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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A method for crystallographic mapping of an alpha-beta titanium alloy with nanometre resolution using scanning precession electron diffraction and open-source software libraries

An approach for the crystallographic mapping of two-phase alloys on the nanoscale using a combination of scanned precession electron diffraction and open-source python libraries is introduced in this paper. This method is demonstrated using the example of a two-phase α/β titanium alloy. The data were recorded using a direct electron detector to collect the patterns, and recently developed algorithms to perform automated indexing and analyse the crystallography from the results. Very high-quality mapping is achieved at a 3 nm step size. The results show the expected Burgers orientation relationships between the α laths and β matrix, as well as the expected misorientations between α laths. A minor issue was found that one area was affected by 180° ambiguities in indexing occur due to this area being aligned too close to a zone axis of the α with twofold projection symmetry (not present in 3D) in the zero-order Laue Zone, and this should be avoided in data acquisition in the future. Nevertheless, this study demonstrates a good workflow for the analysis of nanocrystalline two- or multi-phase materials, which will be of widespread use in analysing two-phase titanium and other systems and how they evolve as a function of thermomechanical treatments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The ITensor Software Library for Tensor Network Calculations

ITensor is a system for programming tensor network calculations with an interface modeled on tensor diagrams, allowing users to focus on the connectivity of a tensor network without manually bookkeeping tensor indices. The ITensor interface rules out common programming errors and enables rapid prototyping of algorithms. After discussing the philosophy behind the ITensor approach, we show examples of each part of the interface including Index objects, the ITensor product operator, tensor factorizations, tensor storage types, algorithms for matrix product state (MPS) and matrix product operator (MPO) tensor networks, quantum number conserving block sparse tensors, and the NDTensors library. We also review publications that have used ITensor for quantum many-body physics and for other areas where tensor networks are increasingly applied. To conclude we discuss promising features and optimizations to be added in the future.

Fishman, Matthew↗
DOE OSTI2020

Java Software Extensibility Library

The Java Software Extensibility Library provides tools that help Java software developers produce flexible and extensible Java applications. The major components include a Plugin Library and a Polymorphic Map data structure. The Plugin Library provides developers with a Plugin Registry and a standard pattern for designing, versioning, registering, retrieving, and annotating plugins. It also enables advanced capabilities such as loading plugins at runtime, and creating/loading encrypted plugin packages. The Polymorphic Map data structure facilitates the storage and retrieval of objects of varying types within a single data structure; while maintaining type safety. The library also provides a standard design pattern for producing application-specific "Domain Maps" and "Closed Domain Maps".SAND2020-3816 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Fleschute, Christopher↗
NASA NTRS2013

Flight Software Math Library

The flight software (FSW) math library is a collection of reusable math components that provides typical math utilities required by spacecraft flight software. These utilities are intended to increase flight software quality reusability and maintainability by providing a set of consistent, well-documented, and tested math utilities. This library only has dependencies on ANSI C, so it is easily ported. Prior to this library, each mission typically created its own math utilities using ideas/code from previous missions. Part of the reason for this is that math libraries can be written with different strategies in areas like error handling, parameters orders, naming conventions, etc. Changing the utilities for each mission introduces risks and costs. The obvious risks and costs are that the utilities must be coded and revalidated. The hidden risks and costs arise in miscommunication between engineers. These utilities must be understood by both the flight software engineers and other subsystem engineers (primarily guidance navigation and control). The FSW math library is part of a larger goal to produce a library of reusable Guidance Navigation and Control (GN&C) FSW components. A GN&C FSW library cannot be created unless a standardized math basis is created. This library solves the standardization problem by defining a common feature set and establishing policies for the library s design. This allows the libraries to be maintained with the same strategy used in its initial development, which supports a library of reusable GN&C FSW components. The FSW math library is written for an embedded software environment in C. This places restrictions on the language features that can be used by the library. Another advantage of the FSW math library is that it can be used in the FSW as well as other environments like the GN&C analyst s simulators. This helps communication between the teams because they can use the same utilities with the same feature set and syntax.

