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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Regional-scale fault-to-structure earthquake simulations with the EQSIM framework: Workflow maturation and computational performance on GPU-accelerated exascale platforms

Continuous advancements in scientific and engineering understanding of earthquake phenomena, combined with the associated development of representative physics-based models, is providing a foundation for high-performance, fault-to-structure earthquake simulations. However, regional-scale applications of high-performance models have been challenged by the computational requirements at the resolutions required for engineering risk assessments. The EarthQuake SIMulation (EQSIM) framework, a software application development under the US Department of Energy (DOE) Exascale Computing Project, is focused on overcoming the existing computational barriers and enabling routine regional-scale simulations at resolutions relevant to a breadth of engineered systems. This multidisciplinary software development—drawing upon expertise in geophysics, engineering, applied math and computer science—is preparing the advanced computational workflow necessary to fully exploit the DOE’s exaflop computer platforms coming online in the 2023 to 2024 timeframe. Achievement of the computational performance required for high-resolution regional models containing upward of hundreds of billions to trillions of model grid points requires numerical efficiency in every phase of a regional simulation. This includes run time start-up and regional model generation, effective distribution of the computational workload across thousands of computer nodes, efficient coupling of regional geophysics and local engineering models, and application-tailored highly efficient transfer, storage, and interrogation of very large volumes of simulation data. This article summarizes the most recent advancements and refinements incorporated in the workflow design for the EQSIM integrated fault-to-structure framework, which are based on extensive numerical testing across multiple graphics processing unit (GPU)-accelerated platforms, and demonstrates the computational performance achieved on the world’s first exaflop computer platform through representative regional-scale earthquake simulations for the San Francisco Bay Area in California, USA.

58 GEOSCIENCES↗
NASA NTRS1986

Upwind Navier-Stokes solutions for separated periodic flows

The application of an upwind implicit approximate factorization Navier-Stokes algorithm to highly separated flow is described. Using both the thin-layer and complete forms of the Navier-Stokes equations, the low Reynolds number laminar flow around a circular cylinder with periodic shedding is solved. The effect of grid density, grid extent, and time step on the Strouhal number is shown. Results from both sets of equations agree within the experimental data band. Unsteady, laminar flow computations around inclined plates and separated airfoils are also described. Strouhal numbers agree to within 5 percent of experiments for inclined plates. Differences between the complete equations and the thin-layer approximation for separated periodic flows are discussed. Computations of an impulsively started circular cylinder and airfoil yield time-accurate flowfield shapes in good agreement with experimental flow visualizations. The turbulent computation of an airfoil at a high angle-of-attack is massively separated, but shows no evidence of periodicity.

Rumsey, C. L.↗
NASA NTRS2000

Applications of Parallel Process HiMAP for Large Scale Multidisciplinary Problems

HiMAP is a three level parallel middleware that can be interfaced to a large scale global design environment for code independent, multidisciplinary analysis using high fidelity equations. Aerospace technology needs are rapidly changing. Computational tools compatible with the requirements of national programs such as space transportation are needed. Conventional computation tools are inadequate for modern aerospace design needs. Advanced, modular computational tools are needed, such as those that incorporate the technology of massively parallel processors (MPP).

Guruswamy, Guru P.↗
NASA NTRS1998

Massively Parallel Solution of Poisson Equation on Coarse Grain MIMD Architectures

In this paper a new algorithm, designated as Fast Invariant Imbedding algorithm, for solution of Poisson equation on vector and massively parallel MIMD architectures is presented. This algorithm achieves the same optimal computational efficiency as other Fast Poisson solvers while offering a much better structure for vector and parallel implementation. Our implementation on the Intel Delta and Paragon shows that a speedup of over two orders of magnitude can be achieved even for moderate size problems.

parallel algorithms MIMD parallel architectures↗
NASA NTRS2012

Frameworks Coordinate Scientific Data Management

Jet Propulsion Laboratory computer scientists developed a unique software framework to help NASA manage its massive amounts of science data. Through a partnership with the Apache Software Foundation of Forest Hill, Maryland, the technology is now available as an open-source solution and is in use by cancer researchers and pediatric hospitals.

Source record↗
NASA NTRS2008

AMAPS - A new paradigm for data distribution and analysis

Technological advancements in computing power and storage have made possible the collection and analysis of massive scientific datasets. Distribution has improved dramatically in recent years by making the data web-accessible.

