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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 811 records · Page 45

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NASA NTRS1981

Quantitative simulation of a magnetospheric substorm. I - Model logic and overview

Results of a comprehensive computer simulation of the behavior of the earth's inner magnetosphere during a substorm-type event are reported. It is pointed out that the computer model self-consistently computes electric fields, currents, and plasma distributions and velocities in the inner-magnetosphere/ionosphere system; parallel electric fields and ionospheric neutral winds, however, are not included. The basic equations of the model are derived, and the inputs are described. An overview of the results is also given. The first appendix contains derivations of general, useful laws of bounce-averaged gradient, curvature, and E x B drifts in a plasma with isotropic pitch angle distribution. The second appendix gives a description of the numerical method used in the simulation.

Harel, M.↗

NASA NTRS2006

Bragg Curve, Biological Bragg Curve and Biological Issues in Space Radiation Protection with Shielding

The space environment consists of a varying field of radiation particles including high-energy ions, with spacecraft shielding material providing the major protection to astronauts from harmful exposure. Unlike low-LET gamma or X-rays, the presence of shielding does not always reduce the radiation risks for energetic charged particle exposure. Since the dose delivered by the charged particle increases sharply as the particle approaches the end of its range, a position known as the Bragg peak, the Bragg curve does not necessarily represent the biological damage along the particle traversal since biological effects are influenced by the track structure of both primary and secondary particles. Therefore, the biological Bragg curve is dependent on the energy and the type of the primary particle, and may vary for different biological endpoints. To achieve a Bragg curve distribution, we exposed cells to energetic heavy ions with the beam geometry parallel to a monolayer of fibroblasts. Qualitative analyses of gamma-H2AX fluorescence, a known marker of DSBs, indicated increased clustering of DNA damage before the Bragg peak, enhanced homogenous distribution at the peak, and provided visual evidence of high linear energy transfer (LET) particle traversal of cells beyond the Bragg peak. A quantitative biological response curve generated for micronuclei (MN) induction across the Bragg curve did not reveal an increased yield of MN at the location of the Bragg peak. However, the ratio of mono-to bi-nucleated cells, which indicates inhibition in cell progression, increased at the Bragg peak location. These results, along with other biological concerns, show that space radiation protection with shielding can be a complicated issue.

Honglu, Wu↗

NASA NTRS2004

Vapor Deposition and Solar Wind Implantation on Lunar Soil-Grain Surfaces as Comparable Processes

Vapor deposited patinas (VDP) on lunar soil grains consist of a thin (less than 1 micron) layer of amorphous silicate (glass) embedded with nanoscale Fe(sup 0) globules as seen in many TEM images. VDPs are also present on larger space-weathered lunar rocks; these larger samples will not be discussed here although the process of vapor deposition is common to exposed grains of all sizes. Whether or not the majority of the Fe(sup 0) globules present in lunar soils reside in vapor deposited patina is a matter of some concern. Some Fe(sup 0) globules are clearly seen to reside within the glass of agglutinates and might represent remobilized Fe(sup 0) in agglutinitic melts. remobilized Fe(sup 0) in agglutinitic melts. We argue that because VDP coatings are present only on the surfaces of lunar soil grains, their distribution as a surface correlated component (SCC) of lunar soils should parallel those of Solar Wind Elements (SWE) implanted in the outermost rinds of lunar soil grains. SWE residing in the interior of soils grains make up the volume correlated component (VCC). Relative to Fe(sup 0) in VDP, the distribution of various SWE have been studied well. The reason is understandable because instrumentation for nanoscale imaging is not ubiquitous. In this study we use the distribution of SWE in lunar soils as a guide to understanding the fate of Fe(sup 0) in VDP.

Basu, A.↗

NASA NTRS1991

Enhancement of wave growth for warm plasmas with a high-energy tail distribution

The classical linear theory of electromagnetic wave growth in a warm plasma is considered for waves propagating parallel to a uniform ambient magnetic field. Wave-growth rates are calculated for ion-driven right-hand mode waves for Kappa and Maxwellian particle distribution functions and for various values of the spectral index, the temperature anisotropy, and the ratio of plasma pressure to magnetic pressure appropriate to the solar wind. When the anisotropy is low the wave growth is limited to frequencies below the proton gyrofrequency and the growth rate increases dramatically as the spectral index is reduced. The growth rate for any Kappa distribution greatly exceeds that for a Maxwellian with the same bulk properties. For large thermal anisotropy the growth rate from either distribution is greatly enhanced. The growth rates from a Kappa distribution are generally larger than for a Maxwellian distribution, and significant wave growth occurs over a broader range of frequencies.

