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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 361 records · Page 20

Addendum to SAND2023-09604 Xyce lumped-element transmission line model verification to support Empire-Cable cable SGEMP analyses

This report supplements the Verification of Empire-Cable SAND report by expanding on the use of Xyce to simulate the coupling to a transmission line cable model. While Empire-Cable solves its governing equations on a high-order, finite-element mesh with an an implicit-in-time formulation, Xyce must use a first order graph for the circuit and explicit-in-time approach to be compatible with non-linear electrical device models. Thus, given the different solution methodologies in Xyce as compared to Empire-Cable, the convergence rates are expected to be different but the overall quality of the solution should be the same. The original four canonical problems studied in the Empire-Cable verification report are replicated here running in Xyce using transmission line modeling parameters from the verification report. Overall, agreement between the codes is excellent with Xyce’s convergence rates being limited mostly to first order due to the circuit network approximation of a transmission line being a first order approximation.

42 ENGINEERING↗

Multivariate normality

Sets of experimentally determined or routinely observed data provide information about the past, present and, hopefully, future sets of similarly produced data. An infinite set of statistical models exists which may be used to describe the data sets. The normal distribution is one model. If it serves at all, it serves well. If a data set, or a transformation of the set, representative of a larger population can be described by the normal distribution, then valid statistical inferences can be drawn. There are several tests which may be applied to a data set to determine whether the univariate normal model adequately describes the set. The chi-square test based on Pearson's work in the late nineteenth and early twentieth centuries is often used. Like all tests, it has some weaknesses which are discussed in elementary texts. Extension of the chi-square test to the multivariate normal model is provided. Tables and graphs permit easier application of the test in the higher dimensions. Several examples, using recorded data, illustrate the procedures. Tests of maximum absolute differences, mean sum of squares of residuals, runs and changes of sign are included in these tests. Dimensions one through five with selected sample sizes 11 to 101 are used to illustrate the statistical tests developed.

Crutcher, H. L.↗

The effect of adiabatic focusing upon charged-particle propagation in random magnetic fields

The charged particles considered are scattered by random fields while they propagate along the diverging lines of force of a spatially inhomogeneous guiding field. Their longitudinal transport is described in terms of the eigenfunctions of a Sturm-Liouville operator which incorporates the effect of adiabatic focusing along with that of scattering. The relaxation times and characteristic velocities which appear in this matrix formulation of the transport problem are graphed and tabulated. Explicit formulas which describe the particle-density profile that results from a localized impulsive injection are derived for two different regimes. In the first regime, where focusing is relatively weak, a diffusive mode of propagation is dominant, but coherent modes are also present, and they become prominent as the intensity of focusing increases. In the second regime, where focusing is strong and where diffusion does not occur, the propagation is purely coherent. The existence of this supercoherent mode of particle transport opens up many possibilities for the interpretation of astrophysical phenomena.

Earl, J. A.↗

A comparison of solar sail and ion drive trajectories for a Halley's comet rendezvous mission

According to the propulsion concept of solar sail spacecraft the thrust force is produced by the specular reflection of sunlight from a large, essentially flat, reflecting surface. The magnitude of this force is approximately 9 newtons for a perfectly reflecting sail with an area of 1 square kilometer oriented normal to the sunline at a distance of one astronomical unit from the sun. There exists a restriction in the types of orbit transfer trajectories which can be considered with this propulsion system. In the case of the second propulsion system being considered for the Halley's comet rendezvous mission, thrust is produced by the acceleration of ionized mercury atoms by an electric field. Power to the ion thrusters is supplied by lightweight solar arrays which can provide up to 100 kW of electrical power at a distance of 1 AU from the sun. Because of differing thrust constraints for the two propulsion systems, trajectories for a Halley's comet rendezvous mission are significantly different for the Ion Drive and Solar Sail spacecraft. Details concerning the trajectory characteristics are shown with the aid of a number of graphs.

