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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Parallel-in-Time Simulation of Lindblad's Equation

Constructing fast quantum logic gates is critical to building a scalable quantum computer. We consider a qudit, a quantum version of a bit that can take an arbitrary number of states, coupled with a cavity. In this project, we wish to force the qudit to reach the 0-state, for any possible initial state. The coupled system changes in time according to Lindblad’s equation, an ordinary differential equation on the density matrix of the quantum system. Lindblad’s equation contains some parameters that we can control, so-called control functions. We seek control functions which force the qudit to the 0-state within 2 microseconds, which is much faster than what is currently done in practice. The search method is gradient descent, a numerical optimization method that uses gradient information to iteratively improve the control parameters. My contribution to this project is an attempt to speed up the computation of the gradient. It currently takes about 40 seconds to compute the gradient which involves solving a set of ODEs sequentially. Current supercomputers have thousands of cores, but sequential computations can only make use of 1 core at a time. We wish to divide up the work better, so that we can use many more cores at once. To this end, we have implemented the Multigrid Reduction in Time (MGRIT) algorithm. We perform a systematic parameter search on how to best apply this algorithm. Results indicate a 25 percent speed up for solving Lindblad’s equation and determining how close the final state is the 0-state.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Impact of Increased Latent Generations on Sensitivity Calculations with SCALE [Slides]

Depending on the system, energy, and/or nuclide, altering the number of latent generations can significantly impact generated sensitivity coefficients. In general, as the number of latent generations increases, the accuracy of the generated sensitivity value compared with the DP value increases and there is a significant increase in the uncertainty with generated sensitivity values. IFP generated sensitivities appear to be more stable than those with CLUTCH. Complex systems, even with IFP and increased latent generations can still produce poor results (i.e., MPC- 32). This reiterates the importance of performing DPs to confirm sensitivities. IFP-Shift and CLUTCH can take advantage of parallel computing abilities. Work continues in this area as additional parameters and calculational methods are examined to provide analysts insights to successfully generating sensitivity coefficients for confirmatory analyses and validation efforts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Compiling Quantum Circuits for Dynamically Field-Programmable Neutral Atoms Array Processors

Dynamically field-programmable qubit arrays (DPQA) have recently emerged as a promising platform for quantum information processing. In DPQA, atomic qubits are selectively loaded into arrays of optical traps that can be reconfigured during the computation itself. Leveraging qubit transport and parallel, entangling quantum operations, different pairs of qubits, even those initially far away, can be entangled at different stages of the quantum program execution. Such reconfigurability and non-local connectivity present new challenges for compilation, especially in the layout synthesis step which places and routes the qubits and schedules the gates. In this paper, we consider a DPQA architecture that contains multiple arrays and supports 2D array movements, representing cutting-edge experimental platforms. Within this architecture, we discretize the state space and formulate layout synthesis as a satisfiability modulo theories problem, which can be solved by existing solvers optimally in terms of circuit depth. For a set of benchmark circuits generated by random graphs with complex connectivities, our compiler OLSQ-DPQA reduces the number of two-qubit entangling gates on small problem instances by 1.7x compared to optimal compilation results on a fixed planar architecture. To further improve scalability and practicality of the method, we introduce a greedy heuristic inspired by the iterative peeling approach in classical integrated circuit routing. Using a hybrid approach that combined the greedy and optimal methods, we demonstrate that our DPQA-based compiled circuits feature reduced scaling overhead compared to a grid fixed architecture, resulting in 5.1X less two-qubit gates for 90 qubit quantum circuits. These methods enable programmable, complex quantum circuits with neutral atom quantum computers, as well as informing both future compilers and future hardware choices.