Wilson, Brian↗
NASA NTRS2021

Grappling Spacecraft

This article provides a survey overview of the techniques, mechanisms, algorithms, and test and validation strategies required for the design of roboticgrappling vehicles intended to approach and grapple free-flying client satellites. We concentrate on using a robotic arm to grapple a free-floating spacecraft, as distinct from spacecraft docking and berthing, where two spacecraft directly mate with each other. Robotic grappling of client spacecraft is a deceptively complex problem: It entails designing a robotic system that functions robustly in the visually stark, thermally extreme orbital environment,operating near massive and extremely expensive yet fragile client hardware,using relatively slow flight computers with limited and laggy communica-tions. Spaceflight robotic systems are challenging to test and validate priorto deployment and extremely expensive to launch, which significantly limitsopportunities to experiment with new techniques. These factors make thedesign and operation of orbital robotic systems significantly different fromthose of their terrestrial counterparts, and as a result, only a relative handfulof systems have been demonstrated on orbit. Nevertheless, there is increas-ing interest in on-orbit robotic servicing and assembly missions, and grap-pling is the core requirement for these systems. Although existing systemssuch as the Space Station Remote Manipulator System have demonstratedextremely reliable operation, upcoming missions will attempt to expand thetypes of spacecraft that can be safely and dependably grappled and berthed.

Carl Glen Henshaw↗
NASA NTRS1994

Parallel Preconditioning for CFD Problems on the CM-5

Up to today, preconditioning methods on massively parallel systems have faced a major difficulty. The most successful preconditioning methods in terms of accelerating the convergence of the iterative solver such as incomplete LU factorizations are notoriously difficult to implement on parallel machines for two reasons: (1) the actual computation of the preconditioner is not very floating-point intensive, but requires a large amount of unstructured communication, and (2) the application of the preconditioning matrix in the iteration phase (i.e. triangular solves) are difficult to parallelize because of the recursive nature of the computation. Here we present a new approach to preconditioning for very large, sparse, unsymmetric, linear systems, which avoids both difficulties. We explicitly compute an approximate inverse to our original matrix. This new preconditioning matrix can be applied most efficiently for iterative methods on massively parallel machines, since the preconditioning phase involves only a matrix-vector multiplication, with possibly a dense matrix. Furthermore the actual computation of the preconditioning matrix has natural parallelism. For a problem of size n, the preconditioning matrix can be computed by solving n independent small least squares problems. The algorithm and its implementation on the Connection Machine CM-5 are discussed in detail and supported by extensive timings obtained from real problem data.

Simon, Horst D.↗
NASA NTRS1992

The VLBA correlator: Real-time in the distributed era

The correlator is the signal processing engine of the Very Long Baseline Array (VLBA). Radio signals are recorded on special wideband (128 Mb/s) digital recorders at the 10 telescopes, with sampling times controlled by hydrogen maser clocks. The magnetic tapes are shipped to the Array Operations Center in Socorro, New Mexico, where they are played back simultaneously into the correlator. Real-time software and firmware controls the playback drives to achieve synchronization, compute models of the wavefront delay, control the numerous modules of the correlator, and record FITS files of the fringe visibilities at the back-end of the correlator. In addition to the more than 3000 custom VLSI chips which handle the massive data flow of the signal processing, the correlator contains a total of more than 100 programmable computers, 8-, 16- and 32-bit CPUs. Code is downloaded into front-end CPU's dependent on operating mode. Low-level code is assembly language, high-level code is C running under a RT OS. We use VxWorks on Motorola MVME147 CPU's. Code development is on a complex of SPARC workstations connected to the RT CPU's by Ethernet. The overall management of the correlation process is dependent on a database management system. We use Ingres running on a Sparcstation-2. We transfer logging information from the database of the VLBA Monitor and Control System to our database using Ingres/NET. Job scripts are computed and are transferred to the real-time computers using NFS, and correlation job execution logs and status flow back by the route. Operator status and control displays use windows on workstations, interfaced to the real-time processes by network protocols. The extensive network protocol support provided by VxWorks is invaluable. The VLBA Correlator's dependence on network protocols is an example of the radical transformation of the real-time world over the past five years. Real-time is becoming more like conventional computing. Paradoxically, 'conventional' computing is also adopting practices from the real-time world: semaphores, shared memory, light-weight threads, and concurrency. This appears to be a convergence of thinking.