Sauer, C. G., Jr.↗

Collision integrals for the interaction of the ions of nitrogen and oxygen in a plasma at high temperatures and pressures

The corrections to the transport cross-sections and collision integrals for Coulomb interactions arising from the application of realistic interaction energies of the ions of nitrogen and oxygen are investigated. Accurate potential-energy curves from an ab initio electronic-structure calculation and a semiclassical description of the scattering are used to determine the difference between the cross-sections for the real interaction forces and a Coulomb force for large values of the Debye shielding parameter. Graphs of the correction to the diffusion and viscosity-collision integrals are presented for temperatures from about 10,000 K to 150,000 K. This correction can be combined with tabulations of the collision integrals for shielded Coulomb potentials to determine the contribution of N(+)-N(+), N(+)-O(+), and O(+)-O(+) interactions to the transport properties of high-temperature air. Analytical forms are fitted to the calculated results to assist this application.

Stallcop, James R.↗

Pressure distribution over an NACA 23012 airfoil with a slotted and a plain flap

Report presents the results of pressure-distribution of an NACA 23012 airfoil equipped with a slotted flap and with a plain flap conducted in the 7 by 10-foot wind tunnel. A test installation was used in which the 7-foot-span airfoil was mounted vertically between the upper and lower sides of the closed test section so that two-dimensional flow was approximated. The pressures were measured on the upper and lower surfaces at one chord section both on the main airfoil and on the flaps for several different flap deflections and at several angles of attack. The data are presented in the form of pressure-distribution diagrams and as graphs of calculated section coefficients for the airfoil-and-flap combinations and also for the flaps alone. The results are useful for application to rib and flap structural design; in addition, the plain-flap data furnish considerable information applicable to the structural design of plain ailerons.

Wenzinger, Carl J↗

Understanding the Scalability of Bayesian Network Inference using Clique Tree Growth Curves

Bayesian networks (BNs) are used to represent and efficiently compute with multi-variate probability distributions in a wide range of disciplines. One of the main approaches to perform computation in BNs is clique tree clustering and propagation. In this approach, BN computation consists of propagation in a clique tree compiled from a Bayesian network. There is a lack of understanding of how clique tree computation time, and BN computation time in more general, depends on variations in BN size and structure. On the one hand, complexity results tell us that many interesting BN queries are NP-hard or worse to answer, and it is not hard to find application BNs where the clique tree approach in practice cannot be used. On the other hand, it is well-known that tree-structured BNs can be used to answer probabilistic queries in polynomial time. In this article, we develop an approach to characterizing clique tree growth as a function of parameters that can be computed in polynomial time from BNs, specifically: (i) the ratio of the number of a BN's non-root nodes to the number of root nodes, or (ii) the expected number of moral edges in their moral graphs. Our approach is based on combining analytical and experimental results. Analytically, we partition the set of cliques in a clique tree into different sets, and introduce a growth curve for each set. For the special case of bipartite BNs, we consequently have two growth curves, a mixed clique growth curve and a root clique growth curve. In experiments, we systematically increase the degree of the root nodes in bipartite Bayesian networks, and find that root clique growth is well-approximated by Gompertz growth curves. It is believed that this research improves the understanding of the scaling behavior of clique tree clustering, provides a foundation for benchmarking and developing improved BN inference and machine learning algorithms, and presents an aid for analytical trade-off studies of clique tree clustering using growth curves.

