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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Experimental Parallel-Processing Computer

Master processor supervises slave processors, each with its own memory. Computer with parallel processing serves as inexpensive tool for experimentation with parallel mathematical algorithms. Speed enhancement obtained depends on both nature of problem and structure of algorithm used. In parallel-processing architecture, "bank select" and control signals determine which one, if any, of N slave processor memories accessible to master processor at any given moment. When so selected, slave memory operates as part of master computer memory. When not selected, slave memory operates independently of main memory. Slave processors communicate with each other via input/output bus.

Mcgregor, J. W.↗
NASA NTRS1991

Structural reliability methods: Code development status

The Probabilistic Structures Analysis Method (PSAM) program integrates state of the art probabilistic algorithms with structural analysis methods in order to quantify the behavior of Space Shuttle Main Engine structures subject to uncertain loadings, boundary conditions, material parameters, and geometric conditions. An advanced, efficient probabilistic structural analysis software program, NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) was developed as a deliverable. NESSUS contains a number of integrated software components to perform probabilistic analysis of complex structures. A nonlinear finite element module NESSUS/FEM is used to model the structure and obtain structural sensitivities. Some of the capabilities of NESSUS/FEM are shown. A Fast Probability Integration module NESSUS/FPI estimates the probability given the structural sensitivities. A driver module, PFEM, couples the FEM and FPI. NESSUS, version 5.0, addresses component reliability, resistance, and risk.

Millwater, Harry R.↗
DOE OSTI2019

PaKman: Scalable Assembly of Large Genomes on Distributed Memory Machines

De novo genome assembly is a fundamental problem in the field of bioinformatics, that aims to assemble the DNA sequence of an unknown genome from numerous short DNA fragments (aka reads) obtained from it. With the advent of high-throughput sequencing technologies, billions of reads can be generated in a matter of hours, necessitating efficient parallelization of the assembly process. While multiple parallel solutions have been proposed in the past, conducting a large- scale assembly at scale remains a challenging problem because of the inherent complexities associated with data movement, and irregular access footprints of memory and I/O operations. In this paper, we present a novel algorithm, called PaKman, to address the problem of performing large-scale genome assemblies on a distributed memory parallel computer. Our approach focuses on improving performance through a combination of novel data structures and algorithmic strategies for reducing the communication and I/O footprint during the assembly process. A key aspect of our algorithm is its graph data structure, which comprises fat nodes (or what we call "macro-nodes") that reduce the communication burden during contig generation. We present an extensive performance and qualitative evaluation of our algorithm, including comparisons to other state-of-the-art parallel assemblers. Our results demonstrate the ability to achieve near-linear speedups on up to 8K cores (tested); outperform state-of-the-art distributed memory and shared memory tools in performance while delivering comparable (if not better) quality; and reduce time to solution significantly. For instance, PaKman is able to complete an assembly of the full human genome in just over a minute on 8K cores.

Ghosh, Priyanka↗
NASA NTRS1981

On-line structural parameter identification

Algorithms are presented for on-line parameter identification of structural dynamic systems. As an example, they are used to calculate the parameters of a modal model of a flexible beam. The algorithms are tested using hardware consisting of a 12 ft. beam with four voice coil actuators and nine noncontacting displacement sensors. They are programmed in a CDC Cyber 175 digital computer which provides input command signals for the actuators, reads the sensor data, and processes the algorithm to calculate consistent estimates of the modal parameters of the beam. Experimental results are compared with those of simulation analysis.

Thau, F. E.↗
DOE OSTI2023

Fast correlation function calculator: A high-performance pair-counting toolkit

A novel high-performance exact pair-counting toolkit called fast correlation function calculator (FCFC) is presented. With the rapid growth of modern cosmological datasets, the evaluation of correlation functions with observational and simulation catalogues has become a challenge. High-efficiency pair-counting codes are thus in great demand. We introduce different data structures and algorithms that can be used for pair-counting problems, and perform comprehensive benchmarks to identify the most efficient algorithms for real-world cosmological applications. We then describe the three levels of parallelisms used by FCFC, SIMD, OpenMP, and MPI, and run extensive tests to investigate the scalabilities. Finally, we compare the efficiency of FCFC with alternative pair-counting codes. The data structures and histogram update algorithms implemented in FCFC are shown to outperform alternative methods. FCFC does not benefit greatly from SIMD because the bottleneck of our histogram update algorithm is mainly cache latency. Nevertheless, the efficiency of FCFC scales well with the numbers of OpenMP threads and MPI processes, even though speedups may be degraded with over a few thousand threads in total. FCFC is found to be faster than most (if not all) other public pair-counting codes for modern cosmological pair-counting applications.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Krylov vector methods for model reduction and control of flexible structures

