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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The critical importance of software for HEP

Particle physics has an ambitious and broad global experimental programme for the coming decades. Large investments in building new facilities are already underway or under consideration. Scaling the present processing power and data storage needs by the foreseen increase in data rates in the next decade for HL-LHC is not sustainable within the current budgets. As a result, a more efficient usage of computing resources is required in order to realise the physics potential of future experiments. Software and computing are an integral part of experimental design, trigger and data acquisition, simulation, reconstruction, and analysis, as well as related theoretical predictions. A significant investment in computing and software is therefore critical. Advances in software and computing, including artificial intelligence (AI) and machine learning (ML), will be key for solving these challenges. Making better use of new processing hardware such as graphical processing units (GPUs) or ARM chips is a growing trend. This forms part of a computing solution that makes efficient use of facilities and contributes to the reduction of the environmental footprint of HEP computing. The HEP community already provided a roadmap for software and computing for the last EPPSU, and this paper updates that, with a focus on the most resource critical parts of our data processing chain.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

DXRD : a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs

The DXRD program suite consisting of a series of dynamical theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphical user interfaces (GUIs) allow general users to make complicated calculations with minimal effort. It can calculate plane-wave Darwin curves of single crystals (or multiple crystals) for both the Bragg and Laue cases, including grazing-incidence diffraction and backward diffraction (with Bragg angles approaching 90°). It is also capable of simulating rocking curves for divergent incident X-ray beams with finite bandwidths. A unique feature of DXRD is that it provides a convenient GUI-based multiple-beam diffraction program that can accurately compute arbitrary N-beam diffraction of any geometry using a universal 4N × 4N matrix method. DXRD also provides a mapping program for plotting all the multiple-beam diffraction lines (monochromator glitches) in the azimuth–energy coordinate system. All these functions make DXRD a convenient and powerful software tool for designing crystal-based synchrotron/X-ray optics (monochromators, analyzers, polarizers, phase plates etc.) and for crystal characterization, X-ray spectroscopy and X-ray diffraction teaching.

Bragg reflection↗
NASA NTRS2002

A Thermal Management Systems Model for the NASA GTX RBCC Concept

The Vehicle Integrated Thermal Management Analysis Code (VITMAC) was further developed to aid the analysis, design, and optimization of propellant and thermal management concepts for advanced propulsion systems. The computational tool is based on engineering level principles and models. A graphical user interface (GUI) provides a simple and straightforward method to assess and evaluate multiple concepts before undertaking more rigorous analysis of candidate systems. The tool incorporates the Chemical Equilibrium and Applications (CEA) program and the RJPA code to permit heat transfer analysis of both rocket and air breathing propulsion systems. Key parts of the code have been validated with experimental data. The tool was specifically tailored to analyze rocket-based combined-cycle (RBCC) propulsion systems being considered for space transportation applications. This report describes the computational tool and its development and verification for NASA GTX RBCC propulsion system applications.

Traci, Richard M.↗
NASA NTRS1983

Interactive Graphics Analysis for Aircraft Design

Program uses higher-order far field drag minimization. Computer program WDES WDEM preliminary aerodynamic design tool for one or two interacting, subsonic lifting surfaces. Subcritical wing design code employs higher-order far-field drag minimization technique. Linearized aerodynamic theory used. Program written in FORTRAN IV.

Townsend, J. C.↗
NASA NTRS1980

NASA charging analyzer program

Computer program predicts electrostatic charging of three dimensional, conducting object partially or completely covered with dielectric films. Program is useful in describing spacecraft charging and material accumulation in plasma environment of magnetosphere. Numerous graphic outputs are implemented. Language is FORTRAN V, for batch execution on 1100-series computer.

Cassidy, J. J., III↗
NASA NTRS1990

Graphical interfaces for cooperative planning systems

Based on a cognitive task analysis of 5 airline flight crews in a simulator study, researchers have designed a testbed for studying computer aids for en route flight path planning. This testbed runs on a Mac II controlling three color monitors, and is being used to study the design of aids for both dispatchers and flight crews. Specifically, the research focuses on design concepts for developing cooperative problem-solving systems. We use en route flight planning (selecting alternate routes or destinations due to unanticipated weather, traffic, malfunctions, etc.) as the context for studying the design of such systems. Researchers are currently exploring three questions in this test environment: (1) When interacting with a flight planning aid, how does the role of the pilot influence overall system performance; (2) Can the architecture for a cooperative planning system be built around Sacerdoti's (1983) concept of an abstraction hierarchy, where the pilot can interact with the system at many different levels of detail (but where the computer aid by default handles lower level details that the pilot has chosen not to deat with); and (3) Can graphical displays and direct manipulation of these displays provide perceptual enhancements (Larkin and Simon, 1987) of the pilot's problem-solving activities. Information is given in viewgraph form.