Thorne, Richard M.↗

NASA NTRS1990

Production of electron conics by stochastic acceleration parallel to the magnetic field

Electron conics are enhancements in the electron flux at the edges of the electron loss cone. Such enhancements are a common feature in the electron distribution in the auroral zone. In analogy with ion conics, it has been suggested that electron conics are produced by waves which accelerate electrons perpendicular to the magnetic field. However, using a test particle simulation of the electron distribution it is shown that electron conics can be produced purely by stochastic acceleration of the electrons parallel to a dipole magnetic field. A possible wave mode that can produce parallel acceleration is the Alfven-ion cyclotron mode that has recently been shown to modulate the high energy part of the inverted-V electron distribution.

Temerin, Michael A.↗

NASA NTRS1994

Performance Evaluation of Three Distributed Computing Environments for Scientific Applications

We present performance results for three distributed computing environments using the three simulated CFD applications in the NAS Parallel Benchmark suite. These environments are the DCF cluster, the LACE cluster, and an Intel iPSC/860 machine. The DCF is a prototypic cluster of loosely coupled SGI R3000 machines connected by Ethernet. The LACE cluster is a tightly coupled cluster of 32 IBM RS6000/560 machines connected by Ethernet as well as by either FDDI or an IBM Allnode switch. Results of several parallel algorithms for the three simulated applications are presented and analyzed based on the interplay between the communication requirements of an algorithm and the characteristics of the communication network of a distributed system.

Fatoohi, Rod↗

NASA NTRS1986

Algorithms and programming tools for image processing on the MPP, part 2

A number of algorithms were developed for image warping and pyramid image filtering. Techniques were investigated for the parallel processing of a large number of independent irregular shaped regions on the MPP. In addition some utilities for dealing with very long vectors and for sorting were developed. Documentation pages for the algorithms which are available for distribution are given. The performance of the MPP for a number of basic data manipulations was determined. From these results it is possible to predict the efficiency of the MPP for a number of algorithms and applications. The Parallel Pascal development system, which is a portable programming environment for the MPP, was improved and better documentation including a tutorial was written. This environment allows programs for the MPP to be developed on any conventional computer system; it consists of a set of system programs and a library of general purpose Parallel Pascal functions. The algorithms were tested on the MPP and a presentation on the development system was made to the MPP users group. The UNIX version of the Parallel Pascal System was distributed to a number of new sites.

Reeves, Anthony P.↗

NASA NTRS1976

Determination of statistics for any rotation of axes of a bivariate normal elliptical distribution

Transformation of statistics from a dimensional set to another dimensional set involves linear functions of the original set of statistics. Similarly, linear functions will transform statistics within a dimensional set such that the new statistics are relevant to a new set of coordinate axes. A restricted case of the latter is the rotation of axes in a coordinate system involving any two correlated random variables. A special case is the transformation for horizontal wind distributions. Wind statistics are usually provided in terms of wind speed and direction (measured clockwise from north) or in east-west and north-south components. A direct application of this technique allows the determination of appropriate wind statistics parallel and normal to any preselected flight path of a space vehicle. Among the constraints for launching space vehicles are critical values selected from the distribution of the expected winds parallel to and normal to the flight path. These procedures are applied to space vehicle launches at Cape Kennedy, Florida.

Falls, L. W.↗

NASA NTRS2003

Ion Velocity Distributions Within LLBL and Their Possible Implication to Multiple Reconnections

We analyze two LLBL crossings made by Interball Tail satellite under southward or variable magnetosheath magnetic field: one crossing on the flank of the magnetosphere, and another one closer to the subsolar point. Three different types of ion velocity distributions within LLBL are observed: (a) D-shaped distributions, (b) ion velocity distributions consisting of two counter-streaming components of magnetosheath-ty and (c) distributions with three components one of which has nearly zero parallel velocity and two counter-streaming components. Only the (a) type fits to the single magnetic flux tube formed by reconnection between magnetospheric and magnetosheath magnetic fields. We argue that two counter-streaming magnetosheath-like ion components observed by Interball within LLBL cannot be explained by the reflection of the ions from the magnetic mirror deeper within magnetosphere. Types (b) and (c) ion velocity distributions would form within spiral magnetic flux tube consisting of a mixture of alternating segments originating from the magnetosheath and from magnetospheric plasma. The shapes of ion velocity distributions and their evolution with decreasing number density in LLBL indicate that a significant part of LLBL is located on magnetic field lines of long spiral flux tube islands at the magnetopause, as has been proposed and found to occur in magnetopause simulations. We consider these observations as evidence for multiple reconnection X-ray lines between magnetosheath and magnetospheric flux tubes.