Krylov vectors and the concept of parameter matching are combined here to develop model-reduction algorithms for structural dynamics systems. The method is derived for a structural dynamics system described by a second-order matrix differential equation. The reduced models are shown to have a promising application in the control of flexible structures. It can eliminate control and observation spillovers while requiring only the dynamic spillover terms to be considered. A model-order reduction example and a flexible structure control example are provided to show the efficacy of the method.

Su, Tzu-Jeng↗
NASA NTRS1999

Object-Oriented Design for Sparse Direct Solvers

We discuss the object-oriented design of a software package for solving sparse, symmetric systems of equations (positive definite and indefinite) by direct methods. At the highest layers, we decouple data structure classes from algorithmic classes for flexibility. We describe the important structural and algorithmic classes in our design, and discuss the trade-offs we made for high performance. The kernels at the lower layers were optimized by hand. Our results show no performance loss from our object-oriented design, while providing flexibility, case of use, and extensibility over solvers using procedural design.

Dobrian, Florin↗
DOE OSTI2015

Conceptual optimization using genetic algorithms for tube in tube structures

The purpose of this article is to optimize the tube in tube structural systems for tall buildings under the horizontal wind loads. It is well-known that the horizontal wind loads is the main criteria when choosing the structural system, the types and the dimensions of structural elements in the majority of tall buildings. Thus, the structural response of tall buildings under the horizontal wind loads will be analyzed for 40 story buildings and a total height of 120 meters; the horizontal dimensions will be 30m × 30m for the first two optimization problems and 15m × 15m for the third. The optimization problems will have the following as objective function the cross section area, as restrictions the displacement of the building< the admissible displacement (H/500), and as variables the cross section dimensions of the structural elements.

42 ENGINEERING↗
DOE OSTI2015

Comparison of algorithms for determination of rotation measure and Faraday structure. I. 1100–1400 MHz

Faraday rotation measures (RMs) and more general Faraday structures are key parameters for studying cosmic magnetism and are also sensitive probes of faint ionized thermal gas. A definition of which derived quantities are required for various scientific studies is needed, as well as addressing the challenges in determining Faraday structures. A wide variety of algorithms has been proposed to reconstruct these structures. In preparation for the Polarization Sky Survey of the Universe's Magnetism (POSSUM) to be conducted with the Australian Square Kilometre Array Pathfinder and the ongoing Galactic Arecibo L-band Feeds Array Continuum Transit Survey (GALFACTS), we run a Faraday structure determination data challenge to benchmark the currently available algorithms, including Faraday synthesis (previously called RM synthesis in the literature), wavelet, compressive sampling, and QU-fitting. The input models include sources with one Faraday thin component, two Faraday thin components, and one Faraday thick component. The frequency set is similar to POSSUM/GALFACTS with a 300 MHz bandwidth from 1.1 to 1.4 GHz. We define three figures of merit motivated by the underlying science: (1) an average RM weighted by polarized intensity, RM{sub wtd}, (2) the separation Δϕ of two Faraday components, and (3) the reduced chi-squared χ{sub r}{sup 2}. Based on the current test data with a signal-to-noise ratio of about 32, we find the following. (1) When only one Faraday thin component is present, most methods perform as expected, with occasional failures where two components are incorrectly found. (2) For two Faraday thin components, QU-fitting routines perform the best, with errors close to the theoretical ones for RM{sub wtd} but with significantly higher errors for Δϕ. All other methods, including standard Faraday synthesis, frequently identify only one component when Δϕ is below or near the width of the Faraday point-spread function. (3) No methods as currently implemented work well for Faraday thick components due to the narrow bandwidth. (4) There exist combinations of two Faraday components that produce a large range of acceptable fits and hence large uncertainties in the derived single RMs; in these cases, different RMs lead to the same Q, U behavior, so no method can recover a unique input model. Further exploration of all these issues is required before upcoming surveys will be able to provide reliable results on Faraday structures.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1999

