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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 55 records · Page 3

General approaches for achieving high speed computations

The basic organizational approach to achieve high speed computations has been to execute several instructions concurrently. Various algorithmic structures and related computer organizations have been identified and used for this purpose. Each of them is better suited for some classes of applications, provides a potential speed-up with respect to the sequential computer, and suffers from degradation factors that reduce the effective speed-up obtained. The basic algorithmic structures are presented, the corresponding computer organizations described and the potential degradation factors identified. Also included are considerations related to the cost of the system and to the corresponding programming methodology.

Lang, T.↗

Large space structures control algorithm characterization

Feedback control algorithms are developed for sensor/actuator pairs on large space systems. These algorithms have been sized in terms of (1) floating point operation (FLOP) demands; (2) storage for variables; and (3) input/output data flow. FLOP sizing (per control cycle) was done as a function of the number of control states and the number of sensor/actuator pairs. Storage for variables and I/O sizing was done for specific structure examples.

Fogel, E.↗

Optimization of transformer ratio and beam loading in a plasma wakefield accelerator with a structure-exploiting algorithm

Plasma-based acceleration has emerged as a promising candidate as an accelerator technology for a future linear collider or a next-generation light source. We consider the plasma wakefield accelerator (PWFA) concept where a plasma wave wake is excited by a particle beam and a trailing beam surfs on the wake. For a linear collider, the energy transfer efficiency from the drive beam to the wake and from the wake to the trailing beam must be large, while the emittance and energy spread of the trailing bunch must be preserved. One way to simultaneously achieve this when accelerating electrons is to use longitudinally shaped bunches and nonlinear wakes. In the linear regime, there is an analytical formalism to obtain the optimal shapes. In the nonlinear regime, however, the optimal shape of the driver to maximize the energy transfer efficiency cannot be precisely obtained because currently no theory describes the wake structure and excitation process for all degrees of nonlinearity. In addition, the ion channel radius is not well defined at the front of the wake where the plasma electrons are not fully blown out by the drive beam. We present results using a novel optimization method to effectively determine a current profile for the drive and trailing beam in PWFA that provides low energy spread, low emittance, and high acceleration efficiency. We parameterize the longitudinal beam current profile as a piecewise-linear function and define optimization objectives. For the trailing beam, the algorithm converges quickly to a nearly inverse trapezoidal trailing beam current profile similar to that predicted by the ultrarelativistic limit of the nonlinear wakefield theory. For the drive beam, the beam profile found by the optimization in the nonlinear regime that maximizes the transformer ratio also resembles that predicted by linear theory. Furthermore, the current profiles found from the optimization method provide higher transformer ratios compared with the linear ramp predicted by the relativistic limit of the nonlinear theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Theoretical search for possible Li–Ni–B crystal structures using an adaptive genetic algorithm

The structural diversity of rare-earth and transition metal borides indicates that alkali-transition metal borides (A-T-B) show tremendous promise in exhibiting a variety of crystal structures with different dimensionalities of T-B frameworks. On the other hand, the A-T-B ternary systems are severely underexplored because of the synthetic challenges associated with their preparation. Accurate and efficient computational predictions of low-energy stable and metastable phases can identify the optimal compositions of the hypothetical compounds in the A-T-B systems to guide the synthesis. As such, in this work, we have computationally discovered several new phases in the Li–Ni–B ternary system. The newly discovered LiNiB, Li 2 Ni 3 B, and Li 2 NiB phases expand the existing theoretical database, and the convex-hull surface of Li–Ni–B has been re-constructed. The lowest energy structure of the LiNiB compound has been found by an adaptive genetic algorithm with layered motif, which matches with the experimentally determined structure. According to our electrochemical calculations, LiNiB and another predicted layered Li 2 NiB compounds have great potential as anode materials for lithium batteries. The Li 2 Ni 3 B compound with the space group P4 3 32 was predicted to crystallize in a cubic structure composed of distorted octahedral units of BNi 6 , which is isostructural to two noncentrosymmetric superconductors Li 2 Pd 3 B and Li 2 Pt 3 B. While we were unable to experimentally confirm the Li 2 Ni 3 B compound utilizing the hydride synthetic route, attempts to synthesize this compound by alternate methods remain highly desirable, considering its potential superconducting properties.

36 MATERIALS SCIENCE↗

An Adaptive Mesh Algorithm: Mesh Structure and Generation

The purpose of Adaptive Mesh Refinement is to minimize spatial errors over the computational space not to minimize the number of computational elements. The additional result of the technique is that it may reduce the number of computational elements needed to retain a given level of spatial accuracy. Adaptive mesh refinement is a computational technique used to dynamically select, over a region of space, a set of computational elements designed to minimize spatial error in the computational model of a physical process. The fundamental idea is to increase the mesh resolution in regions where the physical variables are represented by a broad spectrum of modes in k-space, hence increasing the effective global spectral coverage of those physical variables. In addition, the selection of the spatially distributed elements is done dynamically by cyclically adjusting the mesh to follow the spectral evolution of the system. Over the years three types of AMR schemes have evolved; block, patch and locally refined AMR. In block and patch AMR logical blocks of various grid sizes are overlaid to span the physical space of interest, whereas in locally refined AMR no logical blocks are employed but locally nested mesh levels are used to span the physical space. The distinction between block and patch AMR is that in block AMR the original blocks refine and coarsen entirely in time, whereas in patch AMR the patches change location and zone size with time. The type of AMR described herein is a locally refi ned AMR. In the algorithm described, at any point in physical space only one zone exists at whatever level of mesh that is appropriate for that physical location. The dynamic creation of a locally refi ned computational mesh is made practical by a judicious selection of mesh rules. With these rules the mesh is evolved via a mesh potential designed to concentrate the nest mesh in regions where the physics is modally dense, and coarsen zones in regions where the physics is modally sparse.