McComas, David↗
DOE OSTI2016

SU-G-BRB-02: An Open-Source Software Analysis Library for Linear Accelerator Quality Assurance

Purpose: Routine linac quality assurance (QA) tests have become complex enough to require automation of most test analyses. A new data analysis software library was built that allows physicists to automate routine linear accelerator quality assurance tests. The package is open source, code tested, and benchmarked. Methods: Images and data were generated on a TrueBeam linac for the following routine QA tests: VMAT, starshot, CBCT, machine logs, Winston Lutz, and picket fence. The analysis library was built using the general programming language Python. Each test was analyzed with the library algorithms and compared to manual measurements taken at the time of acquisition. Results: VMAT QA results agreed within 0.1% between the library and manual measurements. Machine logs (dynalogs & trajectory logs) were successfully parsed; mechanical axis positions were verified for accuracy and MLC fluence agreed well with EPID measurements. CBCT QA measurements were within 10 HU and 0.2mm where applicable. Winston Lutz isocenter size measurements were within 0.2mm of TrueBeam’s Machine Performance Check. Starshot analysis was within 0.2mm of the Winston Lutz results for the same conditions. Picket fence images with and without a known error showed that the library was capable of detecting MLC offsets within 0.02mm. Conclusion: A new routine QA software library has been benchmarked and is available for use by the community. The library is open-source and extensible for use in larger systems.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Distributed Grid Control of Flexible Loads and DERs for Optimized Provision of Synthetic Regulating Reserves

Over the course of this project, we have successfully de-risked our distributed microgrid control architecture by tightly integrating its associated control algorithms into a unified software library, installing the software library on several industrial-grade target hardware platforms, and validating the performance of the resulting microgrid controller in a real-life microgrid. Upon completion of the project, we demonstrated that our distributed control architecture is resilient against (i) failures in control devices, (ii) unreliable communication links, (iii) delays in transmitted data, and (iv) imperfect knowledge of the number of (and state of) generation and load assets in the microgrid. In this final report, we present results from all the milestones that were accomplished over the course of this project.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2004

PVM Wrapper

PVM Wrapper is a software library that makes it possible for code that utilizes the Parallel Virtual Machine (PVM) software library to run using the message-passing interface (MPI) software library, without needing to rewrite the entire code. PVM and MPI are the two most common software libraries used for applications that involve passing of messages among parallel computers. Since about 1996, MPI has been the de facto standard. Codes written when PVM was popular often feature patterns of {"initsend," "pack," "send"} and {"receive," "unpack"} calls. In many cases, these calls are not contiguous and one set of calls may even exist over multiple subroutines. These characteristics make it difficult to obtain equivalent functionality via a single MPI "send" call. Because PVM Wrapper is written to run with MPI- 1.2, some PVM functions are not permitted and must be replaced - a task that requires some programming expertise. The "pvm_spawn" and "pvm_parent" function calls are not replaced, but a programmer can use "mpirun" and knowledge of the ranks of parent and child tasks with supplied macroinstructions to enable execution of codes that use "pvm_spawn" and "pvm_parent."

Katz, Daniel↗
DOE OSTI2020

ECP ST Project 2.3.1.06-STPM08-RAJA (Final Report)

Modern high-performance computing architectures are diverse, with hardware designs that feature multicore CPUs and CPUs plus accelerators, such as GPUs or FPGAs. Achieving good application performance often requires using a programming model and managing application data in ways that are best suited to a particular platform. For large codes that are used daily in production, and are under continual development, architecture-specific ports are untenable. Maintainability requires single-source code that is performance portable across a range of architectures and programming model back-ends. This report describes RAJA, Umpire, and CHAI, three software libraries that provide complementary capabilities to enable application portability for high performance computing (HPC) platforms. In particular, these libraries provide software abstractions that insulate application source code from hardware architecture and programming model-specific implementation details. These development of these libraries was motivated by the needs of multiphysics applications in the Weapons Simulation and Computing Program (WSC) at Lawrence Livermore National Laboratory (LLNL). Funding though the Exascale Computing Project (ECP) Software Technology (ST) project 2.3.1.06 RAJA has fostered outreach and collaboration with the ECP application and software technology development communities. In this report, we describe ECP adoption and integration of these tools to this point. The larger goal of the report is to describe to the ECP community what these projects offer, how they are used, and how to approach adoption and integration of them.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Collection Of Software For Computer Graphics

Ames Research Graphics System (ARCGRAPH) collection of software libraries and software utilities assisting researchers in generating, manipulating, and visualizing graphical data. Defines metafile format containing device-independent graphical data. File format used with various computer-graphics-manipulation and -animation software packages at Ames, including SURF (COSMIC Program ARC-12381) and GAS (COSMIC Program ARC-12379). Consists of two-stage "pipeline" used to put out graphical primitives. ARCGRAPH libraries developed on VAX computer running VMS.