Physics↗
DOE OSTI2021

Models and Processes to Extract Drug-like Molecules From Natural Language Text

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is molecules that have been reported in the scientific literature to be drug-like in the context of viral research. However, this literature is too large for human review and features unusual vocabularies for which existing named entity recognition (NER) models are ineffective. We report here on a project that leverages both human and artificial intelligence to detect references to such molecules in free text. We present 1) a iterative model-in-the-loop method that makes judicious use of scarce human expertise in generating training data for a NER model, and 2) the application and evaluation of this method to the problem of identifying drug-like molecules in the COVID-19 Open Research Dataset Challenge (CORD-19) corpus of 198,875 papers. We show that by repeatedly presenting human labelers only with samples for which an evolving NER model is uncertain, our human-machine hybrid pipeline requires only modest amounts of non-expert human labeling time (tens of hours to label 1778 samples) to generate an NER model with an F-1 score of 80.5%—on par with that of non-expert humans—and when applied to CORD’19, identifies 10,912 putative drug-like molecules. This enriched the computational screening team’s targets by 3,591 molecules, of which 18 ranked in the top 0.1% of all 6.6 million molecules screened for docking against the 3CLPro protein.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Improving an Acoustic Vehicle Detector Using an Iterative Self-Supervision Procedure

In many non-canonical data science scenarios, obtaining, detecting, attributing, and annotating enough high-quality training data is the primary barrier to developing highly effective models. Moreover, in many problems that are not sufficiently defined or constrained, manually developing a training dataset can often overlook interesting phenomena that should be included. To this end, we have developed and demonstrated an iterative self-supervised learning procedure, whereby models are successfully trained and applied to new data to extract new training examples that are added to the corpus of training data. Successive generations of classifiers are then trained on this augmented corpus. Using low-frequency acoustic data collected by a network of infrasound sensors deployed around the High Flux Isotope Reactor and Radiochemical Engineering Development Center at Oak Ridge National Laboratory, we test the viability of our proposed approach to develop a powerful classifier with the goal of identifying vehicles from continuously streamed data and differentiating these from other sources of noise such as tools, people, airplanes, and wind. Using a small collection of exhaustively manually labeled data, we test several implementation details of the procedure and demonstrate its success regardless of the fidelity of the initial model used to seed the iterative procedure. Finally, we demonstrate the method’s ability to update a model to accommodate changes in the data-generating distribution encountered during long-term persistent data collection.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Stacked networks improve physics-informed training: Applications to neural networks and deep operator networks

Physics-informed neural networks and operator networks have shown promise for effectively solving equations modeling physical systems. However, these networks can happen to be difficult or impossible to train accurately. Here, we present a novel multifidelity framework for stacking physics-informed neural networks and operator networks that facilitates training. We successively build a chain of networks, where the output at one step can act as a low-fidelity input for training a longer chain, gradually increasing the expressivity of the learnt model. The equations imposed at each step of the iterative process can be the same or different (akin to simulated annealing). The iterative (stacking) nature of the proposed method allows us to learn progressively features of a solution which could have been hard to learn directly. Through benchmark problems including a nonlinear pendulum, the wave equation, and the viscous Burgers equation, we show how stacking can be used to improve the accuracy and reduce the required size of physics-informed neural networks and operator networks.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Computer programs for the solution of systems of linear algebraic equations

FORTRAN subprograms for the solution of systems of linear algebraic equations are described, listed, and evaluated in this report. Procedures considered are direct solution, iteration, and matrix inversion. Both incore methods and those which utilize auxiliary data storage devices are considered. Some of the subroutines evaluated require the entire coefficient matrix to be in core, whereas others account for banding or sparceness of the system. General recommendations relative to equation solving are made, and on the basis of tests, specific subprograms are recommended.

Sequi, W. T.↗
NASA NTRS1972

Automated design and optimization of flexible booster autopilots via linear programming, volume 1

A nonlinear programming technique was developed for the automated design and optimization of autopilots for large flexible launch vehicles. This technique, which resulted in the COEBRA program, uses the iterative application of linear programming. The method deals directly with the three main requirements of booster autopilot design: to provide (1) good response to guidance commands; (2) response to external disturbances (e.g. wind) to minimize structural bending moment loads and trajectory dispersions; and (3) stability with specified tolerances on the vehicle and flight control system parameters. The method is applicable to very high order systems (30th and greater per flight condition). Examples are provided that demonstrate the successful application of the employed algorithm to the design of autopilots for both single and multiple flight conditions.

