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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 19 records

On the convergence of Neumann series for electrostatic fracture response

Here, the feasibility of Neumann series expansion of Maxwell’s equations in the electrostatic limit is investigated for potentially rapid and approximate subsurface imaging of geologic features proximal to metallic infrastructure in an oilfield environment. While generally useful for efficient modeling of mild conductivity perturbations in uncluttered settings, we raise the question of its suitability for situations, such as oilfield, where metallic artifacts are pervasive, and in some cases, in direct electrical contact with the conductivity perturbation on which the Neumann series is computed. Convergence of the Neumann series and its residual error are computed using the hierarchical finite element framework for a canonical oilfield model consisting of an “L” shaped, steel-cased well, energized by a steady state electrode, and penetrating a small set of mildly conducting fractures near the heel of the well. For a given node spacing h in the finite element mesh, we find that the Neumann series is ultimately convergent if the conductivity is small enough - a result consistent with previous presumptions on the necessity of small conductivity perturbations. However, we also demonstrate that the spectral radius of the Neumann series operator grows as ~ 1/ h , thus suggesting that in the limit of the continuous problem h → 0, the Neumann series is intrinsically divergent for all conductivity perturbation, regardless of their smallness. The hierarchical finite element methodology itself is critically analyzed and shown to possess the h 2 error convergence of traditional linear finite elements, thereby supporting the conclusion of an inescapably divergent Neumann series for this benchmark example. Application of the Neumann series to oilfield problems with metallic clutter should therefore be done with careful consideration to the coupling between infrastructure and geology. Here, the methods used here are demonstrably useful in such circumstances.

58 GEOSCIENCES↗

Neumann Series in MGS-GMRES and Inner-Outer Iterations: Preprint

A low-synchronization MGS-GMRES Krylov solver employing a truncated Neumann series for the inverse compact WY MGS correction matrix T is presented. A corollary to the backward stability result of Paige et al. [1] establishes that T = I - Lk is sufficient for convergence of GMRES when kLkp F = O("p)_p F (B), where the strictly lower triangular matrix L is defined by the inner products of Krylov vectors V T 1:k-2 vk-1. The preconditioner is the classical Ruge-Stuben AMG algorithm with compatible relaxation and inner-outer Gauss-Seidel smoother. This smoother may also be expressed as a truncated Neumann series. Drop tolerances are applied to the lower triangular matrices arising in the smoother in order to reduce the number of non-zeros and accelerate the time to solution. The number of small matrix elements are found to increase from fine to coarse levels and thus the effciency gains are greater for large problems with many levels in the V -cycle. The solver is applied to the pressure continuity equation for the incompressible Navier-Stokes equations. Unlike the inner-outer iteration, the solver convergence rate with the standard Gauss-Seidel smoother deteriorates with dropping. The solver compute time is reduced by up to 50% without a change in the convergence rate.

Gauss-Seidel smoother↗

Neumann Series Based Voltage Sensitivity Analysis for Three Phase Distribution System

In this letter, a simplified voltage sensitivity analysis technique that can provide accurate estimates of voltage change across the network for a given change in bus power injections in a three-phase unbalanced distribution network is proposed. This technique is derived from the first-order approximation of the Neumann series, which allows maintaining the accuracy of the solution while the computational effort is reduced. Here, the proposed technique is tested on a 559-bus unbalanced distribution system with multiple distributed generation resources. The results show that the average error in the voltage estimates with the proposed method is not more than 0.3% with the execution time of similar order relative to the state-of-the-art sensitivity analysis methods.

42 ENGINEERING↗

Inverse scattering theory: Inverse scattering series method for one dimensional non-compact support potential

The reversion of the Born-Neumann series of the Lippmann-Schwinger equation is one of the standard ways to solve the inverse acoustic scattering problem. One limitation of the current inversion methods based on the reversion of the Born-Neumann series is that the velocity potential should have compact support. However, this assumption cannot be satisfied in certain cases, especially in seismic inversion. Based on the idea of distorted wave scattering, we explore an inverse scattering method for velocity potentials without compact support. The strategy is to decompose the actual medium as a known single interface reference medium, which has the same asymptotic form as the actual medium and a perturbative scattering potential with compact support. After introducing the method to calculate the Green’s function for the known reference potential, the inverse scattering series and Volterra inverse scattering series are derived for the perturbative potential. Analytical and numerical examples demonstrate the feasibility and effectiveness of this method. Besides, to ensure stability of the numerical computation, the Lanczos averaging method is employed as a filter to reduce the Gibbs oscillations for the truncated discrete inverse Fourier transform of each order. Our method provides a rigorous mathematical framework for inverse acoustic scattering with a non-compact support velocity potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Comment on “Generalized dispersion relation for electron Bernstein waves in a non-Maxwellian magnetized anisotropic plasma” [Phys. Plasmas 17, 102114 (2010)]

