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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Runtime support for data parallel tasks

We have recently introduced a set of Fortran language extensions that allow for integrated support of task and data parallelism, and provide for shared data abstractions (SDA's) as a method for communications and synchronization among these tasks. In this paper we discuss the design and implementation issues of the runtime system necessary to support these extensions, and discuss the underlying requirements for such a system. To test the feasibility of this approach, we implement a prototype of the runtime system and use this to support an abstract multidisciplinary optimization (MDO) problem for aircraft design. We give initial results and discuss future plans.

Haines, Matthew↗
NASA NTRS1994

Scheduling with genetic algorithms

In many domains, scheduling a sequence of jobs is an important function contributing to the overall efficiency of the operation. At Boeing, we develop schedules for many different domains, including assembly of military and commercial aircraft, weapons systems, and space vehicles. Boeing is under contract to develop scheduling systems for the Space Station Payload Planning System (PPS) and Payload Operations and Integration Center (POIC). These applications require that we respect certain sequencing restrictions among the jobs to be scheduled while at the same time assigning resources to the jobs. We call this general problem scheduling and resource allocation. Genetic algorithms (GA's) offer a search method that uses a population of solutions and benefits from intrinsic parallelism to search the problem space rapidly, producing near-optimal solutions. Good intermediate solutions are probabalistically recombined to produce better offspring (based upon some application specific measure of solution fitness, e.g., minimum flowtime, or schedule completeness). Also, at any point in the search, any intermediate solution can be accepted as a final solution; allowing the search to proceed longer usually produces a better solution while terminating the search at virtually any time may yield an acceptable solution. Many processes are constrained by restrictions of sequence among the individual jobs. For a specific job, other jobs must be completed beforehand. While there are obviously many other constraints on processes, it is these on which we focussed for this research: how to allocate crews to jobs while satisfying job precedence requirements and personnel, and tooling and fixture (or, more generally, resource) requirements.

Fennel, Theron R.↗
NASA NTRS1996

Particle/Continuum Hybrid Simulation in a Parallel Computing Environment

The objective of this study was to modify an existing parallel particle code based on the direct simulation Monte Carlo (DSMC) method to include a Navier-Stokes (NS) calculation so that a hybrid solution could be developed. In carrying out this work, it was determined that the following five issues had to be addressed before extensive program development of a three dimensional capability was pursued: (1) find a set of one-sided kinetic fluxes that are fully compatible with the DSMC method, (2) develop a finite volume scheme to make use of these one-sided kinetic fluxes, (3) make use of the one-sided kinetic fluxes together with DSMC type boundary conditions at a material surface so that velocity slip and temperature slip arise naturally for near-continuum conditions, (4) find a suitable sampling scheme so that the values of the one-sided fluxes predicted by the NS solution at an interface between the two domains can be converted into the correct distribution of particles to be introduced into the DSMC domain, (5) carry out a suitable number of tests to confirm that the developed concepts are valid, individually and in concert for a hybrid scheme.

Baganoff, Donald↗
NASA NTRS2010

Multiple Exhaust Nozzle Effects on J-2X Gas Generator Outlet Impedance

The current test setup of the J-2X gas generator system uses a multiple nozzle configuration to exhaust hot gases to drive the propellant supply turbines. Combustion stability assessment of this gas generator design requires knowledge of the impedance effects the multiple nozzle configuration creates on the combustion chamber acoustic modes. Parallel work between NASA and Sierra Engineering is presented, showing two methods used to calculate the effective end impedance resulting from multiple nozzle configurations. The NASA method is a simple estimate of the effective impedance using the long wavelength approximation. Sierra Engineering has developed a more robust numerical integration method implemented in ROCCID to accommodate for multiple nozzles. Analysis using both methods are compared to J-2X gas generator test data collected over the past year.

Kenny, R. Jeremy↗
DOE OSTI2015

Parallel Power Grid Simulation Toolkit

ParGrid is a 'wrapper' that integrates a coupled Power Grid Simulation toolkit consisting of a library to manage the synchronization and communication of independent simulations. The included library code in ParGid, named FSKIT, is intended to support the coupling multiple continuous and discrete even parallel simulations. The code is designed using modern object oriented C++ methods utilizing C++11 and current Boost libraries to ensure compatibility with multiple operating systems and environments.