Vaisberg, O. L.↗

DOE OSTI2024

Massively scalable workflows for quantum chemistry: BigChem and ChemCloud

Electronic structure theory, i.e., quantum chemistry, is the fundamental building block for many problems in computational chemistry. Here we present a new distributed computing framework (BigChem), which allows for an efficient solution of many quantum chemistry problems in parallel. BigChem is designed to be easily composable and leverages industry-standard middleware (e.g., Celery, RabbitMQ, and Redis) for distributed approaches to large scale problems. BigChem can harness any collection of worker nodes, including ones on cloud providers (such as AWS or Azure), local clusters, or supercomputer centers (and any mixture of these). BigChem builds upon MolSSI packages, such as QCEngine to standardize the operation of numerous computational chemistry programs, demonstrated here with Psi4, xtb, geomeTRIC, and TeraChem. BigChem delivers full utilization of compute resources at scale, offers a programable canvas for designing sophisticated quantum chemistry workflows, and is fault tolerant to node failures and network disruptions. We demonstrate linear scalability of BigChem running computational chemistry workloads on up to 125 GPUs. Finally, we present ChemCloud, a web API to BigChem and successor to TeraChem Cloud. ChemCloud delivers scalable and secure access to BigChem over the Internet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2018

A Conservative, Scalable, Space-Time Blade Element Rotor Model for Multi-Rotor Vehicles

The development of a parallel blade-element rotor model and its implementation into an adaptive Cartesian method is described. The unsteady version of the rotor model applies a body force to all cells contained in the swept space-time volume at each timestep and special care is taken to maintain axisymmetry on the Cartesian grid. Mesh convergence of rotor thrust and torque is obtained with around 10000 cells in the disk for the steady model. Parallelization is accomplished using OpenMP and the rotor force computation is distributed across all available nodes. Simulations of an isolated XV-15 rotor in hover show good correlation with experimental data and predictions of multi-rotor thrust variation closely match previous high fidelity simulations. The final paper will also include results from the unsteady rotor model and parallel scaling tests.

Conservative↗

DOE OSTI2020

Mitigating Cascading Outages in Severe Weather Using Simulation-Based Optimization

Severe weather events can trigger cascading power outages and lead to significant losses. In this work, we investigate cascading outage mitigation under severe weather conditions. Given day-ahead weather forecasts and component failure models, we aim to identify a set of power lines that can be hardened to minimize the expected impact of potential cascading outages. Since the expected load shedding cannot be expressed as an explicit function of line hardening decisions and system states, we developed a cascading outage simulator to estimate the expected value of load shedding under various initial weather-related disruption scenarios generated using a weather forecast. To avoid massive enumeration of all possible combinations of line hardening decisions and reduce the simulation efforts, we employed an efficient simulation-based optimization approach that quickly identifies the (near) optimal line hardening decisions in the presence of both large simulation noises due to the highly variable initial disturbances and system states, and significant randomness in the subsequent cascades. Furthermore, the algorithm is also able to utilize parallel computing to dramatically reduce computation time to support decision making in preparation for severe weather conditions. We performed a case study on the Northeast Power Coordinating Council (NPCC) 140-bus system model to demonstrate that our approach can significantly improve power grid resilience to adverse weather events.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1992

Parallel computing strategies for block multigrid implicit solution of the Euler equations

A multigrid diagonal implicit algorithm has been developed to solve the three-dimensional Euler equations of inviscid compressible flow on block-structured grids. An improved method of advancing the multigrid cycle has been examined with respect to convergence rates, accuracy, and efficiency. In this method, the multigrid cycle is advanced independently in each of the blocks, and the information exchange between the blocks is done using buffer arrays, allowing for the asynchronous updating of interface boundary conditions. This updating scheme is used to eliminate the convergence problems found in a previous implementation of the algorithm while retaining its potential for efficient parallel execution. Results are computed for transonic flows past wings and include pressure distributions to verify the accuracy of the scheme and convergence histories to demonstrate the efficiency of the method. Efficiencies that were obtained using a modest number of processors in parallel are also presented and discussed.

Yadlin, Yoram↗

NASA NTRS1995

Modeling of DC spacecraft power systems

Future spacecraft power systems must be capable of supplying power to various loads. This delivery of power may necessitate the use of high-voltage, high-power dc distribution systems to transmit power from the source to the loads. Using state-of-the-art power conditioning electronics such as dc-dc converters, complex series and parallel configurations may be required at the interface between the source and the distribution system and between the loads and the distribution system. This research will use state-variables to model and simulate a dc spacecraft power system. Each component of the dc power system will be treated as a multiport network, and a state model will be written with the port voltages as the inputs. The state model of a component will be solved independently from the other components using its state transition matrix. A state-space averaging method is developed first in general for any dc-dc switching converter, and then demonstrated in detail for the particular case of the boost power stage. General equations for both steady-state (dc) and dynamic effects (ac) are obtained, from which important transfer functions are derived and applied to a special case of the boost power stage.

