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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

A parallel algorithm for computing the eigenvalues of a symmetric tridiagonal matrix

A parallel algorithm, called polysection, is presented for computing the eigenvalues of a symmetric tridiagonal matrix. The method is based on a quadratic recurrence in which the characteristic polynomial is constructed on a binary tree from polynomials whose degree doubles at each level. Intervals that contain exactly one zero are determined by the zeros of polynomials at the previous level which ensures that different processors compute different zeros. The signs of the polynomials at the interval endpoints are determined a priori and used to guarantee that all zeros are found. The use of finite-precision arithmetic may result in multiple zeros; however, in this case, the intervals coalesce and their number determines exactly the multiplicity of the zero. For an N x N matrix the eigenvalues can be determined in O(log-squared N) time with N-squared processors and O(N) time with N processors. The method is compared with a parallel variant of bisection that requires O(N-squared) time on a single processor, O(N) time with N processors, and O(log N) time with N-squared processors.

Swarztrauber, Paul N.↗
NASA NTRS1992

An implementation of the QMR method based on coupled two-term recurrences

The authors have proposed a new Krylov subspace iteration, the quasi-minimal residual algorithm (QMR), for solving non-Hermitian linear systems. In the original implementation of the QMR method, the Lanczos process with look-ahead is used to generate basis vectors for the underlying Krylov subspaces. In the Lanczos algorithm, these basis vectors are computed by means of three-term recurrences. It has been observed that, in finite precision arithmetic, vector iterations based on three-term recursions are usually less robust than mathematically equivalent coupled two-term vector recurrences. This paper presents a look-ahead algorithm that constructs the Lanczos basis vectors by means of coupled two-term recursions. Implementation details are given, and the look-ahead strategy is described. A new implementation of the QMR method, based on this coupled two-term algorithm, is described. A simplified version of the QMR algorithm without look-ahead is also presented, and the special case of QMR for complex symmetric linear systems is considered. Results of numerical experiments comparing the original and the new implementations of the QMR method are reported.

Freund, Roland W.↗
NASA NTRS2014

Towards Test Driven Development for Computational Science with pFUnit

Developers working in Computational Science & Engineering (CSE)/High Performance Computing (HPC) must contend with constant change due to advances in computing technology and science. Test Driven Development (TDD) is a methodology that mitigates software development risks due to change at the cost of adding comprehensive and continuous testing to the development process. Testing frameworks tailored for CSE/HPC, like pFUnit, can lower the barriers to such testing, yet CSE software faces unique constraints foreign to the broader software engineering community. Effective testing of numerical software requires a comprehensive suite of oracles, i.e., use cases with known answers, as well as robust estimates for the unavoidable numerical errors associated with implementation with finite-precision arithmetic. At first glance these concerns often seem exceedingly challenging or even insurmountable for real-world scientific applications. However, we argue that this common perception is incorrect and driven by (1) a conflation between model validation and software verification and (2) the general tendency in the scientific community to develop relatively coarse-grained, large procedures that compound numerous algorithmic steps.We believe TDD can be applied routinely to numerical software if developers pursue fine-grained implementations that permit testing, neatly side-stepping concerns about needing nontrivial oracles as well as the accumulation of errors. We present an example of a successful, complex legacy CSE/HPC code whose development process shares some aspects with TDD, which we contrast with current and potential capabilities. A mix of our proposed methodology and framework support should enable everyday use of TDD by CSE-expert developers.

pFUnit↗
NASA NTRSDate not supplied

Automatic Generation of Guard-Stable Floating-Point Code

In floating-point programs, test instability occurs when the control flow of a conditional statement diverges from its ideal execution under real arithmetic. This phenomenon is caused by the presence of round-off errors in floating-point computations. Writing programs that correctly handle test instability often require expertise on finite precision computations and rounding errors. This paper presents a fully automatic tool chain that generates and formally verifies a test-stable floating-point C program from its functional specification in real arithmetic. The generated program is instrumented to soundly detect when unstable tests may occur and, in these cases, to issue a warning. The proposed approach combines the PRECiSA floating-point static analyzer, the Frama-C software verification suite, and the PVS theorem prover.

Floating-Point Arithmetic↗
NASA NTRS1989

Precise solution for a finite set of spherical coefficients from equiangular gridded data

An important goal of geodesy is to determine the anomalous potential and its derivatives outside of the earth. Representing the surface anomalies by a series of spherical harmonics is useful since it is then possible to do a term by term solution of Laplace's equation and upward continuation. The problem of finding such a spherical harmonic series for anomaly values given on an equiangular surface grid is addressed. (This is a first step toward the more complicated problem of finding a function such that locally averaged values fit a grid of mean anomalies.) Three approaches to this fitting problem are discussed and compared: the discrete Fourier technique, the discrete integral technique, and a new approach. The peculiar nature of the equiangular grid, with its increasing density of (noisy) data toward the poles, causes each method to exhibit a different type of difficulty. The new method is shown to be practical as well as precise since the numerical conditioning problems which appear can be successfully handled by such well-known techniques as a (simple) Kalman filter.

