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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Applying Quantum Computing to Simulate Power System Dynamics

Power system dynamics are generally modeled by high dimensional nonlinear differential-algebraic equations due to a large number of generators, loads, and transmission lines. Thus, its computational complexity grows exponentially with the system size. This paper demonstrates the potential use of quantum computing algorithms to model the power system dynamics. Leveraging a symbolic programming framework, we equivalently convert the power system dynamics’ differential algebraic equations (DAEs) into ordinary differential equations (ODEs), where the data of the state vector can be encoded into quantum computers via amplitude encoding. The system's nonlinearity is captured by Taylor polynomial expansion, the quantum state tensor, and Hamiltonian simulation, whereas state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can simulate the dynamics of the power system with high accuracy, whereas its complexity is polynomial in the logarithm of the system dimension. Our work also illustrates the use of scientific machine learning tools for implementing scientific computing concepts, e.g., Taylor expansion, DAEs/ODEs transform, and quantum computing solver, in the field of power engineering.

Tran, Huynh↗
NASA NTRS1999

Survey of Turbulence Models for the Computation of Turbulent Jet Flow and Noise

The report presents an overview of jet noise computation utilizing the computational fluid dynamic solution of the turbulent jet flow field. The jet flow solution obtained with an appropriate turbulence model provides the turbulence characteristics needed for the computation of jet mixing noise. A brief account of turbulence models that are relevant for the jet noise computation is presented. The jet flow solutions that have been directly used to calculate jet noise are first reviewed. Then, the turbulent jet flow studies that compute the turbulence characteristics that may be used for noise calculations are summarized. In particular, flow solutions obtained with the k-e model, algebraic Reynolds stress model, and Reynolds stress transport equation model are reviewed. Since, the small scale jet mixing noise predictions can be improved by utilizing anisotropic turbulence characteristics, turbulence models that can provide the Reynolds stress components must now be considered for jet flow computations. In this regard, algebraic stress models and Reynolds stress transport models are good candidates. Reynolds stress transport models involve more modeling and computational effort and time compared to algebraic stress models. Hence, it is recommended that an algebraic Reynolds stress model (ASM) be implemented in flow solvers to compute the Reynolds stress components.

Nallasamy, N.↗
DOE OSTI2018

Scanning the skeleton of the 4D F-theory landscape

Using a one-way Monte Carlo algorithm from several different starting points, we get an approximation to the distribution of toric threefold bases that can be used in four-dimensional F-theory compactification. We separate the threefold bases into “resolvable” ones where the Weierstrass polynomials (f, g) can vanish to order (4, 6) or higher on codimension-two loci and the “good” bases where these (4, 6) loci are not allowed. A simple estimate suggests that the number of distinct resolvable base geometries exceeds 10 3000 , with over 10 250 “good” bases, though the actual numbers are likely much larger. We find that the good bases are concentrated at specific “end points” with special isolated values of h 1,1 that are bigger than 1,000. These end point bases give Calabi-Yau fourfolds with specific Hodge numbers mirror to elliptic fibrations over simple threefolds. The non-Higgsable gauge groups on the end point bases are almost entirely made of products of E 8 , F 4 , G 2 and SU(2). Nonetheless, we find a large class of good bases with a single non-Higgsable SU(3). Moreover, by randomly contracting the end point bases, we find many resolvable bases with h 1,1 (B) ~ 50-200 that cannot be contracted to another smooth threefold base.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Polynomial reduction and evaluation of tree- and loop-level CHY amplitudes

We develop a polynomial reduction procedure that transforms any gauge fixed CHY amplitude integrand for n scattering particles into a σ-moduli multivariate polynomial of what we call the standard form . We show that a standard form polynomial must have a specific ladder type monomial structure, which has finite size at any n, with highest multivariate degree given by (n – 3)(n – 4)/2. This set of monomials spans a complete basis for polynomials with rational coefficients in kinematic data on the support of scattering equations. Subsequently, at tree and one-loop level, we employ the global residue theorem to derive a prescription that evaluates any CHY amplitude by means of collecting simple residues at infinity only. Furthermore, the prescription is then applied explicitly to some tree and one-loop amplitude examples.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Learning non-Higgsable gauge groups in 4D F-theory

We apply machine learning techniques to solve a specific classification problem in 4D F-theory. For a divisor D on a given complex threefold base, we want to read out the non-Higgsable gauge group on it using local geometric information near D. The input features are the triple intersection numbers among divisors near D and the output label is the non-Higgsable gauge group. We use decision tree to solve this problem and achieved 85%-98% out-of-sample accuracies for different classes of divisors, where the data sets are generated from toric threefold bases without (4,6) curves. We have explicitly generated a large number of analytic rules directly from the decision tree and proved a small number of them. As a crosscheck, we applied these decision trees on bases with (4,6) curves as well and achieved high accuracies. Additionally, we have trained a decision tree to distinguish toric (4,6) curves as well. Finally, we present an application of these analytic rules to construct local base configurations with interesting gauge groups such as SU(3).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Positive geometries and canonical forms

