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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Provenance Challenges for Earth Science Dataset Publication

Modern science is increasingly dependent on computational analysis of very large data sets. Organizing, referencing, publishing those data has become a complex problem. Published research that depends on such data often fails to cite the data in sufficient detail to allow an independent scientist to reproduce the original experiments and analyses. This paper explores some of the challenges related to data identification, equivalence and reproducibility in the domain of data intensive scientific processing. It will use the example of Earth Science satellite data, but the challenges also apply to other domains.

Tilmes, Curt↗
NASA NTRS2001

Computation of Nonlinear Backscattering Using a High-Order Numerical Method

The nonlinear Schrodinger equation (NLS) is the standard model for propagation of intense laser beams in Kerr media. The NLS is derived from the nonlinear Helmholtz equation (NLH) by employing the paraxial approximation and neglecting the backscattered waves. In this study we use a fourth-order finite-difference method supplemented by special two-way artificial boundary conditions (ABCs) to solve the NLH as a boundary value problem. Our numerical methodology allows for a direct comparison of the NLH and NLS models and for an accurate quantitative assessment of the backscattered signal.

Fibich, G.↗
DOE OSTI2023

Review of multi-fidelity models

Multi-fidelity models provide a framework for integrating computational models of varying complexity, allowing for accurate predictions while optimizing computational resources. These models are especially beneficial when acquiring high-accuracy data is costly or computationally intensive. This review offers a comprehensive analysis of multi-fidelity models, focusing on their applications in scientific and engineering fields, particularly in optimization and uncertainty quantification. It classifies publications on multi-fidelity modeling according to several criteria, including application area, surrogate model selection, types of fidelity, combination methods and year of publication. The study investigates techniques for combining different fidelity levels, with an emphasis on multi-fidelity surrogate models. Here this work discusses reproducibility, open-sourcing methodologies and benchmarking procedures to promote transparency. The manuscript also includes educational toy problems to enhance understanding. Additionally, this paper outlines best practices for presenting multi-fidelity-related savings in a standardized, succinct and yet thorough manner. The review concludes by examining current trends in multi-fidelity modeling, including emerging techniques, recent advancements, and promising research directions.

42 ENGINEERING↗
NASA NTRS1980

A mixed-mode crack analysis of rectilinear anisotropic solids using conservation laws of elasticity

A very simple and convenient method of analysis for studying two-dimensional mixed-mode crack problems in rectilinear anisotropic solids is presented. The analysis is formulated on the basis of conservation laws of anisotropic elasticity and of fundamental relationships in anisotropic fracture mechanics. The problem is reduced to a system of linear algebraic equations in mixed-mode stress intensity factors. One of the salient features of the present approach is that it can determine directly the mixed-mode stress intensity solutions from the conservation integrals evaluated along a path removed from the crack-tip region without the need of solving the corresponding complex near-field boundary value problem. Several examples with solutions available in the literature are solved to ensure the accuracy of the current analysis. This method is further demonstrated to be superior to other approaches in its numerical simplicity and computational efficiency. Solutions of more complicated and practical engineering problems dealing with the crack emanating from a circular hole in composites are presented also to illustrate the capacity of this method.

Wang, S. S.↗
NASA NTRS1990

A vectorized Lanczos eigensolver for high-performance computers

The computational strategies used to implement a Lanczos-based-method eigensolver on the latest generation of supercomputers are described. Several examples of structural vibration and buckling problems are presented that show the effects of using optimization techniques to increase the vectorization of the computational steps. The data storage and access schemes and the tools and strategies that best exploit the computer resources are presented. The method is implemented on the Convex C220, the Cray 2, and the Cray Y-MP computers. Results show that very good computation rates are achieved for the most computationally intensive steps of the Lanczos algorithm and that the Lanczos algorithm is many times faster than other methods extensively used in the past.

Bostic, Susan W.↗
DOE OSTI2016

Hybrid optimization and Bayesian inference techniques for a non-smooth radiation detection problem

In this paper, we propose several algorithms to recover the location and intensity of a radiation source located in a simulated 250 × 180 m block of an urban center based on synthetic measurements. Radioactive decay and detection are Poisson random processes, so we employ likelihood functions based on this distribution. Owing to the domain geometry and the proposed response model, the negative logarithm of the likelihood is only piecewise continuous differentiable, and it has multiple local minima. To address these difficulties, we investigate three hybrid algorithms composed of mixed optimization techniques. For global optimization, we consider simulated annealing, particle swarm, and genetic algorithm, which rely solely on objective function evaluations; that is, they do not evaluate the gradient in the objective function. By employing early stopping criteria for the global optimization methods, a pseudo-optimum point is obtained. This is subsequently utilized as the initial value by the deterministic implicit filtering method, which is able to find local extrema in non-smooth functions, to finish the search in a narrow domain. These new hybrid techniques, combining global optimization and implicit filtering address, difficulties associated with the non-smooth response, and their performances, are shown to significantly decrease the computational time over the global optimization methods. To quantify uncertainties associated with the source location and intensity, we employ the delayed rejection adaptive Metropolis and DiffeRential Evolution Adaptive Metropolis algorithms. Finally, marginal densities of the source properties are obtained, and the means of the chains compare accurately with the estimates produced by the hybrid algorithms.

