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DOE OSTI2016

A New CE TSUNAMI-3D Capability for Calculating Undersampling Metrics and Biases

This study investigates the viability of several statistical metrics for predicting the undersampling biases in continuous-energy (CE) Monte Carlo transport simulation tally estimates. Undersampling is a phenomenon in which a Monte Carlo simulation fails to use enough particles per generation to adequately sample fission points in all regions of a problem, resulting in biases in tally estimates that are much larger than the statistical uncertainties, potentially leading to erroneous conclusions regarding system performance and safety. Previous work found that biases due to undersampling could be as large as several hundred per cent mille (pcm) for eigenvalue estimates and up to tens or hundreds of percent for flux tally estimates. This paper documents the encapsulation of undersampling metrics within CE TSUNAMI-3D in the SCALE code system and examines the correlation between the various undersampling metric scores and the magnitude of various undersampling biases. Of the metrics examined, the RHW metric, the Tally Entropy metric, and the uncertainty in the scores for these metrics produce scores that correlated well with the fraction of the undersampling biases in various eigenvalue, flux, and energy-integrated reaction rate tallies in an infinitely reflected model of a PWR fuel assembly. The average number of nonzero scores per generation encountered by a tally was also found to show promise at predicting the magnitude of undersampling biases, and it also found use in detecting and filtering extremely undersampled tallies in the application of the other metrics. Future work will strengthen these conclusions by improving the degree of convergence for the examined tally and undersampling bias estimates, apply these metrics to a more broad variety of systems, and investigate variance reduction approaches for mitigating undersampling in Monte Carlo tally estimates. (authors)

42 ENGINEERING↗

DOE OSTI2017

MC 2 -3: Multigroup Cross Section Generation Code for Fast Reactor Analysis

This paper presents the methods and performance of the MC2 -3 code, which is a multigroup cross-section generation code for fast reactor analysis, developed to improve the resonance self-shielding and spectrum calculation methods of MC2 -2 and to simplify the current multistep schemes generating region-dependent broad-group cross sections. Using the basic neutron data from ENDF/B data files, MC2 -3 solves the consistent P1 multigroup transport equation to determine the fundamental mode spectra for use in generating multigroup neutron cross sections. A homogeneous medium or a heterogeneous slab or cylindrical unit cell problem is solved in ultrafine (2082) or hyperfine (~400 000) group levels. In the resolved resonance range, pointwise cross sections are reconstructed with Doppler broadening at specified temperatures. The pointwise cross sections are directly used in the hyperfine group calculation, whereas for the ultrafine group calculation, self-shielded cross sections are prepared by numerical integration of the pointwise cross sections based upon the narrow resonance approximation. For both the hyperfine and ultrafine group calculations, unresolved resonances are self-shielded using the analytic resonance integral method. The ultrafine group calculation can also be performed for a two-dimensional whole-core problem to generate region-dependent broad-group cross sections. Verification tests have been performed using the benchmark problems for various fast critical experiments including Los Alamos National Laboratory critical assemblies; Zero-Power Reactor, Zero-Power Physics Reactor, and Bundesamt für Strahlenschutz experiments; Monju start-up core; and Advanced Burner Test Reactor. Verification and validation results with ENDF/B-VII.0 data indicated that eigenvalues from MC2 -3/DIF3D agreed well with Monte Carlo N-Particle5 MCNP5 or VIM Monte Carlo solutions within 200 pcm and regionwise one-group fluxes were in good agreement with Monte Carlo solutions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1980

Modal methods in optimal control synthesis

Efficient algorithms for solving linear smoother-follower problems with quadratic criteria are presented. For time-invariant systems, the algorithm consists of one backward integration of a linear vector equation and one forward integration of another linear vector equation. Furthermore, the backward and forward Riccati matrices can be expressed in terms of the eigenvalues and eigenvectors of the Euler-Lagrange equations. Hence, the gains of the forward and backward Kalman-Bucy filters and of the optimal state-feedback regulator can be determined without integration of matrix Riccati equations. A computer program has been developed, based on this method of determining the gains, to synthesize the optimal time-invariant compensator in the presence of random disturbance inputs and random measurement errors. The program also computes the rms state and control variables of the optimal closed-loop system.