Hauser, F. D.↗
NASA NTRS1979

Low speed airfoil design and analysis

A low speed airfoil design and analysis program was developed which contains several unique features. In the design mode, the velocity distribution is not specified for one but many different angles of attack. Several iteration options are included which allow the trailing edge angle to be specified while other parameters are iterated. For airfoil analysis, a panel method is available which uses third-order panels having parabolic vorticity distributions. The flow condition is satisfied at the end points of the panels. Both sharp and blunt trailing edges can be analyzed. The integral boundary layer method with its laminar separation bubble analog, empirical transition criterion, and precise turbulent boundary layer equations compares very favorably with other methods, both integral and finite difference. Comparisons with experiment for several airfoils over a very wide Reynolds number range are discussed. Applications to high lift airfoil design are also demonstrated.

Eppler, R.↗
NASA NTRS1979

A split finite element algorithm for the compressible Navier-Stokes equations

An accurate and efficient numerical solution algorithm is established for solution of the high Reynolds number limit of the Navier-Stokes equations governing the multidimensional flow of a compressible essentially inviscid fluid. Finite element interpolation theory is used within a dissipative formulation established using Galerkin criteria within the Method of Weighted Residuals. An implicit iterative solution algorithm is developed, employing tensor product bases within a fractional steps integration procedure, that significantly enhances solution economy concurrent with sharply reduced computer hardware demands. The algorithm is evaluated for resolution of steep field gradients and coarse grid accuracy using both linear and quadratic tensor product interpolation bases. Numerical solutions for linear and nonlinear, one, two and three dimensional examples confirm and extend the linearized theoretical analyses, and results are compared to competitive finite difference derived algorithms.

Baker, A. J.↗
NASA NTRS1979

An analysis of thermal stress and gas bending effects on vibrations of compressor rotor stages

A preliminary study conducted by Kerrebrock et al. (1976) has shown that the torsional rigidity of untwisted thin blades of a transonic compressor can be reduced significantly by transient thermal stresses. The aerodynamic loads have various effects on blade vibration. One effect is that gas bending loads may result in a bending-torsion coupling which may change the characteristics of the torsion and bending vibration of the blade. For a general study of transient-temperature distribution within a rotor stage, a finite-element heat-conduction analysis was developed. The blade and shroud are divided into annular elements. With a temperature distribution obtained from the heat-conduction analysis and a prescribed gas bending load distribution along the blade span, the static deformation and moment distributions of the blade can be solved iteratively using the finite-element method. The reduction of the torsional rigidity of pretwisted blades caused by the thermal stress effect is then computed. The dynamic behavior of the blade is studied by a modified Galerkin's method.

Chen, L.-T.↗
NASA NTRS1982

Numerical comparisons of nonlinear convergence accelerators

As part of a continuing program of numerical tests of convergence accelerators, the iterated Aitken's Delta-squared method, Wynn's epsilon algorithm, Brezinski's theta algorithm, and Levin's u transform are compared on a broad range of test problems: linearly convergence alternating, monotone, and irregular-sign series, logarithmically convergent series, power method and Bernoulli method sequences, alternating and monotone asymptotic series, and some perturbation series arising in applications. In each category either the epsilon algorithm or the u transform gives the best results of the four methods tested. In some cases differences among methods are slight, and in others they are quite striking.

Smith, D. A.↗
NASA NTRS1983

Some characteristic quantities of Karman-Trefftz profiles

For von Karman-Trefftz profiles, the characteristics which determine profile shape (profile nose dimensions, maximum thickness and position: tail slope and curvature) are stated as a function of transformation variables using the Timman method. The profile is obtained by iterative deformation of a von Karman profile with known transformation, corresponding as well as possible to the desired profile. The figures and relations which enable a good choice of the required profile are given.