Mengshoel, Ole Jakob↗

Jet tagging in the Lund plane with graph networks

The identification of boosted heavy particles such as top quarks or vector bosons is one of the key problems arising in experimental studies at the Large Hadron Collider. In this article, we introduce LundNet, a novel jet tagging method which relies on graph neural networks and an efficient description of the radiation patterns within a jet to optimally disentangle signatures of boosted objects from background events. We apply this framework to a number of different benchmarks, showing significantly improved performance for top tagging compared to existing state-of-the-art algorithms. We study the robustness of the LundNet taggers to non-perturbative and detector effects, and show how kinematic cuts in the Lund plane can mitigate overfitting of the neural network to model-dependent contributions. Finally, we consider the computational complexity of this method and its scaling as a function of kinematic Lund plane cuts, showing an order of magnitude improvement in speed over previous graph-based taggers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

CEGANN: CRYSTAL EDGE GRAPH ATTENTION NEURAL NETWORK

SF-22-156 Machine learning (ML) models and applications in materials design and discovery typically involve the use of feature representations or descriptors followed by a learning algorithm that maps them to user desired properties of interest. Most popular mathematical formulation-based descriptors are not unique across atomic environments and suffer from transferability issues across different application domains and/or material classes. The CEGANN code provides a unified interface to facilitate material characterization across materials across multiple scales (from atomic to mesoscale) and diverse classes of materials ranging from metals oxides, non-metals, and even hierarchical materials such as zeolites and semi ordered materials such as mesophases. CEGANN implements a Graph Attention Network (GAT) type convolution architecture. The details of network architecture can be found in the paper https://doi.org/10.48550/arXiv.2207.10168. The software comes with pretrained examples and dataset for the classification of the following representative systems: (1) Structure-level representation such as space group (2) Structural dimensionality (e.g., bulk, 2D, clusters etc.) (3) Grain boundary identification (4) Nucleation and growth of a zeolite polymorph (5) Characterization of binary mesophases and their phase transitions (6) Growth of ice. The code is written in python programming language.

CHAN, HENRYT↗

Towards data-driven constitutive modelling for granular materials via micromechanics-informed deep learning

The analytical description of path-dependent elastic-plastic responses of a granular system is highly complicated because of continuously evolving microstructures and strain localisation within the system undergoing deformation. This study offers an alternative to the current analytical paradigm by developing micromechanics-informed machine-learning based constitutive modelling approaches for granular materials. A set of critical variables associated with the constitutive behaviour of granular materials are identified through an incremental stress-strain relationship analysis. Depending on the strategy to exploit the priori micromechanical knowledge, three different training strategies are explored. The first model uses only the measurable external variables to make stress predictions; the second model utilises a directed graph to link all the external strain sequences and internal microstructural evolution variables into a single prediction model comprised of a series of sub-mappings, and the third model explicitly integrates the physically important non-temporal properties with external strain paths into training through an enhanced Gated Recurrent Unit (GRU). These three models show satisfactory agreement with unseen test specimens based on multi-directional loading cases. The basic features and potential applications of each model are explained. Lastly, the key factors for constitutive training and limitations of the current work are also discussed in detail.

36 MATERIALS SCIENCE↗

Graph Neural Networks for low-energy event classification & reconstruction in IceCube

IceCube, a cubic-kilometer array of optical sensors built to detect atmospheric and astrophysical neutrinos between 1 GeV and 1 PeV, is deployed 1.45 km to 2.45 km below the surface of the ice sheet at the South Pole. The classification and reconstruction of events from the in-ice detectors play a central role in the analysis of data from IceCube. Reconstructing and classifying events is a challenge due to the irregular detector geometry, inhomogeneous scattering and absorption of light in the ice and, below 100 GeV, the relatively low number of signal photons produced per event. To address this challenge, it is possible to represent IceCube events as point cloud graphs and use a Graph Neural Network (GNN) as the classification and reconstruction method. The GNN is capable of distinguishing neutrino events from cosmic-ray backgrounds, classifying different neutrino event types, and reconstructing the deposited energy, direction and interaction vertex. Based on simulation, we provide a comparison in the 1 GeV–100 GeV energy range to the current state-of-the-art maximum likelihood techniques used in current IceCube analyses, including the effects of known systematic uncertainties. For neutrino event classification, the GNN increases the signal efficiency by 18% at a fixed background rate, compared to current IceCube methods. Alternatively, the GNN offers a reduction of the background (i.e. false positive) rate by over a factor 8 (to below half a percent) at a fixed signal efficiency. For the reconstruction of energy, direction, and interaction vertex, the resolution improves by an average of 13%–20% compared to current maximum likelihood techniques in the energy range of 1 GeV–30 GeV. The GNN, when run on a GPU, is capable of processing IceCube events at a rate nearly double of the median IceCube trigger rate of 2.7 kHz, which opens the possibility of using low energy neutrinos in online searches for transient events.

