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All sources NASA NTRS DOE OSTI

DOE OSTI2017

Characteristics of Muon Computed Tomography of Used Fuel Casks Using Algebraic Reconstruction

Cosmic raymuons passing through matter lose energy from inelastic collisions with electrons and are deflected from nuclei due to multiple Coulomb scattering (MCS). The recent developments in position sensitive muon detectors that can measure incoming and outgoing trajectories of individual muons indicate that MCS could be an excellent candidate for spent nuclear fuel imaging. The main purpose of this paper is to evaluate tomographic scanning of spent nuclear fuel stored within vertical and horizontal dry storage casks. A quantitative analysis of the characteristics of images obtained with filtered back projection (FBP) and algebraic reconstruction techniques (ART) are presented herein, as such a comparison has not been carried out in the past. FBP is a fast tool to determine object boundaries. ART can include muon path models and prior knowledge that can improve resolution and reduce measurement time. The results demonstrate that missing fuel assemblies can be identified with more than 5 projections and that use of muon momentum significantly increases image resolution. It is expected that MCS can be used to successfully reconstruct the dry cask contents and allow identification of all described scenarios in hours. It is also expected that when total variation minimization and a non-local mean filter are applied, ART may yield much better image quality than FBP.

Liu, Zhengzhi↗

DOE OSTI2017

Spectral Upscaling for Graph Laplacian Problems with Application to Reservoir Simulation

Here, we consider coarsening procedures for graph Laplacian problems written in a mixed saddle-point form. In that form, in addition to the original (vertex) degrees of freedom (dofs), we also have edge degrees of freedom. We extend previously developed aggregation-based coarsening procedures applied to both sets of dofs to now allow more than one coarse vertex dof per aggregate. Those dofs are selected as certain eigenvectors of local graph Laplacians associated with each aggregate. Additionally, we coarsen the edge dofs by using traces of the discrete gradients of the already constructed coarse vertex dofs. These traces are defined on the interface edges that connect any two adjacent aggregates. The overall procedure is a modification of the spectral upscaling procedure developed in for the mixed finite element discretization of diffusion type PDEs which has the important property of maintaining inf-sup stability on coarse levels and having provable approximation properties. We consider applications to partitioning a general graph and to a finite volume discretization interpreted as a graph Laplacian, developing consistent and accurate coarse-scale models of a fine-scale problem.

58 GEOSCIENCES↗

DOE OSTI2017

LUNUS, Version 0.1a

LUNUS software for generating 3D maps of diffuse scattering from macromolecular X-ray crystallography diffraction images. A set of tools needed for advanced refinement of crystal structures and crystallographic charge density models. Includes tools for processing X--ray diffraction images, charge density maps, and structure factors for analysis of diffuse X-ray scattering and charge density variations in crystallography. Specific methods include: elementary algebraic operations on images and 3D lattices; fourier transform of images and 3D lattices; image processing to measure diffuse intensity; crystallographic refinement; and 3D integration of diffuse intensity.

Wall, Michael↗

NASA NTRS1990

Third-sound propagation in thick films of superfluid He-4

Atkins' (1959) basic theory of third sound in thick films of superfluid He-4 is extended here to include a heat source for exciting third sound. A one-dimensional model obeying periodic boundary conditions is developed which can represent a variety of experimentally important configurations. General solutions for the model equations are found which give a complete description of third-sound waves in terms of displacement of the film surface, superfluid velocity, and temperature change as functions of space and time. Algebraic expressions for quantities that occur in general formulas are found for special excitation signals. The structure of third sound is calculated for the first time and the results are found to be inconsistent with previous findings. A direct method for accurately measuring the vaporization coefficient is also presented.