Smith, Steve↗
DOE OSTI2016

Continuous filament composite parts and articles of manufacture thereof

An article of manufacture according to one embodiment includes a plurality of plies in a stacked configuration, where each ply includes a plurality of tape winds having edges. A distance between the edges of adjacent tape winds in the same ply is about constant along a length of the wind. Each tape wind comprises elongated fibers and a matrix, axes of the fibers being oriented about parallel to a longitudinal axis of the tape wind. Additional systems, methods and articles of manufacture are also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Reactor transient analyses with KIN3D/PARTISN

Efforts are going on at the Karlsruhe Institute of Technology (KIT) to extend the kinetics capability of the PARTISN code in order to run in parallel two- and three-dimensional transient analyses with the quasistatic method, while taking into account delayed neutrons. In the original code version, time-dependent transport problems are solved by employing a semi-implicit direct kinetics option, the delayed neutrons being not taken into account. The PARTISN 5.97 code has been extended and then coupled with KIN3D, a time-dependent model embedded in the ERANOS code system. In the coupled code, PARTISN 5.97 is used as neutron transport solver to perform transient analyses while employing direct and quasi-static kinetics options of KIN3D. The coupled code can be also applied for first-order and exact perturbation theory calculations. In the paper, the PARTISN 5.97 extensions and coupling procedure are described and the performances of the KIN3D/PARTISN coupled code are investigated by analyzing transients induced by a source-jerk in a three-dimensional ADS model driven by an external source. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Initial Investigation of Coupled Electron-Photon Transport with SCEPTRE and RAPTURE (Rev.1.1)

The SCEPTRE1 code models coupled photon and electron transport in material media using discrete ordinates methods. The code can use different solvers in 1D and 3D in parallel, promising users the ability to run problems that are significant both in physics and computational scale. One capability that is perhaps unique at this time in the NNSA complex is SCEPTRE’s coupled photon– electron transport physics in a discrete ordinates approach. For example, incident x–rays can generate a significant electron population, whose transport can be simulated within the same code. In this context, fully–coupled means that photons can produce electrons and electrons can produce photons; uncoupled or no–coupling means photons do not produce electrons. Partial–coupling, an intermediate option in which photons can produce electrons but electrons do not produce photons, is not considered in the present work. The MCNP code can treat this physics with a Monte Carlo approach. MCNP should be viewed as complementary to SCEPTRE in both computational method (Monte Carlo versus discrete ordinates) as well as data libraries. SCEPTRE and MCNP should provide important checks on each other, especially from complementary modeling frameworks of a S n (discrete ordinates) mesh based method versus Monte Carlo particle based method. In order to learn more about SCEPTRE, and how it might inform engineering work at the Laboratory, we used it to carry out a set of initial studies. This was a series of 1D simulations of photon beams hitting Aluminum slabs. Our studies mainly used SCEPTRE directly, and made little use of the closely associated RAPTURE code (more on this below). The goals of these studies were first, to familiarize ourselves with operating the code, and second, to begin to assess the importance of coupled electron–photon transport. To support these studies, we began to develop a set of scripts to initialize inputs, run tools, process outputs, and plot results. An initial version of these scripts has been committed to the Lightning workflow repository. This memo relates the results of those studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1990

Dynamic Analysis and Control of Lightweight Manipulators with Flexible Parallel Link Mechanisms

The objective is the theoretical analysis and the experimental verification of dynamics and control of a two link flexible manipulator with a flexible parallel link mechanism. Nonlinear equations of motion of the lightweight manipulator are derived by the Lagrangian method in symbolic form to better understand the structure of the dynamic model. The resulting equation of motion have a structure which is useful to reduce the number of terms calculated, to check correctness, or to extend the model to higher order. A manipulator with a flexible parallel link mechanism is a constrained dynamic system whose equations are sensitive to numerical integration error. This constrained system is solved using singular value decomposition of the constraint Jacobian matrix. Elastic motion is expressed by the assumed mode method. Mode shape functions of each link are chosen using the load interfaced component mode synthesis. The discrepancies between the analytical model and the experiment are explained using a simplified and a detailed finite element model.

Lee, Jeh Won↗
DOE OSTI2014

Broadband turbulent spectra in gamma-ray burst light curves

Broadband power density spectra offer a window to understanding turbulent behavior in the emission mechanism and, at the highest frequencies, in the putative inner engines powering long gamma-ray bursts (GRBs). We describe a chirp search method alongside Fourier analysis for signal detection in the Poisson noise-dominated, 2 kHz sampled, BeppoSAX light curves. An efficient numerical implementation is described in O(Nnlog n) operations, where N is the number of chirp templates and n is the length of the light-curve time series, suited for embarrassingly parallel processing. For the detection of individual chirps over a 1 s duration, the method is one order of magnitude more sensitive in signal-to-noise ratio than Fourier analysis. The Fourier-chirp spectra of GRB 010408 and GRB 970816 show a continuation of the spectral slope with up to 1 kHz of turbulence identified in low-frequency Fourier analysis. The same continuation is observed in an average spectrum of 42 bright, long GRBs. An outlook on a similar analysis of upcoming gravitational wave data is included.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Nonlinear Fourier analysis for discontinuous conductivities: Computational results