Fast Time-Varying Volume Rendering Using Time-Space Partition (TSP) Tree

We present a new, algorithm for rapid rendering of time-varying volumes. A new hierarchical data structure that is capable of capturing both the temporal and the spatial coherence is proposed. Conventional hierarchical data structures such as octrees are effective in characterizing the homogeneity of the field values existing in the spatial domain. However, when treating time merely as another dimension for a time-varying field, difficulties frequently arise due to the discrepancy between the field's spatial and temporal resolutions. In addition, treating spatial and temporal dimensions equally often prevents the possibility of detecting the coherence that is unique in the temporal domain. Using the proposed data structure, our algorithm can meet the following goals. First, both spatial and temporal coherence are identified and exploited for accelerating the rendering process. Second, our algorithm allows the user to supply the desired error tolerances at run time for the purpose of image-quality/rendering-speed trade-off. Third, the amount of data that are required to be loaded into main memory is reduced, and thus the I/O overhead is minimized. This low I/O overhead makes our algorithm suitable for out-of-core applications.

Shen, Han-Wei↗
NASA NTRS1987

An inference engine for embedded diagnostic systems

The implementation of an inference engine for embedded diagnostic systems is described. The system consists of two distinct parts. The first is an off-line compiler which accepts a propositional logical statement of the relationship between facts and conclusions and produces data structures required by the on-line inference engine. The second part consists of the inference engine and interface routines which accept assertions of fact and return the conclusions which necessarily follow. Given a set of assertions, it will generate exactly the conclusions which logically follow. At the same time, it will detect any inconsistencies which may propagate from an inconsistent set of assertions or a poorly formulated set of rules. The memory requirements are fixed and the worst case execution times are bounded at compile time. The data structures and inference algorithms are very simple and well understood. The data structures and algorithms are described in detail. The system has been implemented on Lisp, Pascal, and Modula-2.

Fox, Barry R.↗
NASA NTRS1991

Computations involving differential operators and their actions on functions

The algorithms derived by Grossmann and Larson (1989) are further developed for rewriting expressions involving differential operators. The differential operators involved arise in the local analysis of nonlinear dynamical systems. These algorithms are extended in two different directions: the algorithms are generalized so that they apply to differential operators on groups and the data structures and algorithms are developed to compute symbolically the action of differential operators on functions. Both of these generalizations are needed for applications.

Crouch, Peter E.↗
DOE OSTI2018

Cabana

Physics simulations that use particles in their algorithms are ubiquitous on modern high performance computers. Cabana is a C++ library for developing particle-based simulations on heterogeneous high performance computing platforms. Cabana provides general data structures and algorithms for common particle operations in a way that is both performant and portable on HPC systems. This includes particle data structure allocatable and configurable on GPU and CPU architectures, and threaded and distributed algorithms for sorting particles, halo exchanges, neighbor list generation, and other basic particle operations.

Slattery, StuartR↗
NASA NTRS1986

Implementation of the Lanczos method for structural vibration analysis on a parallel computer

The use of the Lanczos method in a parallel environment is investigated by implementing the algorithm for structural vibration problems on a parallel computer. It is shown that introducing shifts, assigning each processor a different region in the eigenvalue spectrum, and implementing the Lanczos method in parallel is an effective strategy for speeding up calculations. Test problem results include examples of the 'Lanczos phenomenon' where roundoff error in the vector orthogonalization can result in spurious eigenvalues which must be identified and discarded. The calculation strategy described here permits straightforward determination of these spurious eigenvalues. It is demonstrated that significant speedups in calculation time can be realized over traditional sequential methods.