Hibbard, Eric A.↗
DOE OSTI2024

ECP libraries and tools: An overview

The Exascale Computing Project (ECP) Software Technology and Co-Design teams addressed the growing complexities in high-performance computing (HPC) by developing scalable software libraries and tools that leverage exascale system capabilities. As we enter the exascale era, the need for reusable, optimized software solutions that can handle the unique challenges posed by these systems becomes increasingly important. The primary challenges the ECP teams faced were to create software libraries and tools that are performant on exascale architectures and portable and usable across diverse hardware platforms. Efforts addressed issues related to concurrent execution, memory management, and the integration of heterogeneous computing resources, such as GPUs from multiple vendors. The ECP’s strategy involved a structured development process encompassing the creation, optimization, and deployment of software in collaboration with industry, academia, and national laboratories. The project was organized into several technical areas: co-design of domain-specific suites with target applications, programming models and runtimes, development tools, mathematical libraries, data and visualization tools, and software ecosystem and delivery mechanisms. ECP has successfully developed a large portfolio of software libraries and tools that demonstrate significant improvements in performance and scalability on exascale systems. These products have been integrated into the Department of Energy’s computing facilities, supporting various scientific applications and ensuring robust performance across different hardware setups. ECP advancements in software development for exascale computing highlight the importance of a collaborative and adaptive approach to handling next-generation HPC systems complexities. The lessons learned emphasize the need for continuous engagement with end-users and vendors, and the importance of maintaining a balance between innovation and practical implementation. Future efforts will focus on ensuring scalability, keeping pace with rapid hardware advancements, and further enhancing the interoperability and usability of the software ecosystem. In conclusion, subsequent articles in this special issue provide in-depth discussions and case studies into specific library and tool efforts.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Application Reuse Library for Software, Requirements, and Guidelines

Better designs are needed for expert systems and other operations automation software, for more reliable, usable and effective human support. A prototype computer-aided Application Reuse Library shows feasibility of supporting concurrent development and improvement of advanced software by users, analysts, software developers, and human-computer interaction experts. Such a library expedites development of quality software, by providing working, documented examples, which support understanding, modification and reuse of requirements as well as code. It explicitly documents and implicitly embodies design guidelines, standards and conventions. The Application Reuse Library provides application modules with Demo-and-Tester elements. Developers and users can evaluate applicability of a library module and test modifications, by running it interactively. Sub-modules provide application code and displays and controls. The library supports software modification and reuse, by providing alternative versions of application and display functionality. Information about human support and display requirements is provided, so that modifications will conform to guidelines. The library supports entry of new application modules from developers throughout an organization. Example library modules include a timer, some buttons and special fonts, and a real-time data interface program. The library prototype is implemented in the object-oriented G2 environment for developing real-time expert systems.

Malin, Jane T.↗
NASA NTRS1991

IRAS software analysis library

The goal of this project was to collect 'research software' written in Interactive Data Language (IDL) to support analysis of data from the Infrared Astronomical Satellite (IRAS) and make it available to the larger community. 'Research Software' describes software created by researchers and staff for a specific research goal, but lacks sufficient documentation, easy to use interfaces, and rigorous debugging. Additionally, most of the IDL/IRAS code available needed to be ported to a (largely) hardware independent new version of IDL.

Domik, Gitta↗
DOE OSTI2019

Ongoing solution reproducibility of earth system models as they progress toward exascale computing

We present a methodology for solution reproducibility for the Energy Exascale Earth System Model during its ongoing software infrastructure development to prepare for exascale computers. The nonlinear chaotic nature of climate system simulations precludes traditional model verification approaches since machine precision differences—resulting from code refactoring, changes in software environment, and so on—grow exponentially to a different weather state. Here, we leverage the nature of climate as a statistical description of the atmosphere in order to establish model reproducibility. We evaluate the degree to which two-sample equality of distribution tests can confidently detect the change in climate from minor tuning parameter changes on model output variables in order to establish the level of difference that indicates a new climate. To apply this (baselined test), we target a section of the model’s development cycle wherein no intentional science changes have been applied to its source code. We compare an ensemble of short simulations that were conducted using a verified model configuration against a new ensemble with the same configuration but with the latest software infrastructure (Common Infrastructure for Modeling the Earth, CIME5.0), compiler versions, and software libraries. We also compare these against ensemble simulations conducted using the original version of the software infrastructure (CIME4.0) of the earlier model configuration, but with the latest compilers and software libraries, to test the impact of new compilers and libraries in isolation from additional software infrastructure. The two-sample equality of distribution tests indicates that these ensembles indeed represent the same climate.

97 MATHEMATICS AND COMPUTING↗