In a recent paper [Deeba et al., Phys. Plasmas 17, 102114 (2010)], a generalized dielectric constant for the electron Bernstein waves using non-Maxwellian distribution functions was derived in a collisionless, uniform magnetized plasma. Using the Neumann series expansion for the products of Bessel functions, Deeba, Ahmad, and Murtaza derived the dispersion relations for both kappa and the generalized (r, q) distributions in a straightforward manner. However, their results are questionable, since the Neumann series expansion for the products of Bessel functions is valid for small argument, while for perpendicular propagation, it is necessary to evaluate special integrands for small as well as large arguments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling of the Flows of Admixtures in a Random Layered Strip with Probable Arrangement of Inclusions Near the Boundaries of the Body

We study the random flow of admixtures in a two-phase stochastically inhomogeneous strip with the most probable arrangement of inclusions in the vicinity of the surfaces of the body. A mathematical model is formulated for the function of diffusion flow with nonzero constant initial concentration. A random diffusion flow is represented in the form of a Neumann series. The procedure of averaging of the random mass flow over the ensemble of phase configurations with arcsine distribution function is performed. The influence of the characteristics of the medium on the distribution of mass flow is analyzed. It is shown that if the diffusion coefficient of admixtures in the inclusion is higher than for the matrix, then the increase in the characteristic thickness of the layers causes a decrease in the value of the diffusion flow, whereas the mass flow in the entire body increases with the volume fraction of the inclusions.

97 MATHEMATICS AND COMPUTING↗

A simple class of singular, two species Vlasov equilibria sustaining nonmonotonic potential distributions

We present new elementary, exact weak singular solutions of the steady state, two species, electrostatic, one dimensional Vlasov-Poisson equations. The distribution of the hot, finite mass, mobile ions is assumed to be log singular at the position of the electric potential's minimum. We show that the electron energy distributions on opposite sides of this minimum are not equal. This leads to a jump discontinuity of the electron distribution across its separatrix. A simple relation exists between the difference of these two electron distributions and that of the ions. The velocity Fourier transform of the electron singular distribution is smooth and appears as a simple Neumann series. Elementary, finite amplitude profiles of the electric potential result from Poisson equation, which are smoothly, but nonmonotonically and asymmetrically distributed in space. Two such profiles are given explicitly as appropriate for a nonmonotonic double layer and for a plasma bounded by a surface. The distributions of both electrons and ions supporting such potential meet smooth and kinetically stable boundary conditions at one plasma boundary. For sufficiently small potential to electron temperature ratios, the nonthermal, discontinuous electron distribution resulting at the other plasma boundary is also stable against Landau damped perturbations of the electron distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

POLARIZED LINE TRANSFER WITH F-STATE INTERFERENCE IN A NON-MAGNETIC MEDIUM: PARTIAL FREQUENCY REDISTRIBUTION EFFECTS IN THE COLLISIONLESS REGIME

Quantum interference phenomena manifest themselves in several ways in the polarized solar spectrum formed due to coherent scattering processes. One such effect arises due to interference between the fine structure (J) states giving rise to multiplets. Another effect is that which arises due to interference between the hyperfine structure (F) states. We extend the redistribution matrix derived for the J-state interference to the case of F-state interference. We then incorporate it into the polarized radiative transfer equation and solve it for isothermal constant property slab atmospheres. The relevant transfer equation is solved using a polarized approximate lambda iteration (PALI) technique based on operator perturbation. An alternative method derived from the Neumann series expansion is also proposed and is found to be relatively more efficient than the PALI method. The effects of partial frequency redistribution and the F-state interference on the shapes of the linearly polarized Stokes profiles are discussed. The emergent Stokes profiles are computed for hypothetical line transitions arising due to hyperfine structure splitting of the upper J = 3/2 and lower J = 1/2 levels of a two-level atom model with nuclear spin I{sub s} = 3/2. We confine our attention to the non-magnetic scattering in the collisionless regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Stochastic Calculus Approach to Boltzmann Transport