Two reconstruction methods of Electrical Impedance Tomography (EIT) are numerically compared for nonsmooth conductivities in the plane based on the use of complex geometrical optics (CGO) solutions to D-bar equations involving the global uniqueness proofs for Calderón problem exposed in Nachman (1996) [43] and Astala and Päivärinta (2006) [6]: the Astala–Päivärinta theory-based low-pass transport matrix method implemented in Astala et al. (2011) [3] and the shortcut method which considers ingredients of both theories. The latter method is formally similar to the Nachman theory-based regularized EIT reconstruction algorithm studied in Knudsen et al. (2009) [34] and several references from there. New numerical results are presented using parallel computation with size parameters larger than ever, leading mainly to two conclusions as follows. First, both methods can approximate piecewise constant conductivities better and better as the cutoff frequency increases, and there seems to be a Gibbs-like phenomenon producing ringing artifacts. Second, the transport matrix method loses accuracy away from a (freely chosen) pivot point located outside of the object to be studied, whereas the shortcut method produces reconstructions with more uniform quality.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2000

Parallel Processing in Combustion Analysis

The objective of this research is to demonstrate the application of the Flow-field Dependent Variation (FDV) method to a problem of current interest in supersonic chemical combustion. Due in part to the stiffness of the chemical reactions, the solution of such problems on unstructured three dimensional grids often dictates the use of parallel computers. Preliminary results for the injection of a supersonic hydrogen stream into vitiated air are presented.

Schunk, Richard Gregory↗
DOE OSTI2019

Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry

We introduce an implementation of the truncated many-body expansion, MBE(n), in which the n-body corrections are screened using the effective fragment potential force field, and only those that exceed a specified energy threshold are computed at a quantum-mechanical level of theory. This energy-screened MBE(n) approach is tested at the n = 3 level for a sequence of water clusters, (H2O) N=6–34 . A threshold of 0.25 kJ/mol eliminates more than 80% of the subsystem electronic structure calculations and is even more efficacious in that respect than is distance-based screening. Even so, the energy-screened MBE(3) method is faithful to a full-system quantum chemistry calculation to within 1–2 kJ/mol/monomer, even in good quality basis sets such as aug-cc-pVTZ. These errors can be reduced by means of a two-layer approach that involves a Hartree–Fock calculation for the entire cluster. Such a correction proves to be necessary in order to obtain accurate relative energies for conformational isomers of (H2O)20, but the cost of a full-system Hartree–Fock calculation remains smaller than the cost of three-body subsystem calculations at correlated levels of theory. At the level of second-order Møller–Plesset perturbation theory (MP2), a screened MBE(3) calculation plus a full-system Hartree–Fock calculation is less expensive than a full-system MP2 calculation starting at N = 12 water molecules. This is true even if all MBE(3) subsystem calculations are performed on a single 40-core compute node, i.e., without significant parallelization. Energy-screened MBE(n) thus provides a fragment-based method that is accurate, stable in large basis sets, and low in cost, even when the latter is measured in aggregate computer time.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

TuckerMPI: A Parallel C++/MPI Software Package for Large-scale Data Compression via the Tucker Tensor Decomposition

With this study, our goal is compression of massive-scale grid-structured data, such as the multi-terabyte output of a high-fidelity computational simulation. For such data sets, we have developed a new software package called TuckerMPI, a parallel C++/MPI software package for compressing distributed data. The approach is based on treating the data as a tensor, i.e., a multidimensional array, and computing its truncated Tucker decomposition, a higher-order analogue to the truncated singular value decomposition of a matrix. The result is a low-rank approximation of the original tensor-structured data. Compression efficiency is achieved by detecting latent global structure within the data, which we contrast to most compression methods that are focused on local structure. In this work, we describe TuckerMPI, our implementation of the truncated Tucker decomposition, including details of the data distribution and in-memory layouts, the parallel and serial implementations of the key kernels, and analysis of the storage, communication, and computational costs. We test the software on 4.5 and 6.7 terabyte data sets distributed across 100 s of nodes (1,000 s of MPI processes), achieving compression ratios between 100 and 200,000×, which equates to 99--99.999% compression (depending on the desired accuracy) in substantially less time than it would take to even read the same dataset from a parallel file system. Moreover, we show that our method also allows for reconstruction of partial or down-sampled data on a single node, without a parallel computer so long as the reconstructed portion is small enough to fit on a single machine, e.g., in the instance of reconstructing/visualizing a single down-sampled time step or computing summary statistics. The code is available at https://gitlab.com/tensors/TuckerMPI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Discontinuous Galerkin methods for plasma physics in the scrape-off layer of tokamaks

