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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Dynamic and Thermal Turbulent Time Scale Modelling for Homogeneous Shear Flows

A new turbulence model, based upon dynamic and thermal turbulent time scale transport equations, is developed and applied to homogeneous shear flows with constant velocity and temperature gradients. The new model comprises transport equations for k, the turbulent kinetic energy; tau, the dynamic time scale; k(sub theta), the fluctuating temperature variance; and tau(sub theta), the thermal time scale. It offers conceptually parallel modeling of the dynamic and thermal turbulence at the two equation level, and eliminates the customary prescription of an empirical turbulent Prandtl number, Pr(sub t), thus permitting a more generalized prediction capability for turbulent heat transfer in complex flows and geometries. The new model also incorporates constitutive relations, based upon invariant theory, that allow the effects of nonequilibrium to modify the primary coefficients for the turbulent shear stress and heat flux. Predictions of the new model, along with those from two other similar models, are compared with experimental data for decaying homogeneous dynamic and thermal turbulence, homogeneous turbulence with constant temperature gradient, and homogeneous turbulence with constant temperature gradient and constant velocity gradient. The new model offers improvement in agreement with the data for most cases considered in this work, although it was no better than the other models for several cases where all the models performed poorly.

Schwab, John R.↗
NASA NTRS1992

Towards the Teraflop CFD

We are surveying current projects in the area of parallel supercomputers. The machines considered here will become commercially available in the 1990 - 1992 time frame. All are suitable for exploring the critical issues in applying parallel processors to large scale scientific computations, in particular CFD calculations. This chapter presents an overview of the surveyed machines, and a detailed analysis of the various architectural and technology approaches taken. Particular emphasis is placed on the feasibility of a Teraflops capability following the paths proposed by various developers.

Schreiber, Robert↗
NASA NTRS2017

Modeling Chemical Reactions in Classical Molecular Dynamics Simulations

An algorithm capable of incorporating multi-step reaction mechanisms into atomistic molecular dynamics (MD) simulations using traditional fixed valence force fields is proposed and implemented within the framework of LAMMPS (Large-scale Atomic Molecular Massively Parallel Simulator). This extension, referred to as fix bond/react, enables bonding topology modifications during a running MD simulation using pre- and post-reaction bonding templates to carry out a pre-specified reaction. Candidate reactants are first identified by interatomic separation, followed by the application of a generalized topology matching algorithm to confirm they match the pre-reaction template. This is followed by a topology conversion to match the post-reaction template and a dynamic relaxation to minimize high energy configurations. Two case studies, the condensation polymerization of nylon 6,6 and the formation of a highly-crosslinked epoxy, are simulated to demonstrate the robustness, stability, and speed of the algorithm. Improvements which could increase its utility are discussed.

Jacob R Gissinger↗
DOE OSTI2018

Efficient reversible uniform and non-uniform random number generation in UNU.RAN

Reversible random number generations are useful in large-scale fault-tolerant parallel computations and parallel discrete event simulations that are based on reversible computation. The Universal Non-Uniform Random Number Generator (UNU.RAN) is one of the popular random number generators used in the simulation community, but the generators are forward-only in nature. In this paper, we develop new reverse algorithm for the default uniform random number generator algorithm of UNU.RAN and also a few nonuniform random generators that use the Transform Density Reduction (TDR) method. We verify the correctness of reversals of our algorithms and also provide performance results to demonstrate reverse computing runtime adds little overheads relative to its forward counterpart.

Yoginath, Srikanth↗
DOE OSTI2024

Alfalfa Virtual Building Service: Software Engineering Best Practices Applied to Runtime Interaction with Building Energy Models

Buildings are active participants in increasingly complex energy systems. Building Energy Modeling (BEM) has a key role to play in planning and de-risking an equitable energy transition, with BEM-backed "virtual buildings" critical path for diverse applications that include workforce training tools, Hardware-in-the-Loop (HIL) experimentation to study equipment performance under a range of conditions, Control-Hardware-in-the-Loop (CHIL) experimentation to de-risk commercial control implementations at equipment through grid orchestration levels, and integration of dynamic load profiles into grid modeling tools for energy system experimentation at the urban scale. Modeling requirements vary across these applications, but many software engineering tasks do not. The Alfalfa Virtual Building Service (AVBS, see https://github.com/NREL/alfalfa/wiki) is an open-source web service that solves these common tasks robustly in one place, providing a foundational platform for power users to bootstrap their own applications. AVBS abstracts the specifics of runtime interaction with OpenStudio, Modelica, and Spawn of EnergyPlus models behind a unified REST API. Additionally, AVBS provides resources for cloud deployment and scaling to 100s of parallel simulations, a growing library of modular Operational Technology (OT) integrations for emulation of real-world interfaces, and scripts to automate the population of communities of virtual buildings from URBANopt, ResStock and ComStock.