Berry, F. C.↗

DOE OSTI2025

In situ multi-tier auto-ignition detection applied to dual-fuel combustion simulations

Here we use an anomaly detection methodology that is centered on analyzing fourth-order joint moments (co-kurtosis), particularly focusing on its application in auto-ignition of combustion problems with large numbers of species. Unsupervised anomaly detection is challenging to generalize across problem types and domains. A recent technique, centered on analyzing information in the fourth-order joint moment co-kurtosis, has shown promise, especially for high-dimensional scientific data. In this work we present developments to the co-kurtosis based anomaly detection method needed to make it effective and scalable for large-scale distributed scientific data, such as those generated by massively parallel simulations. An in situ co-kurtosis algorithm is employed as the anomaly detection method for identifying ignition kernels in simulations of turbulent combustion. Here, we extend an existing methodology which identifies regions of the domain where anomalies are present, and add another tier of anomaly detection where the individual samples contributing to the anomaly are identified. We apply this algorithm on-the-fly to a variety of turbulent reacting flow problems and compare it to the widely used (but significantly more expensive) chemical explosive mode analysis (CEMA). We demonstrate the ability of the method to detect and identify the onset of low and high temperature ignition which can be used for computational steering, as chemical and combustion anomalies occur intermittently at spatio-temporal locations unknown a priori. Finally, we apply our lightweight in situ algorithm to an exascale high-fidelity simulation with a total of 2.4 Trillion degrees of freedom, performed using an adaptive mesh refinement solver. Furthermore, through a scalability analysis, we show that the relative computational cost of this in-situ anomaly detection algorithm compared to an iteration of the reacting flow solver is negligible.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Self-sustaining sound in collisionless, high- β plasma

Using analytical theory and hybrid-kinetic numerical simulations, we demonstrate that, in a collisionless plasma, long-wavelength ion-acoustic waves (IAWs) with amplitudes $δn/n_0≳2/β$ (where $β\gg1$ is the ratio of thermal to magnetic pressure) generate sufficient pressure anisotropy to destabilize the plasma to firehose and mirror instabilities. These kinetic instabilities grow rapidly to reduce the pressure anisotropy by pitch-angle scattering and trapping particles, respectively, thereby impeding the maintenance of Landau resonances that enable such waves’ otherwise potent collisionless damping. The result is wave dynamics that evince a weakly collisional plasma: the ion distribution function is near-Maxwellian, the field-parallel flow of heat resembles its Braginskii form (except in regions where large-amplitude magnetic mirrors strongly suppress particle transport), and the relations between various thermodynamic quantities are more ‘fluid-like’ than kinetic. A nonlinear fluctuation–dissipation relation for self-sustaining IAWs is obtained by solving a plasma-kinetic Langevin problem, which demonstrates suppressed damping, enhanced fluctuation levels and weakly collisional thermodynamics when IAWs with $δn/n_0≳2/β$ are stochastically driven. We investigate how our results depend upon the scale separation between the wavelength of the IAW and the Larmor radius of the ions, and discuss briefly their implications for our understanding of turbulence and transport in the solar wind and the intracluster medium of galaxy clusters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Designing workflows for materials characterization

Experimental science is enabled by the combination of synthesis, imaging, and functional characterization organized into evolving discovery loop. Synthesis of new material is typically followed by a set of characterization steps aiming to provide feedback for optimization or discover fundamental mechanisms. However, the sequence of synthesis and characterization methods and their interpretation, or research workflow, has traditionally been driven by human intuition and is highly domain specific. Here, we explore concepts of scientific workflows that emerge at the interface between theory, characterization, and imaging. In this study, we discuss the criteria by which these workflows can be constructed for special cases of multiresolution structural imaging and functional characterization, as a part of more general material synthesis workflows. Some considerations for theory–experiment workflows are provided. We further pose that the emergence of user facilities and cloud labs disrupts the classical progression from ideation, orchestration, and execution stages of workflow development. To accelerate this transition, we propose the framework for workflow design, including universal hyperlanguages describing laboratory operation, ontological domain matching, reward functions and their integration between domains, and policy development for workflow optimization. These tools will enable knowledge-based workflow optimization; enable lateral instrumental networks, sequential and parallel orchestration of characterization between dissimilar facilities; and empower distributed research.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Structural Simluation Toolkit (SST) v.11.0

The SST provides a parallel framework to perform system simulation of computer architectures to determine their performance and power consumption. Additionally, the SST contains basic models of a computer processor, and interconnect and can connect to an external memory simulator (DRAMSim II). The SST framework provides a simple interface by which other computer simulation models can be combined under a common parallel discrete event-based simulation environment. This allows design exploration of future architectures, analysis of how current computer programs will function on future architectures. The SST provides a parallel discrete event simulation framework, including partitioning and object distribution over MPI. It also provides a mechanism by which components can report their power consumption for analysis.

Rodrigues, ArunF.↗