and other problems involving polynomial matrices can in turn be reduced to polynomial matrix triangularization procedures, a result which is not surprising given the importance of matrix triangularization techniques in numerical linear algebra. Matrices with entries from a field and Gaussian elimination play a fundamental role in understanding the triangularization process. In the case of polynomial matrices, matrices with entries from a ring for which Gaussian elimination is not defined and triangularization is accomplished by what is quite properly called Euclidean elimination. Unfortunately, the numerical stability and sensitivity issues which accompany floating point approaches to Euclidean elimination are not very well understood. New algorithms are presented which circumvent entirely such numerical issues through the use of exact, symbolic methods in computer algebra. The use of such error-free algorithms guarantees that the results are accurate to within the precision of the model data--the best that can be hoped for. Care must be taken in the design of such algorithms due to the phenomenon of intermediate expressions swell.

Baras, J. S.↗
NASA NTRS1980

Research on the application of a decoupling algorithm for structure analysis

The mathematical theory for decoupling mth-order matrix differential equations is presented. It is shown that the decoupling precedure can be developed from the algebraic theory of matrix polynomials. The role of eigenprojectors and latent projectors in the decoupling process is discussed and the mathematical relationships between eigenvalues, eigenvectors, latent roots, and latent vectors are developed. It is shown that the eigenvectors of the companion form of a matrix contains the latent vectors as a subset. The spectral decomposition of a matrix and the application to differential equations is given.

Denman, E. D.↗
NASA NTRS2017

Iterative Discrete Ordinates Solution of the Equation for the Surface-Reflected Radiance

This paper presents a new method of numerical solution of the integral equation for the radiance reflected from an anisotropic surface. The equation relates the radiance at the surface level with BRDF and solutions of the standard radiative transfer problems for a slab with no reflection on its surfaces. It is also shown that the kernel of the equation satisfies the condition of the existence of a unique solution and the convergence of the successive approximations to that solution. The developed method features two basic steps: discretization on a 2D quadrature, and solving the resulting system of algebraic equations with successive over-relaxation method based on the Gauss-Seidel iterative process. Presented numerical examples show good coincidence between the surface-reflected radiance obtained with DISORT and the proposed method. Analysis of contributions of the direct and diffuse (but not yet reflected) parts of the downward radiance to the total solution is performed. Together, they represent a very good initial guess for the iterative process. This fact ensures fast convergence. The numerical evidence is given that the fastest convergence occurs with the relaxation parameter of 1 (no relaxation). An integral equation for BRDF is derived as inversion of the original equation. The potential of this new equation for BRDF retrievals is analyzed. The approach is found not viable as the BRDF equation appears to be an ill-posed problem, and it requires knowledge the surface-reflected radiance on the entire domain of both Sun and viewing zenith angles.

Alexander Radkevich↗
DOE OSTI2023

Scalable computations for nonstationary Gaussian processes

Nonstationary Gaussian process models can capture complex spatially varying dependence structures in spatial datasets. However, the large number of observations in modern datasets makes fitting such models computationally intractable with conventional dense linear algebra. In addition, derivative-free or even first-order optimization methods can be very slow to converge when estimating many spatially varying parameters. In this paper, we present a computational framework which couples an algebraic block diagonal plus low-rank covariance matrix approximation with stochastic trace estimation to facilitate the efficient use of second-order solvers for maximum likelihood estimation of Gaussian process models with many parameters. We demonstrate the effectiveness of these methods by simultaneously fitting 192 parameters in the popular nonstationary model of Paciorek and Schervish using 107,600 sea surface temperature anomaly measurements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

The scheme machine: A case study in progress in design derivation at system levels