97 MATHEMATICS AND COMPUTING↗

An improved fully stressed design algorithm for plate/shell structures

The stress-ratio algorithm associated with fully stressed design philosophy has been used as a convenient tool to achieve minimum weight design of strength-limited structures. The algorithm is effective and converges quickly for many cases. However, it presents extremely slow oscillatory iteration histories for plate-thickness design problems that involve transverse bending loads. Modification of the basic algorithm presented in this paper provides an effective remedy to this problem when both membrane and bending loads are present. The modified resizing algorithm requires numerical solutions of a fourth-order algebraic equation. No additional data, beyond the ordinary static analysis results, are required.

Miura, H.↗

Next-Generation Optimization under Uncertainty: Structure-Oriented Algorithms

With the advent of the smart grid, renewable technologies, and carbon emission programs, a key concern is the coordination of national infrastructures such as the electricity, natural gas, and water supply network systems. Anticipating and mitigating uncertainty of weather, demands, and contingencies in a more integrated environment is necessary to maximize resource efficiency and prevent cascading failures that can ultimately lead to catastrophic shortages of supplies. This project developed scalable algorithms for stochastic optimization capable of addressing extreme-scale problems (motivated by challenges in the design and operation of national infrastructures). Specifically, the project developed a new family of algorithms to solve continuous stochastic problems to local and global optimality as well as algorithms to solve mixed-integer convex and nonconvex stochastic programs. We developed supporting local and global convergence theory for these algorithms and implemented the algorithms in open-source software packages that can leverage high-performance computing architectures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An optimal structural design algorithm using optimality criteria

An algorithm for optimal design is given which incorporates several of the desirable features of both mathematical programming and optimality criteria, while avoiding some of the undesirable features. The algorithm proceeds by approaching the optimal solution through the solutions of an associated set of constrained optimal design problems. The solutions of the constrained problems are recognized at each stage through the application of optimality criteria based on energy concepts. Two examples are described in which the optimal member size and layout of a truss is predicted, given the joint locations and loads.

Taylor, J. E.↗

Research on the application of a decoupling algorithm for structure analysis

The mathematical theory for decoupling mth-order matrix differential equations is presented. It is shown that the decoupling precedure can be developed from the algebraic theory of matrix polynomials. The role of eigenprojectors and latent projectors in the decoupling process is discussed and the mathematical relationships between eigenvalues, eigenvectors, latent roots, and latent vectors are developed. It is shown that the eigenvectors of the companion form of a matrix contains the latent vectors as a subset. The spectral decomposition of a matrix and the application to differential equations is given.

Denman, E. D.↗

Display of scientific data structures for algorithm visualization

We present a technique for defining graphical depictions for all the data types defined in an algorithm. The ability to display arbitrary combinations of an algorithm's data objects in a common frame of reference, coupled with interactive control of algorithm execution, provides a powerful way to understand algorithm behavior. Type definitions are constrained so that all primitive values occurring in data objects are assigned scalar types. A graphical display, including user interaction with the display, is modeled by a special data type. Mappings from the scalar types into the display model type provide a simple user interface for controlling how all data types are depicted, without the need for type-specific graphics logic.

Hibbard, William↗

A Structured Quasi-Newton Algorithm for Optimizing with Incomplete Hessian Information

We present a structured quasi-Newton algorithm for unconstrained optimization problems that have unavailable second-order derivatives or Hessian terms. We provide a formal derivation of the well-known Broyden--Fletcher--Goldfarb--Shanno (BFGS) secant update formula that approximates only the missing Hessian terms, and we propose a linesearch quasi-Newton algorithm based on a modification of Wolfe conditions that converges to first-order optimality conditions. We also analyze the local convergence properties of the structured BFGS algorithm and show that it achieves superlinear convergence under the standard assumptions used by quasi-Newton methods using secant updates. In conclusion, we provide a thorough study of the practical performance of the algorithm on the CUTEr suite of test problems and show that our structured BFGS-based quasi-Newton algorithm outperforms the unstructured counterpart(s).

97 MATHEMATICS AND COMPUTING↗

A highly optimized vectorized code for Monte Carlo simulations of SU(3) lattice gauge theories

New methods are introduced for improving the performance of the vectorized Monte Carlo SU(3) lattice gauge theory algorithm using the CDC CYBER 205. Structure, algorithm and programming considerations are discussed. The performance achieved for a 16(4) lattice on a 2-pipe system may be phrased in terms of the link update time or overall MFLOPS rates. For 32-bit arithmetic, it is 36.3 microsecond/link for 8 hits per iteration (40.9 microsecond for 10 hits) or 101.5 MFLOPS.

Barkai, D.↗

An adaptive genetic algorithm for crystal structure prediction

We present a genetic algorithm (GA) for structural search that combines the speed of structure exploration by classical potentials with the accuracy of density functional theory (DFT) calculations in an adaptive and iterative way. This strategy increases the efficiency of the DFT-based GA by several orders of magnitude. This gain allows a considerable increase in the size and complexity of systems that can be studied by first principles. The performance of the method is illustrated by successful structure identifications of complex binary and ternary intermetallic compounds with 36 and 54 atoms per cell, respectively. The discovery of a multi-TPa Mg-silicate phase with unit cell containing up to 56 atoms is also reported. Such a phase is likely to be an essential component of terrestrial exoplanetary mantles.

36 MATERIALS SCIENCE↗