Jackson, H. W.↗

DOE OSTI2017

LUNUS, Version 0.1a

Wall, Michael↗

DOE OSTI2018

Interference in electron–molecule elastic scattering

General formulas describing the multiple scattering of electron by polyatomic molecules have been derived within the framework of the model of non-overlapping atomic potentials. These formulas are applied to different carbon molecules, both for fixed-in-space and randomly oriented molecules. Here, the molecular continuum wave function is represented as a plane wave plus a linear combination of the Green’s functions for free motion and the derivatives of these functions. Far from the target the electron spherical waves interfere as in the case of the Young’s double slits experiment. This interference manifests itself as diffraction oscillations in the differential and total cross sections for elastic electron scattering. The amplitude of electron scattering by a molecule is defined by the phase shifts for each of the atoms forming the target and its geometry. The numerical calculation of the scattering amplitude in closed form (rather than in the form of S-matrix expansion) is reduced to solving a system of algebraic equations. The number of atoms in a molecule and the atomic phase shifts for the orbital angular momenta included in the calculation define the number of equations.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Heavy-Duty Vehicle Air Drag Coefficient Estimation: From an Algebraic Perspective

When a heavy-duty vehicle (HDV) operates at the nominal highway speed, over two-thirds of its total resistive force comes from the air drag, contributing to more than half of its fuel consumption. One effective countermeasure to reduce the fuel consumption of HDVs is platooning, which employs connectivity and automated driving technologies to link two or more HDVs in convoy. Platooning allows HDVs to drive closer together and yields improved fuel economy and less CO2 emission thanks to the reduced air drag. Maximizing the energy benefits of an HDV platoon requires quantifying the drag interaction between vehicles. In practice, modeling the drag reduction in a platoon boils down to identifying the relationship between the air drag coefficient C d and the inter-vehicle distance d. Existing approaches to identify C d (d) include vehicle field tests, wind tunnel experiments, and computational fluid dynamics simulation, which can howbeit be time-consuming and cost prohibitive. In contrast, this paper proposes an algebraic approach, which relies on onboard-measurable variables, to estimate the air drag coefficient of an HDV in a platoon. Its algebraic nature avoids the classical persistence of excitation condition for parameter identification and can yield the identified parameter almost instantaneously. Simulation results demonstrate its effectiveness and the improved estimation speed over a recursive least squares identifier.

Wang, Zejiang↗

DOE OSTI2015

Correlation functions from a unified variational principle: Trial Lie groups

Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables of interest. It is built by imposing through Lagrange multipliers constraints that account for the initial state (at equilibrium or off equilibrium) and for the backward Heisenberg evolution of the observables. The trial objects are respectively akin to a density operator and to an operator involving the observables of interest and the sources. We work out here the case where trial spaces constitute Lie groups. This choice reduces the original degrees of freedom to those of the underlying Lie algebra, consisting of simple observables; the resulting objects are labeled by the indices of a basis of this algebra. Explicit results are obtained by expanding in powers of the sources. Zeroth and first orders provide thermodynamic quantities and expectation values in the form of mean-field approximations, with dynamical equations having a classical Lie–Poisson structure. At second order, the variational expression for two-time correlation functions separates–as does its exact counterpart–the approximate dynamics of the observables from the approximate correlations in the initial state. Two building blocks are involved: (i) a commutation matrix which stems from the structure constants of the Lie algebra; and (ii) the second-derivative matrix of a free-energy function. The diagonalization of both matrices, required for practical calculations, is worked out, in a way analogous to the standard RPA. The ensuing structure of the variational formulae is the same as for a system of non-interacting bosons (or of harmonic oscillators) plus, at non-zero temperature, classical Gaussian variables. This property is explained by mapping the original Lie algebra onto a simpler Lie algebra. The results, valid for any trial Lie group, fulfill consistency properties and encompass several special cases: linear responses, static and time-dependent fluctuations, zero- and high-temperature limits, static and dynamic stability of small deviations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Single-Molecule Kinetics of Styrene Hydrogenation on Silica-Supported Vanadium: The Role of Disorder for Single-Atom Catalysts