42 ENGINEERING↗
NASA NTRS1988

Psychological tools for knowledge acquisition

Knowledge acquisition is said to be the biggest bottleneck in the development of expert systems. The problem is getting the knowledge out of the expert's head and into a computer. In cognitive psychology, characterizing metal structures and why experts are good at what they do is an important research area. Is there some way that the tools that psychologists have developed to uncover mental structure can be used to benefit knowledge engineers? We think that the way to find out is to browse through the psychologist's toolbox to see what there is in it that might be of use to knowledge engineers. Expert system developers have relied on two standard methods for extracting knowledge from the expert: (1) the knowledge engineer engages in an intense bout of interviews with the expert or experts, or (2) the knowledge engineer becomes an expert himself, relying on introspection to uncover the basis of his own expertise. Unfortunately, these techniques have the difficulty that often the expert himself isn't consciously aware of the basis of his expertise. If the expert himself isn't conscious of how he solves problems, introspection is useless. Cognitive psychology has faced similar problems for many years and has developed exploratory methods that can be used to discover cognitive structure from simple data.

Rueter, Henry H.↗
NASA NTRS1989

Microwave and camera sensor fusion for the shape extraction of metallic 3D space objects

The vacuum of space presents special problems for optical image sensors. Metallic objects in this environment can produce intense specular reflections and deep shadows. By combining the polarized RCS with an incomplete camera image, it has become possible to better determine the shape of some simple three-dimensional objects. The radar data are used in an iterative procedure that generates successive approximations to the target shape by minimizing the error between computed scattering cross-sections and the observed radar returns. Favorable results have been obtained for simulations and experiments reconstructing plates, ellipsoids, and arbitrary surfaces.

Shaw, Scott W.↗
DOE OSTI2013

A diffusive information preservation method for small Knudsen number flows

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker–Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ∼ 10{sup −3}–10{sup −4} have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Scalable implementations of accurate excited-state coupled cluster theories: application of high-level methods to porphyrin based systems

The development of reliable tools for excited-state simulations is emerging as an extremely powerful computational chemistry tool for understanding complex processes in the broad class of light harvesting systems and optoelectronic devices. Over the last years we have been developing equation of motion coupled cluster (EOMCC) methods capable of tackling these problems. In this paper we discuss the parallel performance of EOMCC codes which provide accurate description of the excited-state correlation effects. Two aspects are discuss in details: (1) a new algorithm for the iterative EOMCC methods based on the novel task scheduling algorithms, and (2) parallel algorithms for the non-iterative methods describing the effect of triply excited configurations. We demonstrate that the most computationally intensive non-iterative part can take advantage of 210,000 cores of the Cray XT5 system at OLCF. In particular, we demonstrate the importance of non-iterative many-body methods for achieving experimental level of accuracy for several porphyrin-based system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Three-dimensional crack problems

Methods for solving three dimensional crack problems are discussed. The stress intensity factor for the case of uniform pressure on the surface crack is analysis. An analysis of concentrated forces acting on the crack faces parallel to the crack front of a half-plane crack was made. Two dimensional calculations were made using the exact solution for the stress field around an elliptical hole in a uniformly stretched plate. The strain energy density was computed in the neighborhood of the ends of narrow, but sharp, ellipses.

Hartranft, R. J.↗
NASA NTRS1987

An evaluation of Turbo Prolog with an emphasis on its application to the development of expert systems

Turbo Prolog is a recently available, compiled version of the programming language Prolog. Turbo Prolog is designed to provide not only a Prolog compiler, but also a program development environment for the IBM Personal Computer family. An evaluation of Turbo Prolog was made, comparing its features to other versions of Prolog and to the community of languages commonly used in artificial intelligence (AI) research and development. Three programs were employed to determine the execution speed of Turbo Prolog applied to various problems. The results of this evaluation demonstrated that Turbo Prolog can perform much better than many commonly employed AI languages for numerically intensive problems and can equal the speed of development languages such as OPS5+ and CLIPS, running on the IBM PC. Applications for which Turbo Prolog is best suited include those which (1) lend themselves naturally to backward-chaining approaches, (2) require extensive use of mathematics, (3) contain few rules, (4) seek to make use of the window/color graphics capabilities of the IBM PC, and (5) require linkage to programs in other languages to form a complete executable image.

Loftin, Richard B.↗
NASA NTRS1987

Advanced decision aiding techniques applicable to space

RADC has had an intensive program to show the feasibility of applying advanced technology to Air Force decision aiding situations. Some aspects of the program, such as Satellite Autonomy, are directly applicable to space systems. For example, RADC has shown the feasibility of decision aids that combine the advantages of laser disks and computer generated graphics; decision aids that interface object-oriented programs with expert systems; decision aids that solve path optimization problems; etc. Some of the key techniques that could be used in space applications are reviewed. Current applications are reviewed along with their advantages and disadvantages, and examples are given of possible space applications. The emphasis is to share RADC experience in decision aiding techniques.