A new parallel discontinuous Galerkin solver, called ArcOn, is developed to describe the intermittent turbulent transport of filamentary blobs in the scrape-off layer (SOL) of fusion plasma. The model is comprised of an elliptic subsystem coupled to two convection-dominated reaction–diffusion–convection equations. Upwinding is used for a class of numerical fluxes developed to accommodate cross product driven convection, and the elliptic solver uses SIPG, NIPG, IIPG, Brezzi, and Bassi–Rebay fluxes to formulate the stiffness matrix. A novel entropy sensor is developed for this system, designed for a space–time varying artificial diffusion/viscosity regularization algorithm. Some numerical experiments are performed to show convergence order on manufactured solutions, regularization of blob/streamer dynamics in the SOL given unstable parameterizations, long-time stability of modon (or dipole drift vortex) solutions arising in simulations of drift-wave turbulence, and finally the formation of edge mode turbulence in the scrape-off layer under turbulent saturation conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach

The Many-Body Expansion (MBE) is a useful tool to simulate condensed phase chemical systems, often avoiding the steep computational cost of usual electronic structure methods. However, it often requires higher than 2-body terms to achieve quantitative accuracy. In this work, we propose the Polarized MBE (PolBE) method where each MBE energy contribution is treated as an embedding problem. In each energy term, a smaller fragment is embedded into a larger, polarized environment and only a small region is treated at the high-level of theory using embedded mean-field theory. The role of polarized environment was found to be crucial in providing quantitative accuracy at the 2-body level. PolBE accurately predicts noncovalent interaction energies for a number of systems, including CO 2 , water, and hydrated ion clusters, with a variety of interaction mechanisms, from weak dispersion to strong electrostatics considered in this work. We further demonstrate that the PolBE interaction energy is predominantly pairwise unlike the usual vacuum MBE that requires higher-order terms to achieve similar accuracy. We numerically show that PolBE often performs better than other widely used embedded MBE methods such as the electrostatically embedded MBE. Finally,owing to the lack of expensive diagonalization of Fock matrices and its embarrassingly parallel nature, PolBE is a promising way to access condensed phase systems with hybrid density functionals that are difficult to treat with currently available methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Model Exploration of an Information-Based Healthcare Intervention Using Parallelization and Active Learning

This paper describes the application of a large-scale active learning method to characterize the parameter space of a computational agent-based model developed to investigate the impact of CommunityRx, a clinical information-based health intervention that provides patients with personalized information about local community resources to meet basic and self-care needs. Additionally, the diffusion of information about community resources and their use is modeled via networked interactions and their subsequent effect on agents' use of community resources across an urban population. A random forest model is iteratively fitted to model evaluations to characterize the model parameter space with respect to observed empirical data. We demonstrate the feasibility of using high-performance computing and active learning model exploration techniques to characterize large parameter spaces; by partitioning the parameter space into potentially viable and non-viable regions, we rule out regions of space where simulation output is implausible to observed empirical data. We argue that such methods are necessary to enable model exploration in complex computational models that incorporate increasingly available micro-level behavior data. We provide public access to the model and high-performance computing experimentation code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

False Negative Rates of a Macrofoam-Swab Sampling Method with Low Surface Concentrations of Two Bacillus anthracis Surrogates via Real-Time PCR

Surface sampling for Bacillus anthracis spores has traditionally relied on detection via bacterial cultivation methods. Although effective, this approach does not provide the level of organism specificity that can be gained through molecular techniques. False negative rates (FNR) and limits of detection (LOD) were determined for two B. anthracis surrogates with modified rapid viability-polymerase chain reaction (mRV-PCR) following macrofoam-swab sampling. This study was conducted in parallel with a previously reported study that analyzed spores using a plate-culture method. B. anthracis Sterne (BAS) or B. atrophaeus Nakamura (BG) spores were deposited onto four surface materials (glass, stainless steel, vinyl tile, and plastic) at nine target concentrations (2 to 500 spores/coupon; 0.078 to 19.375 colony-forming units [CFU] per cm 2 ). Mean FNR values for mRV-PCR analysis ranged from 0 to 0.917 for BAS and 0 to 0.875 for BG and increased as spore concentration decreased (over the concentrations investigated) for each surface material. FNRs based on mRV-PCR data were not statistically different for BAS and BG, but were significantly lower for glass than for vinyl tile. FNRs also tended to be lower for the mRV-PCR method compared to the culture method. The mRV-PCR LOD 95 was lowest for glass (0.429 CFU/cm 2 with BAS and 0.341 CFU/cm 2 with BG) and highest for vinyl tile (0.919 CFU/cm 2 with BAS and 0.917 CFU/cm 2 with BG). These mRV-PCR LOD 95 values were lower than the culture values (BAS: 0.678 to 1.023 CFU/cm 2 and BG: 0.820 to 1.489 CFU/cm 2 ). The FNR and LOD₉₅ values reported in this work provide guidance for environmental sampling of Bacillus spores at low concentrations.

59 BASIC BIOLOGICAL SCIENCES↗