Zucker, Paul A.↗
DOE OSTI2025

Identification of $^{3}$He–$^{3}$H clusters in the $^{6}$Li+$^{89}$Y experiment using particle-$\gamma$ coincidence measurement

The 6 Li+ 89 Y experiment was performed to explore the reaction mechanism induced by a weakly bound nucleus 6 Li and its cluster configuration. Here, the particle-$\gamma$ coincidence method was used to identify the different reaction channels. The $\gamma$-rays coincident with 3 He/ 3 H indicate that the 3 H/ 3 He stripping reaction plays a significant role in the formation of Zr/Nb isotopes. The obtained results support the existence of a 3 He- 3 H cluster in 6 Li. Direct and sequential transfer reactions are adequately discussed, and the FRESCO code is used to perform precise finite-range cyclic redundancy check calculations. In the microscopic calculation, direct cluster transfer is more predominant than sequential transfer in 3 H transfer. However, the direct cluster transfer is of comparable magnitude to the sequential transfer in the 3 He transfer.

CRC calculations↗
NASA NTRS1983

Distributed system modeling of a large space antenna

A general approach for distributed parameter modeling of complex dynamical systems is described. The method consists of dividing the system in parts which can be modeled by simple partial differential equations and coupling the equations thus obtained by applying Hamilton's variational formalism to the entire system. The modeling of a large, offset-fed, wrap-rib antenna is presented to illustrate the approach. Although such models are perhaps not as precise as finite element models, they can be useful for initial physical insight and parametric design.

Hamidi, M.↗
NASA NTRS1990

Optimal controllers for finite wordlength implementation

There exist realizations of a given controller transfer function yielding arbitrarily large effects from computational errors. Since, in general, there is no upper bound, it is important to have a systematic way of reducing these effects. Optimum controller designs are developed which take into account the digital round-off errors in the controller implementation and in the A/D and D/A converters. These results provide a natural extension to the LQG (linear quadratic Gaussian) theory since they reduce to the standard LQG controller when infinite-precision computation is used, but for finite precision the separation principle does not hold.

Liu, K.↗
NASA NTRS1991

Optimal controllers for finite wordlength implementation

When a controller is implemented in a digital computer, with A/D and D/A conversion, the numerical errors of the computation can drastically affect the performance of the control system. There exists realizations of a given controller transfer function yielding arbitrarily large effects from computational errors. Since, in general, there is no upper bound, it is important to have a systematic way of reducing these effects. Optimum controller designs are developed which take account of the digital round-off errors in the controller implementation and in the A/D and D/A converters. These results provide a natural extension to the Linear Quadratic Gaussian (LQG) theory since they reduce to the standard LQG controller when infinite precision computation is used. But for finite precision the separation principle does not hold.

Liu, K.↗
DOE OSTI2025

Interplay Between Time and Energy in Bosonic Noisy Quantum Metrology

Quantum entanglement and coherence often allow for protocols that outperform classical ones in estimating a system’s parameter. When using infinite-dimensional probes (such as a bosonic mode), one could, in principle, obtain infinite precision in a finite time for both classical and quantum protocols, which makes it hard to quantify potential quantum advantage. However, such a situation is unphysical, as it would require infinite resources, so one needs to impose some additional constraint: typically the average energy employed by the probe is finite. Here we treat both energy and time as a resource, showing that, in the presence of noise, there is a nontrivial interplay between the average energy and the time devoted to the estimation. Our results are valid for the most general metrological schemes (e.g., adaptive schemes, which may involve entanglement with external ancillae or any kind of continuous measurement). We apply recently derived precision bounds for all parameters characterizing the paradigmatic case of a bosonic mode, subject to Lindbladian noise. We show how the time employed in the estimation should be partitioned in order to achieve the best possible precision. In most cases, the optimal performance may be obtained without the necessity of adaptivity or entanglement with ancilla. We compare results with classical strategies. Interestingly, for temperature estimation, applying a fast-prepare-and-measure protocol with Fock states provides better scaling with the number of photons than any classical strategy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Boundary implications for frequency response of interval FIR and IIR filters

It is shown that vertex implication results in parameter space apply to interval trigonometric polynomials. Subsequently, it is shown that the frequency responses of both interval FIR and IIR filters are bounded by the frequency responses of certain extreme filters. The results apply directly in the evaluation of properties of designed filters, especially because it is more realistic to bound the filter coefficients from above and below instead of determining those with infinite precision because of finite arithmetic effects. Illustrative examples are provided to show how the extreme filters might be easily derived in any specific interval FIR or IIR filter design problem.