building automation↗
NASA NTRS1982

A New View on Origin, Role and Manipulation of Large Scales in Turbulent Boundary Layers

The potential of passive 'manipulators' for altering the large scale turbulent structures in boundary layers was investigated. Utilizing smoke wire visualization and multisensor probes, the experiment verified that the outer scales could be suppressed by simple arrangements of parallel plates. As a result of suppressing the outer scales in turbulent layers, a decrease in the streamwise growth of the boundary layer thickness was achieved and was coupled with a 30 percent decrease in the local wall friction coefficient. After accounting for the drag on the manipulator plates, the net drag reduction reached a value of 20 percent within 55 boundary layer thicknesses downstream of the device. No evidence for the reoccurrence of the outer scales was present at this streamwise distance thereby suggesting that further reductions in the net drag are attainable. The frequency of occurrence of the wall events is simultaneously dependent on the two parameters, Re2 delta sub 2 and Re sub x. As a result of being able to independently control the inner and outer boundary layer characteristics with these manipulators, a different view of these layers emerged.

Corke, T. C.↗
NASA NTRS1999

Visualization Co-Processing of a CFD Simulation

OVERFLOW, a widely used CFD simulation code, is combined with a visualization system, pV3, to experiment with an environment for simulation/visualization co-processing on a SGI Origin 2000 computer(O2K) system. The shared memory version of the solver is used with the O2K 'pfa' preprocessor invoked to automatically discover parallelism in the source code. No other explicit parallelism is enabled. In order to study the scaling and performance of the visualization co-processing system, sample runs are made with different processor groups in the range of 1 to 254 processors. The data exchange between the visualization system and the simulation system is rapid enough for user interactivity when the problem size is small. This shared memory version of OVERFLOW, with minimal parallelization, does not scale well to an increasing number of available processors. The visualization task takes about 18 to 30% of the total processing time and does not appear to be a major contributor to the poor scaling. Improper load balancing and inter-processor communication overhead are contributors to this poor performance. Work is in progress which is aimed at obtaining improved parallel performance of the solver and removing the limitations of serial data transfer to pV3 by examining various parallelization/communication strategies, including the use of the explicit message passing.

Vaziri, Arsi↗
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↗
DOE OSTI2019

On the memory attribution problem: A solution and case study using MPI

As parallel applications running on large–scale computing systems become increasingly memory constrained, the ability to attribute memory usage to the various components of the application is becoming increasingly important. We present the design and implementation of memnesia, a novel memory usage profiler for parallel and distributed message–passing applications. Our approach captures both application– and message–passing library–specific memory usage statistics from unmodified binaries dynamically linked to a message–passing communication library. Using microbenchmarks and proxy applications, we evaluated our profiler across three Message Passing Interface (MPI) implementations and two hardware platforms. Furthermore, the results show that our approach and the corresponding implementation can accurately quantify memory resource usage as a function of time, scale, communication workload, and software or hardware system architecture, clearly distinguishing between application and MPI library memory usage at a per–process level. With this new capability, we show that job size, communication workload, and hardware/software architecture influence peak runtime memory usage. In practice, this tool provides a potentially valuable source of information for application developers seeking to measure and optimize memory usage.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Parallel Hybrid Metaheuristics with Distributed Intensification and Diversification for Large-scale Optimization in Big Data Statistical Analysis

Important insights into many problems that are traditionally analyzed via statistical models can be obtained by re-formulating and evaluating within a large-scale optimization framework. The theoretical underpinnings of the statistical model often shift the goal of the solution space traversal from a traditional search for a single optimal solution to a traversal with the purpose of yielding a set of high quality, independent solutions. We examine statistical frameworks with astronomical solution spaces where the independence requirement constitutes a significant additional challenge for standard optimization methodologies. We design a hybrid metaheuristic with specialized intensification and diversification protocols in the base search algorithm. We extend our algorithm to the high-performance-computing realm using the Stampede2 supercomputer. We experimentally demonstrate the effectiveness of our algorithm to utilize multiple processors to collaboratively hill climb, broadcast messages to one another regarding landscape characteristics, diversify across the solution landscape, and request aid in climbing particularly difficult peaks.