Traditional Monte Carlo methods for particle transport utilize source iteration to express the solution, the flux density, of the transport equation as a Neumann series. Our contribution is to show that the particle paths simulated within source iteration are associated with the adjoint flux density and the adjoint particle paths are associated with the flux density. Here, we make our assertion rigorous through the use of stochastic calculus by representing the particle path used in source iteration as a solution to a stochastic differential equation (SDE). The solution to the adjoint Boltzmann equation is then expressed in terms of the same SDE, and the solution to the Boltzmann equation is expressed in terms of the SDE associated with the adjoint particle process. An important consequence is that the particle paths used within source iteration simultaneously provide Monte Carlo samples of the flux density and adjoint flux density in the detector and source regions, respectively. The significant practical implication is that particle trajectories can be reused to obtain both forward and adjoint quantities of interest. To the best our knowledge, the reuse of entire particles paths has not appeared in the literature. Monte Carlo simulations are presented to support the reuse of the particle paths.

Boltzmann transport↗

Novel Solver Algorithms for Nearly Singular Linear Systems Arising in Combustion Modelling

Direct Numerical Simulations of realistic combustion devices are extremely challenging due to the wide separation of scales in the simulation, for example an internal combustion (IC) engine chamber, and the flame thickness of a high-pressure flame. The PeleLMeX solver uses adaptive mesh refinement (AMR) to evolve multi-species reacting flows in the low Mach number limit at the Exascale and relies on an embedded boundary (EB) approach to represent complex geometries. In that framework, the EB geometries often give rise to very small cut-cells along the boundary, which translate into extreme ill-conditioning of the pressure-projection, with eigenvalues that span 15-16 orders of magnitude. In this talk, we focus on the case of a typical IC piston bowl geometry for which we present on a novel approach towards solving these nearly singular linear systems with ILU-based, C-AMG smoothers on massively parallel architectures. In particular, we use scaling and equilibration algorithms to handle the non-normality of the upper triangular factors. This enables us to approximate the highly sequential triangular solve algorithm, embedded in the AMG smoothing-solve phase, with Jacobi iterations. This approximation can be written as a convergent Neumann series whose terms are composed of highly parallel sparse matrix vector multiplications. The result is an algorithm that substantially decreases setup and solve time, compared to state-of-the-art, for these challenging linear systems.

combustion modelling↗

Structural and Spectroscopic Trends in Alkali Tris(Acetato)Actinyl(VI) Complexes

A series of alkali tris(acetato)actinyl(VI) compounds M[AnO 2 (CH 3 COO) 3 ] (M=Na, K, Rb, Cs and An=U, Np, Pu) is reported, applying a combination of singlecrystal X-ray diffraction, solid-state Raman spectroscopy, and U(VI) luminescence spectroscopy for their structural and spectroscopic characterization. The results show that complexes formed from the same alkali metal but different actinyl ions are mostly isostructural. The symmetric actinyl stretch (ν 1 (An=O yl )) in these isostructural complexes undergoes a redshift within the actinide series despite the shortening of the actinyl bond due to the actinide contraction. Complexes formed from the same actinyl but co-crystallized with different alkali metals show a progression toward lower space group symmetry. While the actinyl bond length remains unmodulated within the alkali series, a small redshift of ν 1 (An=O yl ) is observed, indicating minor changes in the vibrational properties of the actinyl moiety caused by the structural progression towards lower symmetry. This subtle change is also evidenced by a redshift of the U(VI) luminescence spectra within the M[UO 2 (CH 3 COO) 3 ] series.

Raman↗

Response to “Comment on ‘Generalized dispersion relation for electron Bernstein waves in a non-Maxwellian magnetized anisotropic plasma’” [Phys. Plasmas 22, 024701 (2015)]

Sharifi and Parvazian have presented comments on our paper by questioning the validity of the results. The plots of different curves of kappa and (r, q) distributions produced by them are incorrect. They pretended as if we have made claim that our results are valid for large arguments of product of Bessel Function, whereas Neumann's series expansion is valid only for small arguments. In our paper, no claim is made that the results are valid for all values of b. Our results are valid only for b ≪ 1. The results plotted by the commenters are incorrect and in this response we are presenting correct plots of dispersion curves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An estimate for the rank of the intersection of subgroups in free amalgamated products of two groups with normal finite amalgamated subgroup

We generalize the estimate for the rank of intersection of subgroups in free products of groups, proved earlier by Ivanov and Dicks (which is analogous to the Hanna Neumann inequality in free groups) to the case of free amalgamated products of groups with normal finite amalgamated subgroup. We also prove that the estimate obtained is sharp and cannot be further improved when the amalgamated product contains an involution. Bibliography: 11 titles.