The Scheme Machine is one of several design projects of the Digital Design Derivation group at Indiana University. It differs from the other projects in its focus on issues of system design and its connection to surrounding research in programming language semantics, compiler construction, and programming methodology underway at Indiana and elsewhere. The genesis of the project dates to the early 1980's, when digital design derivation research branched from the surrounding research effort in programming languages. Both branches have continued to develop in parallel, with this particular project serving as a bridge. However, by 1990 there remained little real interaction between the branches and recently we have undertaken to reintegrate them. On the software side, researchers have refined a mathematically rigorous (but not mechanized) treatment starting with the fully abstract semantic definition of Scheme and resulting in an efficient implementation consisting of a compiler and virtual machine model, the latter typically realized with a general purpose microprocessor. The derivation includes a number of sophisticated factorizations and representations and is also deep example of the underlying engineering methodology. The hardware research has created a mechanized algebra supporting the tedious and massive transformations often seen at lower levels of design. This work has progressed to the point that large scale devices, such as processors, can be derived from first-order finite state machine specifications. This is roughly where the language oriented research stops; thus, together, the two efforts establish a thread from the highest levels of abstract specification to detailed digital implementation. The Scheme Machine project challenges hardware derivation research in several ways, although the individual components of the system are of a similar scale to those we have worked with before. The machine has a custom dual-ported memory to support garbage collection. It consists of four tightly coupled processes--processor, collector, allocator, memory--with a very non-trivial synchronization relationship. Finally, there are deep issues of representation for the run-time objects of a symbolic processing language. The research centers on verification through integrated formal reasoning systems, but is also involved with modeling and prototyping environments. Since the derivation algebra is basd on an executable modeling language, there is opportunity to incorporate design animation in the design process. We are looking for ways to move smoothly and incrementally from executable specifications into hardware realization. For example, we can run the garbage collector specification, a Scheme program, directly against the physical memory prototype, and similarly, the instruction processor model against the heap implementation.

Johnson, Steven D.↗
NASA NTRS1971

Principles of error detection and error correction codes

Report is reviewed which considers theoretical basis of groups, rings, fields, and vector spaces, and their relationship to algebraic coding theory. Report serves as summary for engineers and scientists involved in data handling and processing systems.

Perlman, M.↗
NASA NTRS1991

A rocket tomography measurement of the N2(+) 3914 A emission rates within an auroral arc

A rocket tomography experiment designed to measure the two-dimensional distribution of the N2(+) 3914 A volume emission rates within an auroral arc is described. A simple filter photometer on board a sounding rocket, which was launched during the ARIES auroral campaign, was used to measure the 3914 A aruoral brightnesses at elevation angles ranging from 0 to 360 deg in the plane of the rocket trajectory. The measured auroral brightnesses have been tomographically inverted to recover the local 3914 A volume emissioin rates as a function of both altitude and latitude within the arc. The tomographic inversion procedure, which is based upon a maximum probability algebraic reconstruction approach, is described, and the implications of the results for studies of auroral excitation processes are briefly discussed.

Mcdade, I. C.↗
NASA NTRS1993

Tensoral: A system for post-processing turbulence simulation data

Many computer simulations in engineering and science -- and especially in computational fluid dynamics (CFD) -- produce huge quantities of numerical data. These data are often so large as to make even relatively simple post-processing of this data unwieldy. The data, once computed and quality-assured, is most likely analyzed by only a few people. As a result, much useful numerical data is under-utilized. Since future state-of-the-art simulations will produce even larger datasets, will use more complex flow geometries, and will be performed on more complex supercomputers, data management issues will become increasingly cumbersome. My goal is to provide software which will automate the present and future task of managing and post-processing large turbulence datasets. My research has focused on the development of these software tools -- specifically, through the development of a very high-level language called 'Tensoral'. The ultimate goal of Tensoral is to convert high-level mathematical expressions (tensor algebra, calculus, and statistics) into efficient low-level programs which numerically calculate these expressions given simulation datasets. This approach to the database and post-processing problem has several advantages. Using Tensoral the numerical and data management details of a simulation are shielded from the concerns of the end user. This shielding is carried out without sacrificing post-processor efficiency and robustness. Another advantage of Tensoral is that its very high-level nature lends itself to portability across a wide variety of computing (and supercomputing) platforms. This is especially important considering the rapidity of changes in supercomputing hardware.