Bose, N. K.↗
DOE OSTI2022

Precise 3D reactor core calculation using spherical harmonics and discontinuous Galerkin finite element methods

We study the use of P{sub N} method in angle and discontinuous Galerkin is space to solve 3D neutron transport problem. P{sub N} method consists in developing the angular flux on truncated spherical harmonics basic. In this paper, we couple this method with the discontinuous finite elements in space to obtain a complete discretization of the multigroup neutron transport equation. To investigate its precision, the method was applied to Takeda and C5G7 benchmark problems. These calculations point out that the proposed P{sub N}-DG method is capable of producing accurate solutions in small computational time, and that it is able to handle complex 3D geometries. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Microcanonical Kinetics of Water-Mediated Proton Transfer in 4ABAH + ·(H 2 O) n = 4–6 Clusters (ABA = Aminobenzoic Acid): A Model System for Size-Dependent Relaxation to Ergodic Behavior

Here, we leverage the unique properties of the 4ABAH + · (H 2 O) n clusters (ABA = 4-aminobenzoic acid, n = 4−6) to quantitatively address how a finite, isolated system evolves into an ergodic condition starting from localized arrangements in configuration space. This system adopts two distinct structural isomers in which water molecules cluster around the cationic centers of its two protomers with widely separated positive charge centers. These isomers arise from excess proton attachment to either the acid (O) or amino (N) group on opposite sides of the benzene ring. Both forms are captured and kinetically trapped using cryogenic ion methods and then selectively vibrationally excited through their mutually exclusive IR bands involving NH and OH stretching fundamentals. Because the IR excitation lies below the water binding energy, the system can evolve to explore slow, rare events that lead to the interconversion between the two isomers. The rates of these intracluster reactions are determined by using a pump−probe scheme involving ∼5 ns IR pump and UV probe lasers. The rates occur on the microsecond time scale, leading to steady state populations of the isomers, thus revealing the cluster size-dependent fractionation between the two species at microcanonical equilibrium. The steady state distributions are correlated with the expected trend in the cluster size-dependent reaction energetics, which are in turn consistent with changes in the relative densities of states of the two species. These results thus provide an unusually clear example in which complex, protic-solvent-mediated chemical transformations are captured within a finite system at a precisely determined internal energy.

Rana, Abhijit [Yale Univ., New Haven, CT (United S↗
DOE OSTI2026

Scale setting of SU⁡(𝑁) Yang–Mills theory, topology and large-𝑁 volume independence

We set the scale of SU⁡(𝑁) Yang-Mills theories for 𝑁 =3, 5, 8 and in the large-𝑁 limit via gradient flow, as a first step towards the computation of the large-𝑁 Λ-parameter using step scaling. We adopt twisted boundary conditions to achieve large-𝑁 volume reduction and the Parallel Tempering on Boundary Conditions algorithm to tame topological freezing. This setup allows accurate determinations of the gradient-flow scales down to lattice spacings as fine as ∼0.025 fm for all the explored values of 𝑁, a regime that has never been reached with ergodic algorithms. Moreover, we are able to precisely estimate the finite-size systematics related to topological freezing, and to show the suppression of finite-volume effects expected by virtue of large-𝑁 twisted volume reduction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1982

Feedback stabilization and control of linear neutral systems

The first problem treated here is the realization and stabilization of linear neutral systems with discrete delays. It is shown that any autonomous linear neutral system with discrete delays is zero-state equivalent to an abstract linear system over a local ring of operators. Using the abstract model, the basic existence question for neutral realization is then settled. For general infinite dimensional linear systems, there is no precise analog of the finite dimensional state space isomorphism theorem. Because of this, the notion of spectral minimality must be introduced. For the case of single input-single output systems, realizations are obtained that are both minimal and spectrally minimal. Using the Cruz-Hale theory of stable D-operators, conditions are given that ensure that any poles introduced into the realization are strictly contained in the left half plane and indeed are characterized as characteristic values of the D-operator. The problem of the feedback stabilization of neutral systems is then considered using the abstract model. It is shown that, for neutral systems with commensurable delays and a stable D-operator in the sense of Cruz and Hale, Morses theorem (1976) on pole assignment over a PID implies stabilizability in the reachable case.

Tarn, T. J.↗
NASA NTRS1993

Temperature induced distortions in space telescope mirrors

In this paper, it is illustrated how measured instantaneous coefficients of thermal expansion (CTE) can be accurately taken into account when modeling the structural behavior of space based optical systems. In particular, the importance of including CTE spatial variations in the analysis of optical elements is emphasized. A comparison is made between the CTE's of three optical materials commonly used in the construction of space mirrors (ULE, Zerodur, and beryllium). The overall impact that selection of any one of these materials has on thermal distortions is briefly discussed. As an example of how temperature dependent spatial variations in thermal strain can be accurately incorporated in the thermo-structural analysis of a precision optical system, a finite element model is developed, which is used to estimate the thermally induced distortions in the Hubble Space Telescope's (HST) primary mirror. In addition to the structural analysis, the optical aberrations due to thermally induced distortions are also examined. These calculations indicate that thermal distortions in HST's primary mirror contribute mainly to defocus error with a relatively small contribution to spherical aberration.

Nied, H. F.↗