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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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Generic Discretization Library

The GenDiL library is a collection of C++ software abstractions designed to discretize and solve partial differential equations (PDEs) for high-performance computing (HPC) applications. Its primary focus is on modern C++ generic programming, which helps ensure portability across various hardware architectures. The central idea behind the library is to provide building blocks for numerical algorithms-such as discretization methods and iteration patterns-so that domain experts can focus on the math, rather than the low-level details of hardware or implementation. By defining abstractions for data types, iteration over computational grids, and scheduling of operations, the library isolates the high-level PDE algorithms from the platform-specific optimizations needed to achieve efficient performance.

Dudouit, Yohann [Lawrence Livermore National Labor↗

Dynamic Graph Sequence Data from Simulated Neutron Reflectometry Measurements

This dataset comprises dynamic graph sequences derived from simulated in-situ neutron reflectometry measurements, capturing the gradual evolution of a layer structure over time. Each graph sequence represents a synthetic sample, with node features detailing the scattering vector and corresponding reflectivity measurements, while adjacency matrices have corresponding reference material parameters attached as metadata. The dataset spans multiple sets, each with a different number of sequences, offering a comprehensive basis for training models that handle dynamic input sequences with embedded physics. This dataset is particularly suited for tackling inverse problems with hidden physical states that evolve over time, challenges that are typically difficult to address using conventional iterative fitting methods.

36 MATERIALS SCIENCE↗

Impact of Time Dependent Reactor and Sensor Physics on Core Power Synthesis

Online synthesis of the power distribution is critical in the operation and control of nuclear power reactors to ensure that the core is operating within safety margins, and to provide essential knowledge associated with the burnup of the fuel. In light water reactors (LWRs), power synthesis is achieved by using some a priori knowledge of the state of the reactor core and updating based on the signals coming from in-core sensors—namely, self-powered neutron detectors (SPNDs). This report aims to study the effects of fuel burnup and sensor degradation on the ability to accurately synthesize the power distribution in a LWR. Several modeling tools were used to simulate power synthesis based on the responses of SPNDs, with emitters made out of Rh or V. A representative pressurized water reactor low-enriched uranium (LEU) core was modeled using the Polaris/Purdue Advanced Reactor Core Simulator (PARCS) approach. The Monte Carlo N-Particle Transport 6 (MCNP6) code was used, as well, to calculate response functions between different segments of fuel to individual SPNDs; this is a crucial parameter for power synthesis. The Oak Ridge Isotope GENeration (ORIGEN) package in the Standardized Computer Analyses for Licensing Evaluation (SCALE) code was used to model the time-dependent isotopic transmutation in the SPND emitters. All these data were fed into a custom code that enacted the point-based iterative (PBI) method to simulate power synthesis. Developmental work was also performed on high-fidelity SPND models in the GEometry ANd Tracking 4 (Geant4) code, which enables higher-accuracy modeling of the current responses from SPNDs. In this work, five sets of time-dependent power synthesis test cases were conducted. In these test cases, systematic changes in the input conditions enabled an analysis of the effect of (1) slightly inaccurate a priori power distribution assumptions with respect to fuel burnup, (2) highly inaccurate a priori assumptions with respect to fuel burnup (such that burnup is not included in the a priori assumed distribution), and (3) differences between Rh and V SPNDs in terms of downstream consequences of the transmutation in the emitters. The authors discovered that one may permissibly have slightly inaccurate a priori assumptions of the fuel burnup (such that the level of burnup may be slightly under- or over-approximated by the accumulated burnup in approximately 9.3 full power days), but to not account for burnup at all in the a priori assumption leads to severe levels of error, approaching 25% at maximum. The authors also discovered that V SPNDs are extraordinarily robust in the low-enriched uranium fuel cycle considered in this modeling work, whereas Rh SPNDs undergo significant transmutation that can result in large errors in the synthesized power distribution.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications

In this paper, we explore using the Harrow–Hassidim–Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation package on a high-performance computing platform. Focusing on domains such as power-grid management and climate projection, we demonstrate the correlations of the accuracy of quantum phase estimation, along with various properties of coefficient matrices, on the final solution and quantum resource cost in iterative and non-iterative numerical methods such as the Newton–Raphson method and finite difference method, as well as their impacts on quantum error correction costs using the Microsoft Azure Quantum resource estimator. We summarize the exponential resource cost from quantum phase estimation before and after quantum error correction and illustrate a potential way to reduce the demands on physical qubits. This work lays down a preliminary step for future investigations, urging a closer examination of quantum algorithms’ scalability and efficiency in domain applications.

hybrid software for QC-HPC↗

Analysis of an arched outer-race ball bearing considering centrifugal forces

A Newton-Raphson method of iteration was used in evaluating the radial and axial projection of the distance between the ball center and the outer raceway groove curvature center (V and W). Fatigue life evaluations were made. The similar analysis of a conventional bearing can be directly obtained from the arched bearing analysis by simply letting the amount of arching be zero (g = 0) and not considering equations related to the unloaded half of the outer race. The analysis was applied to a 150-mm angular contact ball bearing. Results for life, contact loads, and angles are shown for a conventional bearing (g = 0) and two arched bearings (g = 0.127 mm (0.005 in.), and 0.254 mm (0.010 in.)). The results indicate that an arched bearing is highly desirable for high speed applications. In particular, for a DN value of 3 million (20,000 rpm) and an applied axial load of 4448 N (1000 lb), an arched bearing shows an improvement in life of 306 percent over that of a conventional bearing. At 4.2 million DN (28,000 rpm), the corresponding improvement is 340 percent. It was also found for low speeds, the arched bearing does not offer the advantages that it does for high speed applications.