Dresselhaus, Eliot↗
DOE OSTI2021

Fractional Laplacian spectral approach to turbulence in a dusty plasma monolayer

This work presents an analytical investigation of anomalous diffusion and turbulence in a dusty plasma monolayer, where energy transport across scales leads to the spontaneous formation of spatially disordered patterns. Many-body simulations of 10,000-particle dusty plasma monolayers are used to demonstrate how the global dynamics depend on the statistical properties of the dust assembly for realistic laboratory conditions. We find that disorder due to variations in the dust size distribution and charge-driven nonlocal interactions resulting in anomalous dust diffusion are key factors for the onset of instabilities. The resulting dynamics exhibit features of inertial turbulence over slightly more than half a decade of scales proportional or smaller than the Debye shielding length. These processes are examined analytically using a recently developed Fractional Laplacian Spectral (FLS) technique, which identifies the active energy channels as a function of scale, disorder concentration, and features of the nonlocal-interactions. The predictions from the theoretical (spectral) analysis demonstrate agreement with the results from the many-body (kinetic) simulations, thus providing a powerful tool for the study of active turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Structured adaptive grid generation using algebraic methods

The accuracy of the numerical algorithm depends not only on the formal order of approximation but also on the distribution of grid points in the computational domain. Grid adaptation is a procedure which allows optimal grid redistribution as the solution progresses. It offers the prospect of accurate flow field simulations without the use of an excessively timely, computationally expensive, grid. Grid adaptive schemes are divided into two basic categories: differential and algebraic. The differential method is based on a variational approach where a function which contains a measure of grid smoothness, orthogonality and volume variation is minimized by using a variational principle. This approach provided a solid mathematical basis for the adaptive method, but the Euler-Lagrange equations must be solved in addition to the original governing equations. On the other hand, the algebraic method requires much less computational effort, but the grid may not be smooth. The algebraic techniques are based on devising an algorithm where the grid movement is governed by estimates of the local error in the numerical solution. This is achieved by requiring the points in the large error regions to attract other points and points in the low error region to repel other points. The development of a fast, efficient, and robust algebraic adaptive algorithm for structured flow simulation applications is presented. This development is accomplished in a three step process. The first step is to define an adaptive weighting mesh (distribution mesh) on the basis of the equidistribution law applied to the flow field solution. The second, and probably the most crucial step, is to redistribute grid points in the computational domain according to the aforementioned weighting mesh. The third and the last step is to reevaluate the flow property by an appropriate search/interpolate scheme at the new grid locations. The adaptive weighting mesh provides the information on the desired concentration of points to the grid redistribution scheme. The evaluation of the weighting mesh is accomplished by utilizing the weight function representing the solution variation and the equidistribution law. The selection of the weight function plays a key role in grid adaptation. A new weight function utilizing a properly weighted boolean sum of various flowfield characteristics is defined. The redistribution scheme is developed utilizing Non-Uniform Rational B-Splines (NURBS) representation. The application of NURBS representation results in a well distributed smooth grid by maintaining the fidelity of the geometry associated with boundary curves. Several algebraic methods are applied to smooth and/or nearly orthogonalize the grid lines. An elliptic solver is utilized to smooth the grid lines if there are grid crossings. Various computational examples of practical interest are presented to demonstrate the success of these methods.

Yang, Jiann-Cherng↗
NASA NTRS1988

Calculations of transonic flows with shocks using Newton's method and direct solver. II - Solution of Euler equations

Transonic flows with shocks are simulated using steady Euler equations and by simultaneously solving the resulting nonlinear algebraic equations using Newton's method. At each iteration, a direct solver computes the corrections and the process is repeated until convergence is achieved. The corrections and errors are reduced quadratically with the present method, allowing solutions of machine accuracy to be obtained in a few steps. Nonunique inviscid solutions and nonunique solutions of the Navier Stokes equations for quasi-one-dimensional flows in nozzles are presented. Calculations are also presented for steady two-dimensional inviscid flows around a cylinder in the transonic regime.