47 OTHER INSTRUMENTATION↗

Topological Analysis of The SPOKE Graph

The SPOKE graph [2, 6] is a sparse decorated semantic graph representing a collection of knowledge collected in many scientific databases from the fields of healthcare, biochemistry, chemistry, biology, et cetera. This knowledge graph is stored as a relational dataset decorated with metadata on each constituent vertex and edge. Formally, the graph is G(V, E, D), where V is a set of n vertices V := {1, ..., n} and edges of the form (i, j) ϵ E for i, j ϵ V, and table D that for any item in V υ E stores unstructured data such as vertex/edge type, nature of a relationship, et cetera. D(i) = {data involving vertex i ϵ V}, and D(i, j) = {data involving edge (i, j) ϵ E}. Here, we treat the graph as undirected in the sense that a direct relationship for (i, j) causes a (possibly opposite) reverse direct relationship for (j, i). The SPOKE graph G(V, E, D) is formed by processing a collection of relational datasets from medicine, chemistry, and biology, connecting many entities. Here, we analyze an instance from 2019, Spoke-20190707, where a graph file contains 6.16M edges and associated metadata and a vertex file contains 2.15M vertices and the associated metadata. There are 12 different types of vertex entities; all edge types used are implicit (see §2). There is other metadata in D on edges and vertices, but we just use the topology and the vertex labels in this report. SPOKE is growing as more knowledge is gained and more datasets are added. SPOKE is likely to grow 10x during the next phase of this project, and we therefore would like to consider topoligical analysis techniques that are scalable to several orders of magnitude larger than the current dataset (say >1B edges).

59 BASIC BIOLOGICAL SCIENCES↗

Physical parameters for three chromospherically active binaries

High-resolution spectroscopy, photoelectric radial-velocity observations, and uvby photometry are reported for three southern late-type binaries. Data obtained at ESO during 1988 and 1989 are combined with previously published results in extensive tables and graphs and analyzed in detail. HD 57853 is found to be at least a triple system with period 122.2 d and components of strongly differing luminosity; the primary component rotates rapidly (v sin i = 22 km/sec) and has an age of about 80 Myr. HD 114630 comprises two components of equal mass (at least 1.07 solar mass) and luminosity, with orbital inclination about 90 deg, period 4.23 d, rotation v sin i = about 17 km/sec, and age about 2 Gyr. HD 119285 has rotational period 12.031 d, with a K2IVe primary rotating at v sin i = 6.5 km/sec and a very low-mass secondary; its X-ray surface flux is estimated as 5.5 x 10 to the 6th erg/sq cm sec.

Saar, S. H.↗

Deciding Termination for Ancestor Match- Bounded String Rewriting Systems

Termination of a string rewriting system can be characterized by termination on suitable recursively defined languages. This kind of termination criteria has been criticized for its lack of automation. In an earlier paper we have shown how to construct an automated termination criterion if the recursion is aligned with the rewrite relation. We have demonstrated the technique with Dershowitz's forward closure criterion. In this paper we show that a different approach is suitable when the recursion is aligned with the inverse of the rewrite relation. We apply this idea to Kurth's ancestor graphs and obtain ancestor match-bounded string rewriting systems. Termination is shown to be decidable for this class. The resulting method improves upon those based on match-boundedness or inverse match-boundedness.