Recent years have seen a surprising connection between the physics of scattering amplitudes and a class of mathematical objects — the positive Grassmannian, positive loop Grassmannians, tree and loop Amplituhedra — which have been loosely referred to as “positive geometries”. The connection between the geometry and physics is provided by a unique differential form canonically determined by the property of having logarithmic singularities (only) on all the boundaries of the space, with residues on each boundary given by the canonical form on that boundary. The structures seen in the physical setting of the Amplituhedron are both rigid and rich enough to motivate an investigation of the notions of “positive geometries” and their associated “canonical forms” as objects of study in their own right, in a more general mathematical setting. In this paper we take the first steps in this direction. We begin by giving a precise definition of positive geometries and canonical forms, and introduce two general methods for finding forms for more complicated positive geometries from simpler ones — via “triangulation” on the one hand, and “push-forward” maps between geometries on the other. We present numerous examples of positive geometries in projective spaces, Grassmannians, and toric, cluster and flag varieties, both for the simplest “simplex-like” geometries and the richer “polytope-like” ones. We also illustrate a number of strategies for computing canonical forms for large classes of positive geometries, ranging from a direct determination exploiting knowledge of zeros and poles, to the use of the general triangulation and push-forward methods, to the representation of the form as volume integrals over dual geometries and contour integrals over auxiliary spaces. These methods yield interesting representations for the canonical forms of wide classes of positive geometries, ranging from the simplest Amplituhedra to new expressions for the volume of arbitrary convex polytopes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Elementary Equivalence of Endomorphism Monoids of Almost Free S-Acts

In this paper, we study the connection between elementary equivalence of endomorphism monoids of almost free S-acts (acts that are unions of projective indecomposable cyclic S-acts) and equivalence (in first- or second-order logic) of original monoids.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

In-depth analysis on parallel processing patterns for high-performance Dataframes

The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its efficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Mesh-free data transfer algorithms for partitioned multiphysics problems: Conservation, accuracy, and parallelism

In this study we analyze and extend mesh-free algorithms for three-dimensional data transfer problems in partitioned multiphysics simulations. We first provide a direct comparison between a mesh-based weighted residual method using the common-refinement scheme and two mesh-free algorithms leveraging compactly supported radial basis functions: one using a spline interpolation and one using a moving least square reconstruction. Through the comparison we assess both the conservation and accuracy of the data transfer obtained from each of the methods. We do so for a varying set of geometries with and without curvature and sharp features and for functions with and without smoothness and with varying gradients. Our results show that the mesh-based and mesh-free algorithms are complementary with cases where each was demonstrated to perform better than the other. We then focus on the mesh-free methods by developing a set of algorithms to parallelize them based on sparse linear algebra techniques. This includes a discussion of fast parallel radius searching in point clouds and restructuring the interpolation algorithms to leverage data structures and linear algebra services designed for large distributed computing environments. The scalability of our new algorithms is demonstrated on a leadership class computing facility using a set of basic scaling studies. Finally, these scaling studies show that for problems with reasonable load balance, our new algorithms for both spline interpolation and moving least square reconstruction demonstrate both strong and weak scalability using more than 100,000 MPI processes with billions of degrees of freedom in the data transfer operation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Stochastic evaluation of fourth-order many-body perturbation energies

A scalable, stochastic algorithm evaluating the fourth-order many-body perturbation (MP4) correction to energy is proposed. Three hundred Goldstone diagrams representing the MP4 correction are computer generated and then converted into algebraic formulas expressed in terms of Green’s functions in real space and imaginary time. They are evaluated by the direct (i.e., non-Markov, non-Metropolis) Monte Carlo (MC) integration accelerated by the redundant-walker and control-variate algorithms. The resulting MC-MP4 method is efficiently parallelized and is shown to display O(n 5.3 ) size-dependence of cost, which is nearly two ranks lower than the O(n 7 ) dependence of the deterministic MP4 algorithm. Furthermore, it evaluates the MP4/aug-cc-pVDZ energy for benzene, naphthalene, phenanthrene, and corannulene with the statistical uncertainty of 10 mE h (1.1% of the total basis-set correlation energy), 38 mE h (2.6%), 110 mE h (5.5%), and 280 mE h (9.0%), respectively, after about 10 9 MC steps.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Integrability, normal forms, and magnetic axis coordinates

Integrable or near-integrable magnetic fields are prominent in the design of plasma confinement devices. Such a field is characterized by the existence of a singular foliation entirely consisting of invariant submanifolds. A compact regular leaf (a flux surface) of this foliation must be diffeomorphic to the two-torus. In a neighborhood of a flux surface, it is known that the magnetic field admits several exact smooth normal forms in which the field lines are straight. However, these normal forms break down near singular leaves, including elliptic and hyperbolic magnetic axes. In this work, the existence of exact smooth normal forms for integrable magnetic fields near elliptic and hyperbolic magnetic axes is established. In the elliptic case, smooth near-axis Hamada and Boozer coordinates are defined and constructed. Ultimately, these results establish previously conjectured smoothness properties for smooth solutions of the magnetohydrodynamic equilibrium equations. The key arguments are a consequence of a geometric reframing of integrability and magnetic fields: they are presymplectic systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Analog and symbolic computation through the Koopman framework