Blom, J. J. H.↗
NASA NTRS1986

Evaluation of several modal methods for transient structural analysis

The convergence properties of three modal methods for solving structural transient response (STR) problems are examined by comparing the accuracy of the total number of modes used to represent the responses. The goal is to identify a method which involves as few degrees of freedom as possible. Two mode superposition methods, the mode displacement method (MDM) and the mode acceleration method (MAM), are fitted with equivalent expressions for damped response. An error norm is employed to compare the accuracies of the methods in calculating displacements, moments, and shear forces for a viscously-damped cantilevered beam experiencing several dynamic loading conditions and levels of damping. The MAM converges quicker and uses fewer dof, mainly because it has a pseudo-static response term which accounts for some of the flexibility of higher modes. A third method, which integrates the convolution integral iteratively over time, generates a higher order approximation to the STR with a reduced number of modes. It converges fastest among the three, but requires definition of an appropriate forcing function. Finally, the MAM and MDM models are applied to study the effects of the forcing frequency and the initial conditions.

Camarda, Charles J.↗
NASA NTRS1989

Development of kinematic equations and determination of workspace of a 6 DOF end-effector with closed-kinematic chain mechanism

This report presents results from the research grant entitled Active Control of Robot Manipulators, funded by the Goddard Space Flight Center, under Grant NAG5-780, for the period July 1, 1988 to January 1, 1989. An analysis is presented of a 6 degree-of-freedom robot end-effector built to study telerobotic assembly of NASA hardware in space. Since the end-effector is required to perform high precision motion in a limited workspace, closed-kinematic mechanisms are chosen for its design. A closed-form solution is obtained for the inverse kinematic problem and an iterative procedure employing Newton-Raphson method is proposed to solve the forward kinematic problem. A study of the end-effector workspace results in a general procedure for the workspace determination based on link constraints. Computer simulation results are presented.

Nguyen, Charles C.↗
NASA NTRS1989

Analysis of the transient compressible vapor flow in heat pipe

The transient compressible one-dimensional vapor flow dynamics in a heat pipe is modeled. The numerical results are obtained by using the implicit non-iterative Beam-Warming finite difference method. The model is tested for simulated heat pipe vapor flow and actual flow in cylindrical heat pipes. A good comparison of the present transient results for the simulated heat pipe vapor flow with the previous results of a two-dimensional numerical model is achieved and the steady state results are in agreement with the existing experimental data. The transient behavior of the vapor flow under subsonic, sonic, and supersonic speeds and high mass flow rates are successfully predicted. The one-dimensional model also describes the vapor flow dynamics in cylindrical heat pipes at high temperatures.

Jang, Jong Hoon↗
NASA NTRS1988

Inversion of the Solar Rotation Rate Versus Depth and Latitude

Three differential inversion techniques were used to compute the internal solar rotation rate from several sets of n-averaged frequency splittings. An iterative variation of the spectral expansion method; the optimal averaging kernel method; and a piecewise constant constrained least square method were used to invert the data. Each computation was carried out independently. While they present similar trends, each of the solutions differs in detail. A consistent feature in all the inversions is the disappearance of differential rotation below the base of the convection zone. Also, a strong differential signature in the deeper part of the convection zone is present in most of the solutions. A slow decrease of the rotation rate with depth for the equatorial and midlatitude curves is significant in the spectral expansion and the least square results but only marginally apparent in the averaging kernel results.

Korzennik, Sylvain G.↗
NASA NTRS1989

Analysis of the transient compressible vapor flow in heat pipes

The transient compressible one-dimensional vapor flow dynamics in a heat pipe is modeled. The numerical results are obtained by using the implicit non-iterative Beam-Warming finite difference method. The model is tested for simulated heat pipe vapor flow and actual vapor flow in cylindrical heat pipes. A good comparison of the present transient results for the simulated heat pipe vapor flow with the previous results of a two-dimensional numerical model is achieved and the steady state results are in agreement with the existing experimental data. The transient behavior of the vapor flow under subsonic, sonic, and supersonic speeds and high mass flow rates are successfully predicted. The one-dimensional model also describes the vapor flow dynamics in cylindrical heat pipes at high temperatures.

Jang, J. H.↗