Hamrock, B. J.↗

Generation of the invariant coefficients of the characteristic polynomial for an nxn matrix

In theories of numerical stability, roots to a characteristic polynomial are sought, which, in the case of the predictor with iterative correction method of numerical integration, are eigenvalues of a matrix whose elements depend on the coefficients used in the integration process. The characteristic polynomial is displayed explicitly in terms of the elements of the characteristic matrix.

Beaudet, P. R.↗

Identification of boiler inlet transfer functions and estimation of system parameters

An iterative computer method is described for identifying boiler transfer functions using frequency response data. An objective penalized performance measure and a nonlinear minimization technique are used to cause the locus of points generated by a transfer function to resemble the locus of points obtained from frequency response measurements. Different transfer functions can be tried until a satisfactory empirical transfer function of the system is found. To illustrate the method, some examples and some results from a study of a set of data consisting of measurements of the inlet impedance of a single tube forced flow boiler with inserts are given.

Miles, J. H.↗

Analysis of an arched outer-race ball bearing considering centrifugal forces.

Thrust-load analysis of a 150-mm angular contact ball bearing, taking into account centrifugal forces but omitting gyroscopics, elastohydrodynamics, and thermal effects. A Newton-Raphson method of iteration is used to evaluate the radial and axial projection of the distance between the ball center and the outer raceway groove curvature center. Fatigue life of the bearing is evaluated. Results for life, contact loads, and angles are given for a conventional bearing and two arched bearings.

Hamrock, B. J.↗

Finite element stress analysis of polymers at high strains

A numerical analysis is presented for the problem of a flat rectangular rubber membrane with a circular rigid inclusion undergoing high strains due to the action of an axial load. The neo-hookean constitutive equations are introduced into the general purpose TITUS program by means of equivalent hookean constants and initial strains. The convergence is achieved after a few iterations. The method is not limited to any specific program. The results are in good agreement with those of a company sponsored photoelastic stress analysis. The theoretical and experimental deformed shapes also agree very closely with one another. For high strains it is demonstrated that using the conventional HOOKE law the stress concentration factor obtained is unreliable in the case of rubberlike material.

Durand, M.↗

On optimal soft-decision demodulation

A necessary condition is derived for optimal J-ary coherent demodulation of M-ary (M greater than 2) signals. Optimality is defined as maximality of the symmetric cutoff rate of the resulting discrete memoryless channel. Using a counterexample, it is shown that the condition derived is generally not sufficient for optimality. This condition is employed as the basis for an iterative optimization method to find the optimal demodulator decision regions from an initial 'good guess'. In general, these regions are found to be bounded by hyperplanes in likelihood space; the corresponding regions in signal space are found to have hyperplane asymptotes for the important case of additive white Gaussian noise. Some examples are presented, showing that the regions in signal space bounded by these asymptotic hyperplanes define demodulator decision regions that are virtually optimal.

Lee, L.-N.↗

Elliptic integral solutions to a class of space flight optimization problems

This paper is initially concerned with the minimum-time, exoatmospheric flight of a rocket with constant thrust acceleration magnitude, as in the cases of nuclear and solar electric propulsion. Gravitational acceleration is assumed to be a constant scalar multiple of the radius vector, plus a correction term which is a given function of time. The solution to the state equations is obtained in terms of elliptic integrals. A method is presented for the solution of the two-point boundary-condition problem associated with orbital transfer. At most, the latter method requires iteration upon final time, angle of injection, and two other parameters which are bounded. An example problem is provided which involves a rocket with very low thrust and a spiraling trajectory of many revolutions, but an altitude change of only several hundred miles above the earth. Finally, the original elliptic integral solution is extended to a larger class of low and intermediate thrust problems with constant thrust magnitude, mass decreasing with time, and an inverse square gravitational force.

Andrus, J. F.↗

Phased models for evaluating the performability of computing systems

A phase-by-phase modelling technique is introduced to evaluate a fault tolerant system's ability to execute different sets of computational tasks during different phases of the control process. Intraphase processes are allowed to differ from phase to phase. The probabilities of interphase state transitions are specified by interphase transition matrices. Based on constraints imposed on the intraphase and interphase transition probabilities, various iterative solution methods are developed for calculating system performability.

Wu, L. T.↗

Theoretical study of collinear Be + FH/nu1/ yields BeF/nu2/ + H

The potential energy surface for collinear Be + FH yields BeF + H was studied at various levels of ab initio approximation. A final surface was obtained from a first order configuration interaction wave function, using the iterative orbital method and a medium-sized basis of Slater atomic functions. The exothermicity is computed to be 6 kcal/mole; the barrier height is predicted to be about 28 kcal/mole at a geometry where both internuclear separations are extended by about 0.4 bohr from their asymptotic equilibrium values. This surface differs qualitatively from simple LEPS models.

Schor, H.↗

Non-Gaussian statistical models of surface wave fields for remote sensing applications

Based on the complete Stokes wave model with the bias term and using a simple mapping approach and an iteration solution method, we established a formula for the joint probability density function of the surface slope elevation of a nonlinear random wave field. The formula requires three parameters to define the whole density function: the rms surface elevation and slope values and the significant slope. This model represents the dynamics of the wave in a more direct way than the Gram-Charlier approximation. Based on this new statistical model and laboratory experiments, formula and numerical values of EM bias and dynamics bias are derived. The results indicate that various biases should be considered seriously if accuracy of the altimeter measurement is required in centimeter range.

Huang, N. E.↗