We develop a Koopman operator framework for studying the computational structure of dynamical systems. Specifically, we show that the resolvent of the Koopman operator provides a natural abstraction of halting, yielding a ‘Koopman halting problem’ that is recursively enumerable in general. For symbolic systems, such as those defined on Cantor space, this operator formulation captures reachability between clopen sets, while for equicontinuous systems we prove that the Koopman halting problem is decidable. Our framework demonstrates that absorbing (halting) states in coarse-grained finite automata correspond to Koopman eigenfunctions with eigenvalue one, while cycles in the transition graph impose spectral constraints associated with periodic dynamics. These results provide a unifying perspective on computation in symbolic and analog systems, showing how computational universality is reflected in operator spectra, invariant subspaces, and algebraic structures. Beyond symbolic dynamics, this operator-theoretic lens opens pathways to analyze the computational properties of a broader class of dynamical systems, including polynomial and analog models, and suggests that computational hardness may admit dynamical signatures in terms of Koopman spectral structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Efficient Unitary Designs from Random Sums and Permutations

A unitary k-design is an ensemble of unitaries that matches the first k moments of the Haar measure. In this work, we provide two efficient constructions of k-designs on n-qubits using new random matrix theory techniques. Our first construction is based on exponentiating sums of random i.i.d. Hermitian matrices and uses O(k2n2)-many gates. In the spirit of central limit theorems, we show that this random sum approximates the Gaussian Unitary Ensemble (GUE). We then show that the product of just two exponentiated GUE matrices is already approximately Haar random. Our second construction is based on products of exponentiated sums of random permutations and uses Õ(k poly (n)) many gates. The k dependence is optimal (up to polylogarithmic factors) and is inherited from the efficiency of existing k-wise independent permutations. Furthermore, replacing random permutations with quantum-secure pseudorandom permutations (PRPs), we also obtain a pseudorandom unitary (PRU) ensemble that is secure under nonadaptive queries. A central feature of both proofs is a new connection between the polynomial method in quantum query complexity and the large-dimension (N) expansion in random matrix theory. In particular, the first construction uses the polynomial method to control high moments of certain random matrix ensembles without requiring delicate Weingarten calculations. In doing so, we define and solve a moment problem on the unit circle, asking whether a finite number of equally weighted points can reproduce a given set of moments. In our second construction, the key step is to exhibit an orthonormal basis for irreducible representations of the partition algebra that has a low-degree large-N expansion. This allows us to show that the distinguishing probability is a low-degree rational polynomial of the dimension N.

algebra↗
DOE OSTI2016

Mathematical foundations of the GraphBLAS

The GraphBLAS standard (GraphBlas.org) is being developed to bring the potential of matrix-based graph algorithms to the broadest possible audience. Mathematically, the GraphBLAS defines a core set of matrix-based graph operations that can be used to implement a wide class of graph algorithms in a wide range of programming environments. This study provides an introduction to the mathematics of the GraphBLAS. Graphs represent connections between vertices with edges. Matrices can represent a wide range of graphs using adjacency matrices or incidence matrices. Adjacency matrices are often easier to analyze while incidence matrices are often better for representing data. Fortunately, the two are easily connected by matrix multiplication. A key feature of matrix mathematics is that a very small number of matrix operations can be used to manipulate a very wide range of graphs. This composability of a small number of operations is the foundation of the GraphBLAS. A standard such as the GraphBLAS can only be effective if it has low performance overhead. Finally, performance measurements of prototype GraphBLAS implementations indicate that the overhead is low.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1975

Theory of Enceladus and Dione

A new theory of the motion of Enceladus and Dione is under development. The theory is in literal form, with all constants and parameters appearing explicitly, and is being computed with the aid of the algebraic manipulation system TRIGMAN. The development of the disturbing function; the elimination of the short-period terms; and the resonant Hamiltonian and the constants of integration are discussed. An important feature is that the programs have been written in such a manner that, with only minor modification, they should be able to develop the theories of Mimas-Tethys and Titan-Hyperion as well.

Jefferys, W. H.↗
NASA NTRS1977

Proceedings of the 1977 MACSYMA users' conference (NASA)

The MACSYMA program for symbolic and algebraic manipulation enables exact, symbolic mathematical computations to be performed on a computer. This program is rather large, and various approaches to the hardware and software problems are examined.

Source record↗
NASA NTRS1977

Computerized tomography using video recorded fluoroscopic images

The use of video-recorded fluoroscopic images as input data for digital reconstruction of objects from their projections is examined. The fluoroscopic and the scanning apparatus used for the experiments are of a commercial type already in existence in most hospitals. It is shown that for beams with divergence up to about 15 deg, one can use a convolution algorithm designed for the parallel radiation case with negligible degradation both quantitatively and from a visual quality standpoint. This convolution algorithm is computationally more efficient than either the algebraic techniques or the convolution algorithms for radially diverging data. Results from studies on Lucite phantoms and a freshly sacrificed rat are included.

Kak, A. C.↗