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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 847 records · Page 47

All sources NASA NTRS DOE OSTI

NASA NTRS1977

SUNSPOT: A computer program for producing optimal solar sail planetocentric trajectories

The input, output and subroutines, including listings, for the SUNSPOT code are described. SUNSPOT can calculate time optimal planetocentric trajectories including orbit-to-orbit transfer and orbit to a subescape point. Trajectories about the the four inner planets can be calculated, and shadowing, oblateness, and solar motion may be included. A penalty function may be included to prevent trajectories which intersect the planet's surface.

Sackett, L. L.↗

DOE OSTI2014

COMPOSE-HPC: Software Composition for Extreme Scale Computational Science and Engineering

Software composition is an important aspect of computational science software engineering due to large scale production science codes involving multiple programming languages, execution and concurrency models. To date, programmers must manage the complexity of building and maintaining such systems largely by hand with minimal (if any) automated assistance. As such, a great deal of programmer time is spent generating and maintaining code which leads to a high maintenance and development cost, as well as an increased risk of errors being introduced by hand than would be expected in an automated system. COMPOSE-HPC was a multi-institutional effort, with the Galois contribution focused on a specific area of code analysis and software infrastructure. Specifically, Galois led the design and implementation for the Parser for Annotations in a User-specified Language (PAUL), as well as collaborating with SNL and LLNL on the Retargetable Open Transformation Engine (ROTE). Both components were built on top of the ROSE compiler infrastructure from LLNL. All artifacts developed under the COMPOSE-HPC program are available on the github.com and sourceforge.net open source hosting sites under permissive BSD3 software licenses.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language

The computation of two-electron repulsion integrals (ERIs) is often the most expensive step of integral-direct self-consistent field methods. Formally it scales as O(N 4 ), where N is the number of Gaussian basis functions used to represent the molecular wave function. In practice, this scaling can be reduced to O(N 2 ) or less by neglecting small integrals with screening methods. The contributions of the ERIs to the Fock matrix are of Coulomb (J) and exchange (K) type and require separate algorithms to compute matrix elements efficiently. We previously implemented highly efficient GPU-accelerated J-matrix and K-matrix algorithms in the electronic structure code TeraChem. Although these implementations supported the use of multiple GPUs on a node, they did not support the use of multiple nodes. This presents a key bottleneck to cutting-edge ab initio simulations of large systems, e.g., excited state dynamics of photoactive proteins. We present our implementation of multinode multi-GPU J- and K-matrix algorithms in TeraChem using the Regent programming language. Regent directly supports distributed computation in a task-based model and can generate code for a variety of architectures, including NVIDIA GPUs. We demonstrate multinode scaling up to 45 GPUs (3 nodes) and benchmark against hand-coded TeraChem integral code. Finally, we also outline our metaprogrammed Regent implementation, which enables flexible code generation for integrals of different angular momenta.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

NEAMS Reactor Physics Project Management and Coordination Activities

The following report summarizes the coordination activities and collaboration efforts by research staff at Oak Ridge National Laboratory, Idaho National Laboratory, and Argonne National Laboratory for the development of Shift and Griffin computer codes under the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1996

Overview of HATP Experimental Aerodynamics Data for the Baseline F/A-18 Configuration

Determining the baseline aerodynamics of the F/A-18 was one of the major objectives of the High-Angle-of-Attack Technology Program (HATP). This paper will review the key data bases that have contributed to our knowledge of the baseline aerodynamics and the improvements in test techniques that have resulted from the experimental program. Photographs are given highlighting the forebody and leading-edge-extension (LEX) vortices. Other data representing the impact of Mach and Reynolds numbers on the forebody and LEX vortices will also be detailed. The level of agreement between different tunnels and between tunnels and flight will be illustrated using pressures, forces, and moments measured on a 0.06-scale model tested in the Langley 7- by 10-Foot High Speed Tunnel, a 0.16-scale model in the Langley 30- by 60-Foot Tunnel, a full-scale vehicle in the Ames 80- by 120-Foot Wind Tunnel, and the flight F/A-18 High Alpha Research Vehicle (HARV). Next, creative use of wind tunnel resources that accelerated the validation of the computational fluid dynamics (CFD) codes will be described. Lastly, lessons learned, deliverables, and program conclusions are presented.