We report a theoretical approach for the study of supported atom catalysis is developed based on recent advances in the study of single-molecule kinetics. This view is particularly useful in exhibiting the role of disorder in single-atom and single-site catalysts on amorphous supports. The distribution of passage times (or waiting times) through a complex catalytic network originating from a set of coupled active sites is described by a probability distribution function (PDF), f(t), that reflects the local environment of the reaction center. An efficient algorithm is developed based on the linear algebra of the Markov transition matrix that produces f(t) or its moments. The kinetics of the hydrogenation reaction of styrene on an organovanadium(III) catalyst supported on amorphous silica is studied. A kinetic model consisting of three intertwined catalytic cycles emanating from three chemically distinct active sites is proposed to describe the chemistry. Density functional theory (DFT) calculations are employed to determine the free energy barriers of the reactions, which are used to construct the rate coefficient matrix. The disorder induced by the amorphous support material is divided into a low-dimensional short-range component reflecting the covalent structures near the reaction center and a weaker long-range component modeling the bulk randomness. The results are computed and analyzed for a wide range of concentration values and disorder scenarios. The unusual structure in the f(t) PDF is found to occur for certain cases that reveal the contribution of multiple catalytic pathways acting in concert.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Real-Time Optimized Load Recovery Considering Frequency Constraints

A self-healing power grid can mitigate the impact of power outages and recover the affected area swiftly. To properly size the optimal amount and location of de-energized loads in the presence of both conventional and renewable sources, a precise optimization-based load recovery tool is proposed herein. The steady-state and transient behaviors of loads have been taken into account. The proposed tool contains three separate problems that interact with each other during the restoration period. The first-level problem determines the dispatching of generation units. The second-level problem comprises the non-linear algebraic equations, whose task is to provide the initial conditions for the third-level problem. Finally, the third-level problem intends to determine the optimal location and amount of load pickup through modeling the governor of generators as well as loads' dynamic behaviors. To examine the effectiveness of the proposed tool, a modified IEEE 39-system under a partial blackout condition has been tested. The results are verified by a commercial time-domain simulation software (PSS/E) to demonstrate the accuracy of the proposed approach. Ultimately, the impact of wind turbine frequency control on the load recovery process has been studied under different penetration levels.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2013

Effective regularized algebraic reconstruction technique for computed tomography

A new fast version of the reconstruction algorithm for computed tomography based on the simultaneous algebraic reconstruction technique (SART) is proposed. The algorithm iteration is asymptotically accelerated using the fast Hough transform from O(n{sup 3}) to O(n{sup 2}logn). Similarly to the algebraic reconstruction technique (RegART), which was proposed by us previously, the regularization operator is applied after each iteration. A bilateral filter plays the role of this operator. The algorithm behavior is investigated using the model experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1974

Nonlinear finite-element analysis of laminated composite shells

Two aspects of the geometrically nonlinear analysis of laminated composite shells are considered in this paper. The first pertains to the simplifications and computational advantages resulting from the use of group-theoretic methods in conjunction with computerized symbolic (algebraic) manipulation in the element development. The second aspect pertains to the combined effects of shear deformation and nonlinearity on the accuracy and convergence of two-dimensional, shear-flexible stiffness finite element models.

Noor, A. K.↗

NASA NTRS1992

A new method for transonic static aeroelasticity problems

A new method has been developed to calculate the steady flow and structural deformations for fluid/structure interaction problems. The discretized fluid dynamic and structural equations are regarded as a single set of coupled, nonlinear, algebraic equations. The equilibrium solution is directly obtained using Newton's method. The governing equations used for the fluid flow are the two-dimensional Navier-Stokes equations, and a finite-element model is used to represent the structure. This paper describes the analytical method and presents sample calculations demonstrating the technique. The results show rapid convergence and good agreement with experimental data.