Bostic, S. W.↗
NASA NTRS1990

Solution algorithms for the two-dimensional Euler equations on unstructured meshes

The objective of the study was to analyze implicit techniques employed in structured grid algorithms for solving two-dimensional Euler equations and extend them to unstructured solvers in order to accelerate convergence rates. A comparison is made between nine different algorithms for both first-order and second-order accurate solutions. Higher-order accuracy is achieved by using multidimensional monotone linear reconstruction procedures. The discussion is illustrated by results for flow over a transonic circular arc.

Whitaker, D. L.↗
DOE OSTI2020

Grain boundary structure search by using an evolutionary algorithm with effective mutation methods

Grain boundaries (GBs) accommodate the misorientation between adjacent grains in a polycrystalline material. GBs are geometrically described by the macroscopic and microscopic degrees of freedom. Besides, at the atomistic level, GBs exhibit complicated behaviors under varying thermodynamic conditions. The complexity of atomistic GB structures demands stochastic searching for possible states. The effectiveness of stochastic search methods relies on techniques to recreate and select atomistic structures. In this work, we developed a new mutation operator that can induce direct and collective atomistic structure changes to boost the search efficiency of exploring GB structures with evolutionary algorithms (EA). We implemented the mutation methods along with innovative selection, crossover, boundary condition preprocessing methods to form an EA-based package to explore GB structures in grand canonical ensembles with atomistic simulations. We used this package to study the [001] symmetric tilt grain boundaries (STGBs) in FCC copper (Cu), the [110] STGBs in BCC tungsten (W), and the $[1\bar{2}10]$ STGBs in HCP magnesium (Mg). The results show that our design and implementation based on new mutation procedures, selection, and boundary conditions provide a high-quality search of atomistic GB structures in the grand canonical ensemble for different crystal lattices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Metals and Quantum Materials with Spin-orbit Interactions by Quantum Monte Carlo methods

The key goals of this project were as follows: 1) Analysis and benchmarks of electron correlation effects recovered in the fixed-node approximation that is inherent to quantum Monte Carlo (QMC) method as applied to metallic states; 2) development of new algorithms for electron spin-degrees of freedom to be treated as explicit quantum variables; 3) designing electronic structure QMC algorithm for efficient evaluation of spin-orbit effects in systems with heavy atoms; 4) adapting the algorithm to complex wave functions and developing corresponding fixed-phase approximation; 5) design and testing of algorithm for valence-only non-local spin-orbit operators; 6) analysis of fixed-node vs fixed-phase errors and their comparisons. The key accomplishments: i) We carried out a systematic study of Li systems by the fixed-node diffusion Monte Carlo method. This involved Li atom, molecule, cluster and solid calculated by the full range of QMC methods including fixed-node QMC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution

Ensemble-average sampling of structures from ab initio molecular dynamics (AIMD) simulations can be used to predict theoretical extended X-ray absorption fine structure (EXAFS) signals that closely match experimental spectra. However, AIMD simulations are time-consuming and resource-intensive, particularly for solvated lanthanide ions, which often form multiple nonrigid geometries with high coordination numbers. Here, to accelerate the characterization of lanthanide structures in solution, we employed the Northwest Potential Energy Surface Search Engine (NWPEsSe), an adaptive-learning global optimization algorithm, to efficiently screen first-shell structures. As case studies, we examine two systems: Eu(NO 3 ) 3 dissolved in acetonitrile with a terpyridine ligand (terpyNO 2 ), and Nd(NO 3 ) 3 dissolved in acetonitrile. The theoretical spectra for structures identified by NWPEsSe were compared to both experimental and AIMD-derived EXAFS spectra. The NWPEsSe algorithm successfully identified the proper solvation structure for both Eu(NO 3 ) 3 (terpyNO 2 ) and Nd(NO 3 )(acetonitrile) 3 , with the calculated EXAFS signals closely matching the experimental spectra for the Eu-ligand complex and showing good similarity for the Nd salt; the better agreement with the ligand-containing structure is attributed to a less dynamic coordination environment due to the rigid ligand. The key advantage of the global optimization algorithm lies in its ability to sample the coordination environment across the potential energy surface and reduce the time required to identify structures from generally a month to within a week. Additionally, this approach is versatile and can be adapted to characterize main-group metal complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