Geser, Alfons↗

XY vs X Mixer in Quantum Alternating Operator Ansatz for Optimization Problems with Constraints

Quantum Approximate Optimization Algorithm, further generalized as Quantum Alternating Operator Ansatz (QAOA), is a family of algorithms for combinatorial optimization problems. It is a leading candidate to run on emerging universal quantum computers to gain insight into quantum heuristics. In constrained optimization, penalties are often introduced so that the ground state of the cost Hamiltonian encodes the solution (a standard practice in quantum annealing). An alternative is to choose a mixing Hamiltonian such that the constraint corresponds to a constant of motion and the quantum evolution stays in the feasible subspace. Better performance of the algorithm is speculated due to a much smaller search space. We consider problems with a constant Hamming weight as the constraint. We also compare different methods of generating the generalized W-state, which serves as a natural initial state for the Hamming-weight constraint. Using graph-coloring as an example, we compare the performance of using XY model as a mixer that preserves the Hamming weight with the performance of adding a penalty term in the cost Hamiltonian.

quantum computing↗

Numerical models of thermally and mechanically coupled two-layer convection of highly viscous fluids

Thermal convection in the earth mantle is investigated by means of numerical simulations. The mantle models comprise two horizontal layers of viscous incompressible fluid (with identical or differing properties) separated by a fixed horizontal interface; an isothermal, fixed-heat-flux, or insulating lower boundary; and heat supplied either from below or internally (in the lower layer only, equally in both layers, or primarily in the upper layer). The mathematical formulation of the models is explained, and results for linear stability and finite-amplitude convection are presented in extensive tables and graphs and discussed in detail. Particular attention is given to the presence of thermal coupling without interface distortion in many cases, the predominance of long-wavelength cells in the finite-amplitude models, and the large (50 percent) temperature difference across the interface in all cases.

Ellsworth, Kirk↗

Network analysis of memristive device circuits: dynamics, stability and correlations

Abstract Networks with memristive devices are a potential basis for the next generation of computing devices. They are also an important model system for basic science, from modeling nanoscale conductivity to providing insight into the information-processing of neurons. The resistance in a memristive device depends on the history of the applied bias and thus displays a type of memory. The interplay of this memory with the dynamic properties of the network can give rise to new behavior, offering many fascinating theoretical challenges. But methods to analyze general memristive circuits are not well described in the literature. In this paper we develop a general circuit analysis for networks that combine memristive devices alongside resistors, capacitors and inductors and under various types of control. We derive equations of motion for the memory parameters of these circuits and describe the conditions for which a network should display properties characteristic of a resonator system. For the case of a purely memresistive network, we derive Lyapunov functions, which can be used to study the stability of the network dynamics. Surprisingly, analysis of the Lyapunov functions show that these circuits do not always have a stable equilibrium in the case of nonlinear resistance and window functions. The Lyapunov function allows us to study circuit invariances, wherein different circuits give rise to similar equations of motion, which manifest through a gauge freedom and node permutations. Finally, we identify the relation between the graph Laplacian and the operators governing the dynamics of memristor networks operators, and we use these tools to study the correlations between distant memristive devices through the effective resistance.

97 MATHEMATICS AND COMPUTING↗

Learning Hidden Structure in Multi-Fidelity Information Sources for Efficient Uncertainty Quantification (LDRD 218317)

This report summarizes the work done under the Laboratory Directed Research and Development (LDRD) project entitled "Learning Hidden Structure in Multi-Fidelity Information Sources for Efficient Uncertainty Quantification". In this project we investigated multi-fidelity strategies for fusing data from information sources of varying cost and accuracy. Most existing strategies exploit hierarchical relationships between models, for example that occur when different models are generated by refining a numerical discretization parameter. In this work we focused on encoding the relationships between information sources using directed acyclic graphs. The multi-fidelity networks can have general structure and represent a significantly greater variety of modeling relationships than recursive networks used in the current state literature. Numerical results show that a non-hierarchical multi-fidelity Monte Carlo strategy can reduce the cost of estimating uncertainty in predictions of a model of plasma expanding in a vacuum by almost two orders of magnitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