Felker, Fort F.↗

DOE OSTI2017

2, 84, 30, 993, 560, 15456, 11962, 261485, . . .: higher dimension operators in the SM EFT

In a companion paper, we show that operator bases for general effective field theories are controlled by the conformal algebra. Equations of motion and integration by parts identities can be systematically treated by organizing operators into irreducible representations of the conformal group. In the present work, we use this result to study the standard model effective field theory (SM EFT), determining the content and number of higher dimension operators up to dimension 12, for an arbitrary number of fermion generations. We find additional operators to those that have appeared in the literature at dimension 7 (specifically in the case of more than one fermion generation) and at dimension 8. (The title sequence is the total number of independent operators in the SM EFT with one fermion generation, including hermitian conjugates, ordered in mass dimension, starting at dimension 5.)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Deformations of superconformal theories

Here, we classify possible supersymmetry-preserving relevant, marginal, and irrelevant deformations of unitary superconformal theories in d ≥ 3 dimensions. Our method only relies on symmetries and unitarity. Hence, the results are model independent and do not require a Lagrangian description. Two unifying themes emerge: first, many theories admit deformations that reside in multiplets together with conserved currents. Such deformations can lead to modifications of the supersymmetry algebra by central and noncentral charges. Second, many theories with a sufficient amount of supersymmetry do not admit relevant or marginal deformations, and some admit neither. The classification is complicated by the fact that short superconformal multiplets display a rich variety of sporadic phenomena, including supersymmetric deformations that reside in the middle of a multiplet. We illustrate our results with examples in diverse dimensions. In particular, we explain how the classification of irrelevant supersymmetric deformations can be used to derive known and new constraints on moduli-space effective actions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

High Order Anchoring and Reinitialization of Level Set Function for Simulating Interface Motion

A second order interface anchoring method has been developed and used with fast sweeping algorithm for reinitialization of a level set function. The algebraic anchoring formulation ensures that the location of the actual interface is preserved, leading to better mass conservation property. It also provides high order accurate algebraic constraint for solving the Eikonal equation on a finite difference grid. Geometric properties of the interface such as surface normal and curvature are subsequently computed from the reinitialized distance function. Various analytical functions for modeling distortion in level set field are considered and accuracy of reinitialization is evaluated using first and second order anchoring schemes. It is also shown that accurate computation of interface curvature requires a high order anchor in addition to a high order fast sweeping method. Mass conservation property of reinitialization is also analyzed by considering test problems from literature including the classic Rider–Kothe single vortex problem. The formulation is suitable for efficient parallelization for both distributed memory and on-node shared memory parallel systems. In conclusion, scalability and performance of the reinitialization scheme on multiple architectures are demonstrated.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

A new kind of topological quantum order: A dimensional hierarchy of quasiparticles built from stationary excitations

Here, we introduce exactly solvable models of interacting (Majorana) fermions in d ≥ 3 spatial dimensions that realize a new kind of fermion topological quantum order, building on a model presented by S. Vijay, T. H. Hsieh, and L. Fu [Phys. Rev. X 5, 041038 (2015)]. These models have extensive topological ground-state degeneracy and a hierarchy of pointlike, topological excitations that are only free to move within submanifolds of the lattice. In particular, one of our models has fundamental excitations that are completely stationary. To demonstrate these results, we introduce a powerful polynomial representation of commuting Majorana Hamiltonians. Remarkably, the physical properties of the topologically ordered state are encoded in an algebraic variety, defined by the common zeros of a set of polynomials over a finite field. This provides a “geometric” framework for the emergence of topological order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1977

Pure field theories and MACSYMA algorithms

A pure field theory attempts to describe physical phenomena through singularity-free solutions of field equations resulting from an action principle. The physics goes into forming the action principle and interpreting specific results. Algorithms for the intervening mathematical steps are sketched. Vacuum general relativity is a pure field theory, serving as model and providing checks for generalizations. The fields of general relativity are the 10 components of a symmetric Riemannian metric tensor; those of the Einstein-Straus generalization are the 16 components of a nonsymmetric. Algebraic properties are exploited in top level MACSYMA commands toward performing some of the algorithms of that generalization. The light cone for the theory as left by Einstein and Straus is found and simplifications of that theory are discussed.

Ament, W. S.↗