Kruchten, Robert J.↗
DOE OSTI2013

Basophile: Accurate Fragment Charge State Prediction Improves Peptide Identification Rates

In shotgun proteomics, database search algorithms rely on fragmentation models to predict fragment ions that should be observed for a given peptide sequence. The most widely used strategy (Naive model) is oversimplified, cleaving all peptide bonds with equal probability to produce fragments of all charges below that of the precursor ion. More accurate models, based on fragmentation simulation, are too computationally intensive for on-the-fly use in database search algorithms. We have created an ordinal-regression-based model called Basophile that takes fragment size and basic residue distribution into account when determining the charge retention during CID/higher-energy collision induced dissociation (HCD) of charged peptides. This model improves the accuracy of predictions by reducing the number of unnecessary fragments that are routinely predicted for highly-charged precursors. Basophile increased the identification rates by 26% (on average) over the Naive model, when analyzing triply-charged precursors from ion trap data. Basophile achieves simplicity and speed by solving the prediction problem with an ordinal regression equation, which can be incorporated into any database search software for shotgun proteomic identification.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Discrete Green’s functions and spectral graph theory for computationally efficient thermal modeling

Here, this work concerns solutions of the heat equation with the spectral graph method, for which the temperature is defined at discrete points in the domain and the spatial relationship among the points is described by a graph. The heat equation on the graph is solved using matrix techniques involving the eigenvectors and eigenvalues of the Laplacian matrix. The spectral graph approach precludes the computationally intensive meshing and numerous time-integration steps of the finite element method. In the present work, the spectral graph method is extended to include heat loss at the boundaries with a generalized boundary condition, and physics-based edge weights are introduced which simplify the calibration process. From this approach a discrete Green’s function is defined which allows for solutions under a variety of heating conditions including: space-varying initial conditions; time-and-space varying internal heating; and, time-and-space-varying heating at boundaries of type 1 (Dirichlet), type 2 (Neumann) and type 3 (Robin). Results are provided for benchmark heat transfer problems in one spatial dimension and in three spatial dimensions, and verification is provided by comparison with exact analytical solutions and finite difference solutions. The spectral graph method converges within 0.4% error of the analytical solution. The practical utility of the approach is demonstrated by thermal simulation of a multilayer additive manufacturing process. The spectral graph results are compared to experimentally-obtained temperature data for two metal parts, with error less than 5% of the experimental measurements, with computation time less than one minute on a desktop computer.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Aeroacoustics of Turbulent High-Speed Jets

Aeroacoustic noise generation in a supersonic round jet is studied to understand in particular the effect of turbulence structure on the noise without numerically compromising the turbulence itself. This means that direct numerical simulations (DNS's) are needed. In order to use DNS at high enough Reynolds numbers to get sufficient turbulence structure we have decided to solve the temporal jet problem, using periodicity in the direction of the jet axis. Physically this means that turbulent structures in the jet are repeated in successive downstream cells instead of being gradually modified downstream into a jet plume. Therefore in order to answer some questions about the turbulence we will partially compromise the overall structure of the jet. The first section of chapter 1 describes some work on the linear stability of a supersonic round jet and the implications of this for the jet noise problem. In the second section we present preliminary work done using a TVD numerical scheme on a CM5. This work is only two-dimensional (plane) but shows very interesting results, including weak shock waves. However this is a nonviscous computation and the method resolves the shocks by adding extra numerical dissipation where the gradients are large. One wonders whether the extra dissipation would influence small turbulent structures like small intense vortices. The second chapter is an extensive discussion of preliminary numerical work using the spectral method to solve the compressible Navier-Stokes equations to study turbulent jet flows. The method uses Fourier expansions in the azimuthal and streamwise direction and a 1-D B-spline basis representation in the radial direction. The B-spline basis is locally supported and this ensures block diagonal matrix equations which are solved in O(N) steps. A very accurate highly resolved DNS of a turbulent jet flow is expected.

Rao, Ram Mohan↗
DOE OSTI2018

Coupled Electron-Photon Monte Carlo Radiation Transport for Next-Generation Computing Systems

Traditional Monte Carlo particle transport codes are expected to run inefficiently on next-generation architectures as they are memory-intensive and highly divergent. Since electrons and photons also behave differently, the future for coupled electron-photon radiation transport looks even worse. This project describes preliminary efforts to improve the performance of Monte Carlo particle transport codes when using accelerators like the graphics processing unit (GPU). Two key issues are addressed: how to handle memory-intensive tallies, and how to reduce divergence. Tallying on the GPU can be done efficiently by post-processing particle data, or by using a feature called warp shuffle for summing scores in parallel during the simulation. Reducing divergence is possible by using an event-based algorithm for particle tracking instead of the traditional history-based one. Although performance tests presented in this work show that the history-based algorithm generally outperformed the event-based one for simple problems, this outcome will likely change as the complexity of the code increases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