Smith, Philip J.↗
DOE OSTI2023

VTK-m: Visualization for the Exascale Era and Beyond

A recent trend in modern high-performance computing is the increasing use of hybrid architectures, where the vast majority of performance comes from accelerators. Modern accelerators are based on Graphics Processing Units (GPU) that contain many low power cores that in their aggregate provides an extremely high computation rate. Current and future CPU processors are requiring more explicit parallelism as each successive version of the hardware packs in more cores, and technologies like hyperthreading and vector operations require even more parallel processing to leverage each core’s full potential. As an example, the Frontier supercomputer installed at Oak Ridge National Laboratories recently hit a record breaking 1.1 exaflops1 on the LINPACK HPC benchmark [Shoemaker 2022]. The system contains 37632 AMD MI250x GPUs which requires more than half a billion threads to keep the system fully utilized [Khizeran 2022].VTK-m is a toolkit of scientific visualization algorithms for these emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures.

Bolstad, Mark↗
NASA NTRS1992

An adaptive structure data acquisition system using a graphical-based programming language

An example of the implementation of data fusion using a PC and a graphical programming language is discussed. A schematic of the data acquisition system and user interface panel for an adaptive structure test are presented. The computer programs (a series of icons 'wired' together) are also discussed. The way in which using graphical-based programming software to control a data acquisition system can simplify analysis of data, promote multidisciplinary interaction, and provide users a more visual key to understanding their data are shown.

Baroth, Edmund C.↗
NASA NTRS1979

Acoustic scattering by circular cylinders of various aspect ratios

The effects of acoustic scattering on the useful frequency range of pressure gradient microphones were investigated experimentally between ka values of 0.407 and 4.232 using two circular cylindrical models (L/D = 0.5 and 0.25) having a 25 cm outside diameter. Small condenser microphones, attached to preamplifiers by flexible connectors, were installed from inside the cylindrical bodies, and flush mounted on the exterior surface of the cylinders. A 38 cm diameter woofer in a large speaker enclosure was used as the sound source. Surface pressure augmentation and phase differences were computed from measured data for various sound wave incidence angles. Results are graphically compared with theoretical predictions supplied by NASA for ka = 0.407, 2.288, and 4.232. All other results are tabulated in the appendices. With minor exceptions, the experimentally determined pressure augmentations agreed within 0.75 dB with theoretical predictions. The agreement for relative phase angles was within 5 percent without any exceptions. Scattering parameter variations with ka and L/D ratio, as computed from experimental data, are also presented.

Maciulaitis, A.↗
DOE OSTI2021

Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx

The numerical integration of the exchange–correlation (XC) potential is one of the primary computational bottlenecks in Gaussian basis set Kohn–Sham density functional theory (KS-DFT). To achieve optimal performance and accuracy, care must be taken in this numerical integration to preserve local sparsity as to allow for near linear weak scaling with system size. This leads to an integration scheme with several performance critical kernels which must be hand optimized for each architecture of interest. As the set of available accelerator hardware goes more diverse, a key challenge for developers of KS-DFT software is to maintain performance portability across a wide range of computational architectures. In this article, we examine a modular software design pattern which decouples the implementation details of performance critical kernels from the expression of high-level algorithmic workflows in a device-agnostic language such as C++; thus allowing for developers to target existing and emerging accelerator hardware within a single code base. We consider the efficacy of such a design pattern in the numerical integration of the XC potential by demonstrating its ability to achieve performance portability across a set of accelerator architectures which are representative of those on current and future U.S. Department of Energy Leadership Computing Facilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Parallel interior-point solver for block-structured nonlinear programs on SIMD/GPU architectures