Hall, Robert M.↗

NASA NTRS1979

Detailed description of the HP-9825A HFRMP trajectory processor (TRAJ)

The computer code for the trajectory processor of the HP-9825A High Fidelity Relative Motion Program is described in detail. The processor is a 12-degrees-of-freedom trajectory integrator which can be used to generate digital and graphical data describing the relative motion of the Space Shuttle Orbiter and a free-flying cylindrical payload. Coding standards and flow charts are given and the computational logic is discussed.

Kindall, S. M.↗

NASA NTRS2005

ANTLR Tree Grammar Generator and Extensions

A computer program implements two extensions of ANTLR (Another Tool for Language Recognition), which is a set of software tools for translating source codes between different computing languages. ANTLR supports predicated- LL(k) lexer and parser grammars, a notation for annotating parser grammars to direct tree construction, and predicated tree grammars. [ LL(k) signifies left-right, leftmost derivation with k tokens of look-ahead, referring to certain characteristics of a grammar.] One of the extensions is a syntax for tree transformations. The other extension is the generation of tree grammars from annotated parser or input tree grammars. These extensions can simplify the process of generating source-to-source language translators and they make possible an approach, called "polyphase parsing," to translation between computing languages. The typical approach to translator development is to identify high-level semantic constructs such as "expressions," "declarations," and "definitions" as fundamental building blocks in the grammar specification used for language recognition. The polyphase approach is to lump ambiguous syntactic constructs during parsing and then disambiguate the alternatives in subsequent tree transformation passes. Polyphase parsing is believed to be useful for generating efficient recognizers for C++ and other languages that, like C++, have significant ambiguities.

Craymer, Loring↗

DOE OSTI2013

SCALE Uncertainty Quantification Methodology for Criticality Safety Analysis of Used Nuclear Fuel

A methodology based on stochastic sampling of input data covariances has been developed for uncertainty quantification with the SCALE code system. This provides the capability to determine uncertainties for a wide range of responses computed with any SCALE sequence. The methods used in the stochastic computation are discussed here for determining the uncertainty in the multiplication factor of used nuclear fuel (UNF), taking into account the impact of nuclear data uncertainties on the depletion calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

Shields - Code Coupling

This PowerPoint presentation focuses on the history and benefits of the Space Weather Modeling Framework (SWMF) code and collaborative software development.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Delivering Science on Day One

While benchmarking software is useful for testing the performance limits and stability of Argonne National Laboratory’s new Theta supercomputer, there is no substitute for running real applications to explore the system’s potential. The Argonne Leadership Computing Facility’s Theta Early Science Program, modeled after its highly successful code migration program for the Mira supercomputer, has one primary aim: to deliver science on day one. Here is a closer look at the type of science problems that will be getting early access to Theta, a next-generation machine being rolled out this year.

Williams, Timothy J.↗

DOE OSTI2019

BCL: A Cross-Platform Distributed Data Structures Library

One-sided communication is a useful paradigm for irregular parallel applications, but most one-sided programming environments, including MPI's one-sided interface and PGAS programming languages, lack application-level libraries to support these applications. We present the Berkeley Container Library, a set of generic, cross-platform, high-performance data structures for irregular applications, including queues, hash tables, Bloom filters and more. BCL is written in C++ using an internal DSL called the BCL Core that provides one-sided communication primitives such as remote get and remote put operations. The BCL Core has backends for MPI, OpenSHMEM, GASNet-EX, and UPC++, allowing BCL data structures to be used natively in programs written using any of these programming environments. Along with our internal DSL, we present the BCL ObjectContainer abstraction, which allows BCL data structures to transparently serialize complex data types while maintaining efficiency for primitive types. We also introduce the set of BCL data structures and evaluate their performance across a number of high-performance computing systems, demonstrating that BCL programs are competitive with hand-optimized code, even while hiding many of the underlying details of message aggregation, serialization, and synchronization.