Wells, D. C.↗
NASA NTRS1986

Transonic Navier-Stokes wing solutions using a zonal approach. Part 2: High angle-of-attack simulation

A computer code is under development whereby the thin-layer Reynolds-averaged Navier-Stokes equations are to be applied to realistic fighter-aircraft configurations. This transonic Navier-Stokes code (TNS) utilizes a zonal approach in order to treat complex geometries and satisfy in-core computer memory constraints. The zonal approach has been applied to isolated wing geometries in order to facilitate code development. Part 1 of this paper addresses the TNS finite-difference algorithm, zonal methodology, and code validation with experimental data. Part 2 of this paper addresses some numerical issues such as code robustness, efficiency, and accuracy at high angles of attack. Special free-stream-preserving metrics proved an effective way to treat H-mesh singularities over a large range of severe flow conditions, including strong leading-edge flow gradients, massive shock-induced separation, and stall. Furthermore, lift and drag coefficients have been computed for a wing up through CLmax. Numerical oil flow patterns and particle trajectories are presented both for subcritical and transonic flow. These flow simulations are rich with complex separated flow physics and demonstrate the efficiency and robustness of the zonal approach.

Chaderjian, N. M.↗
DOE OSTI2021

Analytical WKB theory for high-harmonic generation and its application to massive Dirac electrons

Here we propose an analytical approach to high-harmonic generation (HHG) for nonperturbative low-frequency and high-intensity fields based on the (Jeffreys-)Wentzel-Kramers-Brillouin (WKB) approximation. By properly taking into account Stokes phenomena of WKB solutions, we obtain wave functions that systematically include the repetitive dynamics of production and acceleration of electron-hole pairs and quantum interference due to phase accumulation between different pair production times (Stückelberg phase). Using the obtained wave functions without relying on any phenomenological assumptions, we explicitly compute electric current (including intra- and interband contributions) as the source of HHG for a massive Dirac system in (1+1) dimensions under an ac electric field. We demonstrate that the WKB approximation agrees well with numerical results obtained by solving the time-dependent Schrödinger equation and point out that the quantum interference is important in HHG. We also predict in the deep nonperturbative regime that (1) harmonic intensities oscillate with respect to electric-field amplitude E 0 and frequency Ω with a period determined by the Stückelberg phase, (2) the cutoff order of HHG is determined by 2eE 0 ℏΩ 2 , with e being the electron charge, and that (3) noninteger harmonics, controlled by the Stückelberg phase, appear as a transient effect. Our WKB theory is particularly suited for a parameter regime, where the Keldysh parameter γ = (Δ/2)Ω/eE 0 ,with Δ being the gap size, is small. This parameter regime corresponds to intense lasers in the terahertz regime for realistic massive Dirac materials. Our analysis implies that the so-called HHG plateau can be observed at the terahertz frequency within the current technology.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A space-time parallel algorithm with adaptive mesh refinement for computational fluid dynamics

This work describes a space-time parallel algorithm with space-time adaptive mesh refinement (AMR). AMR with subcycling is added to multigrid reduction-in-time (MGRIT) in order to provide solution efficient adaptive grids with a reduction in work performed on coarser grids. This algorithm is achieved by integrating two software libraries: XBraid (Parallel time integration with multigrid. https://computation.llnl.gov/projects/parallel-timeintegration-multigrid) and Chombo (Chombo software package for AMR applications—design document, 2014). The former is a parallel time integration library using multigrid and the latter is a massively parallel structured AMR library. Employing this adaptive space-time parallel algorithm is Chord (Comput Fluids 123:202–217, 2015), a computational fluid dynamics (CFD) application code for solving compressible fluid dynamics problems. For the same solution accuracy, speedups are demonstrated from the use of space-time parallelization over the time-sequential integration on Couette flow and Stokes’ second problem. On a transient Couette flow case, at least a 1.5× speedup is achieved, and with a time periodic problem, a speedup of up to 13.7× over the time-sequential case is obtained. In both cases, the speedup is achieved by adding processors and exploring additional parallelization in time. The numerical experiments show the algorithm is promising for CFD applications that can take advantage of the time parallelism. Future work will focus on improving the parallel performance and providing more tests with complex fluid dynamics to demonstrate the full potential of the algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Evaluation of Best Practices in Mitigating Startup Costs on Leadership-Class Supercomputers

Supercomputers at Department of Energy (DOE) National Laboratories face a widening range of workloads, from traditional modeling and simulation to Artificial Intelligence model training or complex multi-stage workflows, and beyond. At DOE Leadership Computing Facilities like the Oak Ridge Leadership Computing Facility (OLCF), these workloads demand concurrent access to large portions of the supercomputer’s resources. Launching a job across massive supercomputers is challenging from the start; the file system struggles with a large backlog of metadata requests as tens of thousands of processes read thousands of the same files, and the compute job cannot start until this is completed. There are multiple existing approaches to calm this metadata storm, ranging from vendor-developed tools like sbcast to National Laboratory-developed tools like Spindle and Copper. In this paper, we benchmark and discuss three common approaches to improving compute job launch latencies on Frontier: Slurm’s sbcast tool, Spindle, and Copper. We evaluate these tools by measuring the launch latencies of four workloads: OSU Microbenchmark’s osu_init, Pynamic, Python import mpi4py, and Python import torch. We provide discussion of the results, highlighting data that meet expectations and that do not meet expectations.