Here, we investigate how to port the standard interior-point method to new exascale architectures for block-structured nonlinear programs with state equations. Computationally, we decompose the interior-point algorithm into two successive operations: the evaluation of the derivatives and the solution of the associated Karush-Kuhn-Tucker (KKT) linear system. Our method accelerates both operations using two levels of parallelism. First, we distribute the computations on multiple processes using coarse parallelism. Second, each process uses SIMD/GPU accelerators locally to accelerate the operations using fine-grained parallelism. The KKT system is reduced by eliminating the inequalities and the state variables from the corresponding equations. We demonstrate our method's capability on the supercomputer Polaris, a testbed for the future exascale Aurora system. Each node is equipped with four GPUs, a setup amenable to our two-level approach. Our experiments on the stochastic optimal power flow problem show that the reduction method is 50x faster than the sparse linear solver HSL MA57 running in serial on the CPU, and 6x faster than Pardiso running in parallel on CPU on the same number of processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Fixed-target serial crystallography at the Structural Biology Center

Serial synchrotron crystallography enables the study of protein structures under physiological temperature and reduced radiation damage by collection of data from thousands of crystals. The Structural Biology Center at Sector 19 of the Advanced Photon Source has implemented a fixed-target approach with a new 3D-printed mesh-holder optimized for sample handling. The holder immobilizes a crystal suspension or droplet emulsion on a nylon mesh, trapping and sealing a near-monolayer of crystals in its mother liquor between two thin Mylar films. Data can be rapidly collected in scan mode and analyzed in near real-time using piezoelectric linear stages assembled in an XYZ arrangement, controlled with a graphical user interface and analyzed using a high-performance computing pipeline. Here, the system was applied to two β-lactamases: a class D serine β-lactamase from Chitinophaga pinensis DSM 2588 and L1 metallo-β-lactamase from Stenotrophomonas maltophilia K279a.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

A Performance Model of In-Situ Techniques

The computational capacity of High-Performance Computing (HPC) systems increases continuously with the rapid development of central processing units (CPUs) and graphic processing units (GPUs), while the in-/output (IO) subsystem develops relatively slowly and storage capacity is also limited. Data-intensive applications, which are designed to leverage the high computational capacity of HPC resources, typically generate a considerable amount of data for post-processing visualizations and data analytics. The limited IO speed and storage space could lead to constraints in the actual performance of these applications and, therefore, scientific discovery. In-situ techniques, where data is visualized/analysed while still in memory rather than through disk, can contribute to alleviating these problems as they can reduce or even fully avoid data writing/reading through the IO subsystem to/from storage. However, the overall efficiency of insitu techniques crucially depends on the characteristics of both the in-situ tasks and the applications, and the resource distribution among them. Therefore, choosing the right in-situ approach (synchronous, asynchronous, or hybrid) and resource allocation is essential to minimize overhead and maximize the benefits of concurrent execution. In this paper, we present a performance model of in-situ techniques to find the most beneficial in-situ approach and the preferred resource configuration. We verify the high accuracy of our approach with over 6800 measurements and provide use cases with different applications.

Ju, Yi [Max Planck Computing and Data Facility, Ga↗
DOE OSTI2025

Introducing Kynema, an Open-Source Performance-Portable Flexible-Multibody-Dynamics Solver

In this talk we introduce Kynema, an open-source general flexible-multibody-dynamics solver that is well suited for simulating wind turbine structural dynamics. Kynema uses a Lie-group time integrator for constrained systems and runs on both CPUs and GPUs. Timing results for simulations are presented for the IEA 15-MW turbine with and without aerodynamic forces.

17 WIND ENERGY↗
NASA NTRS1976

A simplified application of the method of operators to the calculation disturbed motions of an airplane

A simplified treatment of the application of Heaviside's operational methods to problems of airplane dynamics is given. Certain graphical methods and logarithmic formulas that lessen the amount of computation involved are explained. The problem of representing a gust disturbance or control manipulation is taken up and it is pointed out that in certain cases arbitrary control manipulations may be dealt with as though they imposed specific constraints on the airplane, thus avoiding the necessity of any integration whatever.

Jones, R. T.↗
NASA NTRS1978

Interpolation and extrapolation of creep rupture data by the minimum commitment method. II - Oblique translation

An outline is presented of a new procedure, termed the oblique translation method, which emerged in the development of the focal point convergence method. Approaches for implementing the oblique translation method are discussed. It is shown that the new method is essentially a minimum commitment method when manually-graphically implemented, in the sense that the form of the functions involved are not forced into particular analytical forms. The individual constants and functions are independently determined. The minimum commitment concept is extended to the analysis of creep rupture data wherein each isothermal is to be generated by an oblique translation of the 'master curve' when plotted. Attention is given to a manual-graphical analysis, the preassessment of data, and an analysis by computer code.

Manson, S. S.↗