Bryson, A. E., Jr.↗

NASA NTRS1988

Reduced order models for nonlinear aerodynamics

Reduced order models are needed for reliable, efficient and accurate prediction of aerodynamic forces to analyze fluid structure interaction problems in turbomachinery, including propfans. Here, a finite difference, time marching Navier-Stokes code is validated for unsteady airfoil motion by comparing results with those from classical potential flow. The Navier-Stokes code is then analyzed for calculation of primitive and exact estimates of eigenvalues and eigenvectors associated with fluid-airfoil interaction. A variational formulation for the Euler equations and Navier-Stokes equations will be the basis for reduction of order through an eigenvector transformation.

Mahajan, Aparajit J.↗

NASA NTRS1988

System identification in the microcomputer environment

An implementation of an algorithm for system identification, the eigenvalue realization algorithm (ERA), on a microcomputer is reported. Test results are presented to show that accurate structural identification can be performed in a microcomputer environment. It is also shown that the memory limits (640 K) of small machines are generally adequate for solving large scale problems (e.g., Hankel matrices with 15,000 elements), with run times being on the order of several minutes.

Garcia, Ephrahim↗

DOE OSTI2024

Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities

Abstract The GW approximation has become an important tool for predicting charged excitations of isolated molecules and condensed systems. Its popularity can be attributed to many factors, including a favorable scaling and relatively good accuracy. In practical applications, the GW is often performed as a one-shot perturbation known as G 0 W 0 . Unfortunately, G 0 W 0 suffers from a strong starting point dependence and is often not as accurate as one would need. Self-consistent GW methodologies alleviate these problems but come with a marked increase in computational cost. In this manuscript, we propose the use of an estimate of the exchange-correlation derivative discontinuity to provide a remarkably good starting point for G 0 W 0 calculations, yielding ionization potentials and electron affinities with eigenvalue self-consistent GW quality at no additional cost. We assess the quality of the resulting methodology with the GW 100 benchmark set and compare its advantages over other similar methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

Recent advances in aerodynamic energy concept for flutter suppression and gust alleviation using active controls

Control laws are derived, by using realizable transfer functions, which permit relaxation of the stability requirements of the aerodynamic energy concept. The resulting aerodynamic eigenvalues indicate that both the trailing edge and the leading edge-trailing edge control systems can be made more effective. These control laws permit the introduction of aerodynamic damping and stiffness terms in accordance with the requirements of any specific system. Flutter suppression and gust alleviation problems can now be treated by either a trailing edge control system or by a leading edge-trailing edge control system by using the aerodynamic energy concept. Results are applicable to a wide class of aircraft operating at subsonic Mach numbers.

Nissim, E.↗

NASA NTRS1989

Modified Chebyshev pseudospectral method with O(N exp -1) time step restriction

The extreme eigenvalues of the Chebyshev pseudospectral differentiation operator are O(N exp 2) where N is the number of grid points. As a result of this, the allowable time step in an explicit time marching algorithm is O(N exp -2) which, in many cases, is much below the time step dictated by the physics of the partial differential equation. A new set of interpolating points is introduced such that the eigenvalues of the differentiation operator are O(N) and the allowable time step is O(N exp -1). The properties of the new algorithm are similar to those of the Fourier method. The new algorithm also provides a highly accurate solution for non-periodic boundary value problems.

Kosloff, Dan↗

NASA NTRS1993

A modified Chebyshev pseudospectral method with an O(N exp -1) time step restriction

Kosloff, Dan↗

NASA NTRS1973

Optical potential approach to the electron-atom impact ionization threshold problem

The problem of the threshold law for electron-atom impact ionization is reconsidered as an extrapolation of inelastic cross sections through the ionization threshold. The cross sections are evaluated from a distorted wave matrix element, the final state of which describes the scattering from the Nth excited state of the target atom. The actual calculation is carried for the e-H system, and a model is introduced which is shown to preserve the essential properties of the problem while at the same time reducing the dimensionability of the Schrodinger equation. Nevertheless, the scattering equation is still very complex. It is dominated by the optical potential which is expanded in terms of eigen-spectrum of QHQ. It is shown by actual calculation that the lower eigenvalues of this spectrum descend below the relevant inelastic thresholds; it follows rigorously that the optical potential contains repulsive terms. Analytical solutions of the final state wave function are obtained with several approximations of the optical potential.