Hafez, M.↗
DOE OSTI2023

Deep learning symmetries and their Lie groups, algebras, and subalgebras from first principles

Abstract We design a deep-learning algorithm for the discovery and identification of the continuous group of symmetries present in a labeled dataset. We use fully connected neural networks to model the symmetry transformations and the corresponding generators. The constructed loss functions ensure that the applied transformations are symmetries and the corresponding set of generators forms a closed (sub)algebra. Our procedure is validated with several examples illustrating different types of conserved quantities preserved by symmetry. In the process of deriving the full set of symmetries, we analyze the complete subgroup structure of the rotation groups SO (2), SO (3), and SO (4), and of the Lorentz group S O ( 1 , 3 ) . Other examples include squeeze mapping, piecewise discontinuous labels, and SO (10), demonstrating that our method is completely general, with many possible applications in physics and data science. Our study also opens the door for using a machine learning approach in the mathematical study of Lie groups and their properties.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Ensemble Simulation Techniques and Fast Randomized Algorithms

The major goals of the project were to develop and analyze new ensemble simulation techniques, including trajectory stratification and preconditioned MCMC techniques, as well as develop fast numerical linear algebra techniques closely related to ensemble simulation ideas. The trajectory stratification techniques involve simulating in parallel short trajectory fragments of a Markov process confined to a specific region of space‐time and then patching together the statistics gathered to assemble estimates of very general dynamical properties. We have also developed this approach for rare event simulation and extended the techniques to applications requiring a more general framework (such as electronic structure calculations). The preconditioned MCMC techniques involve simulating multiple Markov chains in parallel and then using information from the ensemble to speed the mixing of each individual chain. The fast randomized linear algebra methods are motivated by the diffusion Monte Carlo technique, but are applicable to finding the dominant eigenvalue of (almost) general matrices. For most non‐negative matrices, the schemes result in an error (compared to the power method) that is constant in the dimension of the problem. For more general matrices, we see a very clear sublinear cost trend in computational tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1983

Three-dimensional algebraic grid generation

One of the major approaches to numerical grid generation is the explicit algebraic expression of a physical grid as a function of a uniform grid in a rectangular computational coordinate system. The algebraic methods are based on mathematical interpolation, and the primary advantages are speed and directness. The relation between interpolation and grid generation is described. For three-dimensional grid generation, transfinite interpolation using the coordinate control processes developed in the multisurface method and two-boundary technique are advocated. Grid singularities encountered in three dimensions are discussed, and the exploration of multiple overlapping grids is proposed. Some aspects of interactive algebraic grid computation in three dimensions are discussed.

Smith, R. E.↗
DOE OSTI2026

ChatMPI: LLM-Driven MPI Code Generation for HPC Workloads

The Message Passing Interface (MPI) standard plays a crucial role in enabling scientific applications for parallel computing and is an essential component in high-performance computing (HPC). However, implementing MPI code manually—especially applying a proper domain decomposition and communication pattern—is a challenging and error-prone task. We present ChatMPI, an AI assistant for MPI parallelization of sequential C codes. In our analysis, we focus on testing six essential HPC workloads, which are based on Basic Linear Algebra Subprograms levels 1, 2, and 3 as well as sparse, stencil, and iterative operations. We analyze the process of creating ChatMPI by using the ChatHPC library. This lightweight large language model (LLM)–based infrastructure enables HPC experts to efficiently create and supervise trustworthy AI capabilities for critical HPC software tasks. We study the data required for training (fine-tuning) ChatMPI to generate parallel codes that not only use MPI syntax correctly but also apply HPC techniques to reduce memory communication and maximize performance by using proper work decomposition. With a relatively small training dataset composed of a few dozen prompts and fewer than 15 minutes of fine-tuning on one node equipped with two NVIDIA H100 GPUs, ChatMPI elevates trustworthiness for MPI code generation of current LLMs (e.g., Code Llama, ChatGPT-4o and ChatGPT 5). Additionally, we evaluate the performance of the MPI codes generated by ChatMPI in comparison with the ones generated by ChatGPT-4o and ChatGPT-5. The codes generated by ChatMPI provide up to a 4 × boost in performance by using better problem decomposition, communication patterns, and HPC techniques (e.g., communication avoiding).

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