97 MATHEMATICS AND COMPUTING↗

Zeno effect and ergodicity in finite-time quantum measurements

We demonstrate that an attempt to measure a nonlocal in time quantity, such as the time average {sub T} of a dynamical variable A, by separating Feynman paths into ever narrower exclusive classes traps the system in eigensubspaces of the corresponding operator A. Conversely, in a long measurement of {sub T} to a finite accuracy, the system explores its Hilbert space and is driven to a universal steady state in which the von Neumann ensemble average of A coincides with {sub T}. Both effects are conveniently analyzed in terms of singularities and critical points of the corresponding amplitude distribution and the Zeno-like behavior is shown to be a consequence of the conservation of probability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Implementation of Perturbation Theory and Sensitivity Capabilities in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor Multiphysics analysis application, jointly developed by Argonne and Idaho National Laboratories under the DOE-NE NEAMS program. This fiscal year, capabilities for reactivity and sensitivity evaluation using perturbation methods were implemented and verified. The First Order Perturbation Method (FOPT) was employed to compute reactivity worth resulting from small perturbations in input parameters, while the Generalized Perturbation Theory (GPT) was used to evaluate sensitivities of a range of response types, including reaction rate ratio, k-eigenvalue, neutron generation time, and effective delayed neutron fraction. These perturbation methods enable users to quantify how response quantities change due to a perturbation in a input parameter without explicitly performing an additional transport simulation for each perturbed state. In particular, the GPT formulation accounts for indirect effects arising from flux changes by solving generalized inhomogeneous equations, for which a Neumann series-based iterative solution method was developed and implemented in Griffin. The implemented reactivity and sensitivity evaluation capabilities were verified using two test problems: an infinite homogeneous system and a two-dimensional hexagonal core. The results showed excellent agreement with reference solutions obtained by a direct method based on finite difference approximation as well as GPT-based results from the PERSENT code, confirming the accuracy of both reactivity and sensitivity evaluations. Additionally, preliminary uncertainty quantification (UQ) results were obtained by combining the sensitivity values computed using GPT and external covariance data, demonstrating that the implemented sensitivity results can be reliably used for uncertainty calculations. To further demonstrate the generality and practical strength of the implementation, the sensitivity evaluation capability was successfully applied to the Empire microreactor with a geometrically complex design that poses significant modeling challenges. The results confirm that Griffin enables sensitivity evaluations even for irregular and highly heterogeneous reactor configurations, thereby establishing a foundation for UQ applications in advanced reactor designs and analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Accurate quantum dynamics calculations using symmetrized Gaussians on a doubly dense Von Neumann lattice

In a series of earlier articles [B. Poirier, J. Theor. Comput. Chem. 2, 65 (2003); B. Poirier and A. Salam, J. Chem. Phys. 121, 1690 (2004); and ibid. 121, 1704 (2004)], a new method was introduced for performing exact quantum dynamics calculations. The method uses a 'weylet' basis set (orthogonalized Weyl-Heisenberg wavelets) combined with phase space truncation, to defeat the exponential scaling of CPU effort with system dimensionality-the first method ever able to achieve this long-standing goal. Here, we develop another such method, which uses a much more convenient basis of momentum-symmetrized Gaussians. Despite being non-orthogonal, symmetrized Gaussians are collectively local, allowing for effective phase space truncation. A dimension-independent code for computing energy eigenstates of both coupled and uncoupled systems has been created, exploiting massively parallel algorithms. Results are presented for model isotropic uncoupled harmonic oscillators and coupled anharmonic oscillators up to 27 dimensions. These are compared with the previous weylet calculations (uncoupled harmonic oscillators up to 15 dimensions), and found to be essentially just as efficient. Coupled system results are also compared to corresponding exact results obtained using a harmonic oscillator basis, and also to approximate results obtained using first-order perturbation theory up to the maximum dimensionality for which the latter may be feasibly obtained (four dimensions).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