Temkin, A.↗

NASA NTRS1987

A combined stochastic feedforward and feedback control design methodology with application to autoland design

A combined stochastic feedforward and feedback control design methodology was developed. The objective of the feedforward control law is to track the commanded trajectory, whereas the feedback control law tries to maintain the plant state near the desired trajectory in the presence of disturbances and uncertainties about the plant. The feedforward control law design is formulated as a stochastic optimization problem and is embedded into the stochastic output feedback problem where the plant contains unstable and uncontrollable modes. An algorithm to compute the optimal feedforward is developed. In this approach, the use of error integral feedback, dynamic compensation, control rate command structures are an integral part of the methodology. An incremental implementation is recommended. Results on the eigenvalues of the implemented versus designed control laws are presented. The stochastic feedforward/feedback control methodology is used to design a digital automatic landing system for the ATOPS Research Vehicle, a Boeing 737-100 aircraft. The system control modes include localizer and glideslope capture and track, and flare to touchdown. Results of a detailed nonlinear simulation of the digital control laws, actuator systems, and aircraft aerodynamics are presented.

Halyo, Nesim↗

NASA NTRS1990

Bifurcations of relative equilibria

The characteristics of equivariant dynamical systems near relative equilibria (RE: group orbits which are invariant in the flow of an equivariant vector field) are investigated analytically, with a focus on the dynamics and bifurcation (B) behavior. The principles of Lie-group theory are reviewed; the decomposition of the vector field is explained; and particular attention is given to the Bs of RE occurring when an eigenvalue passes through zero, Hopf Bs of RE, the classification of generic secondary steady-state and Hopf Bs with symmetry group O(2), Bs of the zero solution of the Kuramoto-Shivashinsky equation, and possible generic steady-state Bs in the two-dimensional Benard problem. In the latter case, it is shown that the primary generic Bs are to two types of equilibria (hexagons and rolls), while the secondary Bs result in trajectories which are either equilibria or rotating waves.

Krupa, Martin↗

NASA NTRS1990

An implementation of the look-ahead Lanczos algorithm for non-Hermitian matrices, part 1

The nonsymmetric Lanczos method can be used to compute eigenvalues of large sparse non-Hermitian matrices or to solve large sparse non-Hermitian linear systems. However, the original Lanczos algorithm is susceptible to possible breakdowns and potential instabilities. We present an implementation of a look-ahead version of the Lanczos algorithm which overcomes these problems by skipping over those steps in which a breakdown or near-breakdown would occur in the standard process. The proposed algorithm can handle look-ahead steps of any length and is not restricted to steps of length 2, as earlier implementations are. Also, our implementation has the feature that it requires roughly the same number of inner products as the standard Lanczos process without look-ahead.

Freund, Roland W.↗

NASA NTRS1991

Adaptive control of Space Station during nominal operations with CMGs

An adaptive control approach is investigated for the Space Station. The main components of the adaptive controller are the parameter identification scheme, the control gain calculation, and the control law. The control law is the Space Station baseline control law. The control gain calculation is based on linear quadratic regulator theory with eigenvalue placement in a vertical strip. The parameter identification scheme is a real-time recursive extended Kalman filter which estimates the inertias and also provides an estimate of the unmodeled disturbances due to the aerodynamic torques and to the nonlinear effects. An analysis of the inertia estimation problem suggests that it is possible to compute accurate estimates of the Space Station inertias during nominal CMG (control moment gyro) operations. The closed-loop adaptive control law is shown to be capable of stabilizing the Space Station after large inertia changes. Results are presented for the pitch axis.

Bishop, R. H.↗

NASA NTRS1993

On eigensystem assignment with dissipativity constraints

Stability of the closed-loop system is of vital importance when controller synthesis is being performed using a reduced order model of the open-loop plant. For passive systems such as flexible space structures, closed-loop stability is often ensured by low-authority dissipative controllers using collocated and compatible sensors and actuators. This paper considers the problem of eigensystem assignment for flexible structures using constant-gain output feedback, under the dissipativity constraints requiring that the gain matrices be nonnegative definite. A novel method is developed in which a sequential procedure is used to assign one complex-conjugate pair of closed-loop eigenvalues in each step. At each step, an iterative technique is employed for generating a nonnegative definite gain matrix that assigns a new pair while keeping the previously assigned pairs unchanged. This method can assign up to m closed-loop system eigenvalues, where m is the number of control inputs. A numerical example of damping enhancement for a large flexible structure is presented to demonstrate the approach.