Cho, Wendy K. Tam↗
NASA NTRS1995

Runtime volume visualization for parallel CFD

This paper discusses some aspects of design of a data distributed, massively parallel volume rendering library for runtime visualization of parallel computational fluid dynamics simulations in a message-passing environment. Unlike the traditional scheme in which visualization is a postprocessing step, the rendering is done in place on each node processor. Computational scientists who run large-scale simulations on a massively parallel computer can thus perform interactive monitoring of their simulations. The current library provides an interface to handle volume data on rectilinear grids. The same design principles can be generalized to handle other types of grids. For demonstration, we run a parallel Navier-Stokes solver making use of this rendering library on the Intel Paragon XP/S. The interactive visual response achieved is found to be very useful. Performance studies show that the parallel rendering process is scalable with the size of the simulation as well as with the parallel computer.

Ma, Kwan-Liu↗
DOE OSTI2017

Multiple-Scale Physics During Magnetic Reconnection

Magnetic reconnection is a key fundamental process in magnetized plasmas wherein the global magnetic topology is modified and stored energy is transferred from fields to particles. Reconnection is an inherently local process, and mechanisms to couple global-scale dynamics are not well understood. This dissertation explores two different mechanisms for cross-scale coupling during magnetic reconnection. As one example, we theoretically examine reconnection in a collisionless plasma using particle-in-cell simulations and demonstrate that large scale reconnection physics can couple to and drive microscopic instabilities, even in two-dimensional systems if significant scale separation exists between the Debye length and the electron skin depth. The physics underlying these instabilities is explained using simple theoretical models, and their potential connection to existing discrepancies between laboratory experiments and numerical simulations is explored. In three-dimensional systems, these instabilities are shown to generate anomalous resistivity that balances a substantial fraction of the electric field. In contrast, we also use experiments to investigate cross-scale couplings during reconnection in a collisional plasma. A leading candidate for coupling global and local scales is the hierarchical breakdown of elongated, reconnecting current sheets into numerous smaller current sheets -– the plasmoid instability. In the Magnetic Reconnection Experiment (MRX), recent hardware improvements have extended the accessible parameter space allowing for the study of long-lived, elongated current sheets. Moreover, by using Argon, reproducible and collisional plasmas are produced, which allow for a detailed statistical study of collisional reconnection. As a result, we have conclusively measured the onset of sub-ion-scale plasmoids during resistive, anti-parallel reconnection for the first time. The current sheet thickness is intermediate between ion and electron kinetic scales such that the plasma is in the Hall-MHD regime. Surprisingly, plasmoids are observed at Lundquist numbers < 100 well below theoretical predictions (> 10,000). The number of plasmoids scales with both Lundquist number and current sheet aspect ratio. The Hall quadrupolar fields are shown to suppress plasmoids. Finally, plasmoids are shown to couple local and global physics by enhancing the reconnection rate. These results are compared with prior studies of tearing and plasmoid instability, and implications for astrophysical plasmas, laboratory experiments, and theoretical studies of reconnection are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A meshless stochastic method for Poisson–Nernst–Planck equations

A plethora of biological, physical, and chemical phenomena involve transport of charged particles (ions). Its continuum-scale description relies on the Poisson–Nernst–Planck (PNP) system, which encapsulates the conservation of mass and charge. The numerical solution of these coupled partial differential equations is challenging and suffers from both the curse of dimensionality and difficulty in efficiently parallelizing. We present a novel particle-based framework to solve the full PNP system by simulating a drift–diffusion process with time- and space-varying drift. We leverage Green’s functions, kernel-independent fast multipole methods, and kernel density estimation to solve the PNP system in a meshless manner, capable of handling discontinuous initial states. The method is embarrassingly parallel, and the computational cost scales linearly with the number of particles and dimension. We use a series of numerical experiments to demonstrate both the method’s convergence with respect to the number of particles and computational cost vis-à-vis a traditional partial differential equation solver.

Chemistry↗
DOE OSTI2018

Particle-in-cell studies of fast-ion slowing-down rates in cool tenuous magnetized plasma

We report on 3D-3V particle-in-cell simulations of fast-ion energy-loss rates in a cold, weakly-magnetized, weakly-coupled plasma where the electron gyroradius, ρe, is comparable to or less than the Debye length, λ De , and the fast-ion velocity exceeds the electron thermal velocity, a regime in which the electron response may be impeded. These simulations use explicit algorithms, spatially resolve ρ e and λ De , and temporally resolve the electron cyclotron and plasma frequencies. For mono-energetic dilute fast ions with isotropic velocity distributions, these scaling studies of the slowing-down time, τ s , versus fast-ion charge are in agreement with unmagnetized slowing-down theory; with an applied magnetic field, no consistent anisotropy between τs in the cross-field and field-parallel directions could be resolved. Scaling the fast-ion charge is confirmed as a viable way to reduce the required computational time for each simulation. In conclusion, the implications of these slowing down processes are described for one magnetic-confinement fusion concept, the small, advanced-fuel, field-reversed configuration device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