Brock, Benjamin↗

DOE OSTI2022

Profiling and Optimization [Slides]

Intended for Simulating Physics using Efficient and Effective code Development (SPEED) program. This is a LANL internal lecture series for computational science application developers.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Development of Integrated Thermal Fluids Modeling Capability for MSRs

The DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad class of light-water and advanced reactor concepts. The research and development approach under thermal fluids technical area synergistically combines three length and time scales in a hierarchal multi-scale approach. To demonstrate the feasibility and capabilities of a multi-scale thermal fluids capability using these codes, a key joint effort has been pursued to develop an integrated system-and engineering-scale thermal fluids analysis capability with the MOOSE-based codes, through integration of SAM and Pronghorn, both based on the MOOSE framework. This report summarizes the progress in developing an integrated system- and engineering-scale thermal fluids analysis capability based on SAM and Pronghorn for molten salt reactors (MSRs), which gained significant interest in recently years. Two coupling approaches were studied, i.e. separate domain or domain-segregated coupling approach and the domain-overlapping approach. A series of coupled multi-physics models have been developed for a common reference molten salt fast reactor (MSFR) concept, ranging from standalone SAM system model to integrated SAM-Pronghorn-Griffin models. Both the steady state and the transient simulations are performed to the state-of-the-art simulation capabilities of NEAMS software suite in MSFR system applications. This report also covers further development and testing of the gas transport model in SAM for MSR modeling support. The presence of noncondensable gas in MSR systems would have strong impacts on fission gas removal and transport of noble metals throughout the system. Fission products removed through the off-gas system can also impact reactivity and can act as an additional point of heat removal. To ensure that the gas transport model is adequately tested, the supported modeling capabilities and features of SAM were identified, and a suite of tests were developed to test the model for each identified feature. Validation and UQ testing were also performed for the model and demonstrated that the buoyancy term, which was originally developed using non-salt/helium gas experimental data, can capture the experimental gas bubble velocity and diameter to within experimental and code uncertainty. An existing MSRE model was also modified in this work to include the gas transport model and to demonstrate the gas model behavior for realistic conditions of interest.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1968

Computer program TRACK performs transient and/or steady state thermal analysis with coupled fluid flow and heat conduction

Computer program called TRACK was developed by combining a transient fluid flow computer code and the existing modified TOSS heat conduction code to perform the computation.

Lee, A. Y.↗

NASA NTRS1971

A study of the electromagnetic interaction between planetary bodies and the solar wind

Theoretical and computational techniques were developed for calculating the time dependent electromagnetic response of a radially inhomogeneous moon. The techniques were used to analyze the experimental data from the LSM (lunar surface magnetometer) thus providing an in-depth diagnostic of the Lunar interior. The theory was also incorporated into an existing computer code designed to calculate the thermal evolution of planetary bodies. The program will provide a tool for examining the effect of heating from the TE mode (poloidal magnetic field) as well as the TM mode (toroidal magnetic field).

Schwartz, K.↗

NASA NTRS1972

Astronauts' menu problem.

Consideration of the problems involved in choosing appropriate menus for astronauts carrying out SKYLAB missions lasting up to eight weeks. The problem of planning balanced menus on the basis of prepackaged food items within limitations on the intake of calories, protein, and certain elements is noted, as well as a number of other restrictions of both physical and arbitrary nature. The tailoring of a set of menus for each astronaut on the basis of subjective rankings of each food by the astronaut in terms of a 'measure of pleasure' is described, and a computer solution to this problem by means of a mixed integer programming code is presented.

Lesso, W. G.↗

NASA NTRS1974

Buckling of conical shell with local imperfections

Small geometric imperfections in thin-walled shell structures can cause large reductions in buckling strength. Most imperfections found in structures are neither axisymmetric nor have the shape of buckling modes but rather occur locally. This report presents the results of a study of the effect of local imperfections on the critical buckling load of a specific axially compressed thin-walled conical shell. The buckling calculations were performed by using a two-dimensional shell analysis program referred to as the STAGS (Structural Analysis of General Shells) computer code, which has no axisymmetry restrictions. Results show that the buckling load found from a bifurcation buckling analysis is highly dependent on the circumferential arc length of the imperfection type studied. As the circumferential arc length of the imperfection is increased, a reduction of up to 50 percent of the critical load of the perfect shell can occur. The buckling load of the cone with an axisymmetric imperfections is nearly equal to the buckling load of imperfections which extended 60 deg or more around the circumference, but would give a highly conservative estimate of the buckling load of a shell with an imperfection of a more local nature.

Cooper, P. A.↗