Maghami, Peiman G.↗

DOE OSTI2025

Lanczos algorithm for lattice QCD matrix elements

Recent work [M. L. Wagman, Lanczos, the transfer matrix, and the signal-to-noise problem, .] found that an analysis formalism based on the Lanczos algorithm allows energy levels to be extracted from Euclidean correlation functions with faster ground-state convergence than effective masses, convergent estimators for multiple states from a single correlator, and two-sided error bounds. After filtering out spurious eigenvalues and using outlier-robust estimators within a nested bootstrap framework, Lanczos estimators behave more like multistate fit results than effective masses—but without involving statistical fitting. We extend this formalism to the determination of matrix elements from three-point correlation functions and provide a physical picture of “spurious-state filtering” involving restriction to a Hermitian subspace. We demonstrate similar advantages for matrix elements as for spectroscopy through example applications to noiseless mock-data and (bare) forward matrix elements of the strange scalar current between both ground and excited states with the quantum numbers of the nucleon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

An overlapping Domain Decomposition preconditioning method for monolithic solution of shear bands

Metals subjected to high strain rate impact often exhibit a sudden and profound drop in the material’s load bearing capability, a ductile failure phenomenon known as shear banding. Shear bands, characterized as material instabilities, are driven by shear heating and described as narrow regions that have sustained intense plastic deformation and high temperature rise. This coupled thermo-mechanical localization problem can be formulated as a nonlinear system with two balance equations, momentum and energy, and two constitutive laws for elasticity and plasticity. Here in our formulation, mixed finite elements are used to discretize the equations in space and an implicit finite difference scheme is used to advance the system in time, where at every time step, a Newton type method is used to solve the system monolithically. To that end, a block Jacobian matrix is formed analytically using Gâteaux derivatives. The resulting Jacobian is sparse, nonsymmetric and its sparsity pattern and eigenvalue content vary with the different stages of shear bands formation, consequently posing a significant challenge to iterative solvers. To address this issue, an overlapping Domain Decomposition preconditioner that takes into account the physics of shear bands and the domain in which it forms, is proposed. The key idea is to resolve the shear band domain accurately while only solving the remaining domain approximately, with selective updates when necessary. The preconditioner is formed on the basis of an additive Schwartz method that is applied to a Schur complement partition of the system. The proposed preconditioner is implemented in parallel and tested on three different benchmark problems as compared against off-the-shelf solvers. We study the effect of h- and k-refinement that are obtained from Isogeometric discretizations of the system, the overlapping strategy and its parallel performance. Excellent performance is demonstrated in serial and parallel on all benchmark examples.

42 ENGINEERING↗

NASA NTRS1973

Evaluation of control laws and actuator locations for control systems applicable to deformable astronomical telescope mirrors

Some of the major difficulties associated with large orbiting astronomical telescopes are the cost of manufacturing the primary mirror to precise tolerances and the maintaining of diffraction-limited tolerances while in orbit. One successfully demonstrated approach for minimizing these problem areas is the technique of actively deforming the primary mirror by applying discrete forces to the rear of the mirror. A modal control technique, as applied to active optics, has previously been developed and analyzed. The modal control technique represents the plant to be controlled in terms of its eigenvalues and eigenfunctions which are estimated via numerical approximation techniques. The report includes an extension of previous work using the modal control technique and also describes an optimal feedback controller. The equations for both control laws are developed in state-space differential form and include such considerations as stability, controllability, and observability. These equations are general and allow the incorporation of various mode-analyzer designs; two design approaches are presented. The report also includes a technique for placing actuator and sensor locations at points on the mirror based upon the flexibility matrix of the uncontrolled or unobserved modes of the structure. The locations selected by this technique are used in the computer runs which are described. The results are based upon three different initial error distributions, two mode-analyzer designs, and both the modal and optimal control laws.

Ostroff, A. J.↗