Hagerty, Nick [ORNL] (ORCID:0000000330014414)↗
NASA NTRS1999

Compute as Fast as the Engineers Can Think! ULTRAFAST COMPUTING TEAM FINAL REPORT

This report documents findings and recommendations by the Ultrafast Computing Team (UCT). In the period 10-12/98, UCT reviewed design case scenarios for a supersonic transport and a reusable launch vehicle to derive computing requirements necessary for support of a design process with efficiency so radically improved that human thought rather than the computer paces the process. Assessment of the present computing capability against the above requirements indicated a need for further improvement in computing speed by several orders of magnitude to reduce time to solution from tens of hours to seconds in major applications. Evaluation of the trends in computer technology revealed a potential to attain the postulated improvement by further increases of single processor performance combined with massively parallel processing in a heterogeneous environment. However, utilization of massively parallel processing to its full capability will require redevelopment of the engineering analysis and optimization methods, including invention of new paradigms. To that end UCT recommends initiation of a new activity at LaRC called Computational Engineering for development of new methods and tools geared to the new computer architectures in disciplines, their coordination, and validation and benefit demonstration through applications.

Biedron, R. T.↗
DOE OSTI2022

Quantum materials for energy-efficient neuromorphic computing: Opportunities and challenges

Neuromorphic computing approaches become increasingly important as we address future needs for efficiently processing massive amounts of data. The unique attributes of quantum materials can help address these needs by enabling new energy-efficient device concepts that implement neuromorphic ideas at the hardware level. In particular, strong correlations give rise to highly non-linear responses, such as conductive phase transitions that can be harnessed for short- and long-term plasticity. Similarly, magnetization dynamics are strongly non-linear and can be utilized for data classification. This Perspective discusses select examples of these approaches and provides an outlook on the current opportunities and challenges for assembling quantum-material-based devices for neuromorphic functionalities into larger emergent complex network systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PyCDFT: A Python package for constrained density functional theory

In this paper, we present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation of CDFT, and allows for both single-point self-consistent-field calculations and geometry optimizations. PyCDFT is designed to interface with existing density functional theory (DFT) codes to perform CDFT calculations where constraint potentials are added to the Kohn–Sham Hamiltonian. Here, we demonstrate the use of PyCDFT by performing calculations with a massively parallel first-principles molecular dynamics code, Qbox, and we benchmark its accuracy by computing the electronic coupling between diabatic states for a set of organic molecules. We show that PyCDFT yields results in agreement with existing implementations and is a robust and flexible package for performing CDFT calculations. The program is available at https://dx.doi.org/10.5281/zenodo.3821097.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

An Overview of NASA Langley Low-Speed CFD Contributions to the Space Launch System Program

In this review paper, low-speed computational work from NASA Langley in support of the Space Launch System (SLS) is discussed. This information includes both historic and present efforts with the Kestrel CFD solver. The low-speed aerodynamics of SLS is highly complex and analysis of the unsteady flowfield requires significant computational efforts. The SLS mission profile varies from the vehicle static on the launch pad through high-speed ascent, and this paper focuses on the prelaunch as well as liftoff and transition portions of the flight both in proximity to the launch tower and in isolation. High-alpha conditions, as large as 90~deg, result in a flowfield dominated by massive, large-scale flow separation and asymmetric vortices. High-fidelity solutions require an unsteady computational formulation to accurately capture the aerodynamics of the vehicle. A detailed discussion of the computational approach is presented, followed by key efforts to support the program.

Brent W Pomeroy↗
NASA NTRS2024

Low-Speed Space Launch System Computational Fluid Dynamics: A Comprehensive Overview

In this review paper, low-speed computational work from NASA Langley in support of the Space Launch System (SLS) is discussed. This information includes both historic and present efforts with the Kestrel CFD solver. The low-speed aerodynamics of SLS is highly complex and analysis of the unsteady flowfield requires significant computational efforts. The SLS mission profile varies from the vehicle static on the launch pad through high-speed ascent, and this paper focuses on the prelaunch as well as liftoff and transition portions of the flight both in proximity to the launch tower and in isolation. High-alpha conditions, as large as 90 deg, result in a flowfield dominated by massive, large-scale flow separation and asymmetric vortices. High-fidelity solutions require an unsteady computational formulation to accurately capture the aerodynamics of the vehicle. A detailed discussion of the computational approach is presented, followed by key efforts to support the program, both historic and present, including information which has been either previously published or that has never before published external to NASA.

Brent Pomeroy↗