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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

ElementLIBS User's Guide: An operational aid for use and development

Laser-Induced Breakdown Spectroscopy or LIBS is a rapid, in-situ analytical technique where a laser of known energy is pulsed at the surface of an analyte. The laser pulse rapidly heats a localized area to many thousand degrees Kelvin, ablating part of the analyte and turning it into a plasma. As the plasma cools, excited atoms return to a ground state with known emission energies. This emitted energy is captured by various spectrometers and provides a spectrum of the emitted energies and intensities. This spectrum can be analyzed to provide the elemental composition of a sample by using known emission lines and relative abundance. ElementLIBS was developed for the SciAps hand-held LIBS model Z300 but will work with any model that provides a LIBS spectrum of similar resolution. The Z300 has an integrated resolution of 1/30 nm with a range of approximately 180nm – 960nm, providing an output spectrum of 23431 pixels across three spectrometers. These criteria are only provided as a reference, as the software was designed to work with any size spectrum, provided the input file is of the correct format and the models were developed using the same framework. If spectra of varying dimensions are used, the software will fail without warning and unusual events could occur.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

An Automated Method for Identifying Inconsistencies within Diagrammatic Software Requirements Specifications

The development of large-scale, composite software in a geographically distributed environment is an evolutionary process. Often, in such evolving systems, striving for consistency is complicated by many factors, because development participants have various locations, skills, responsibilities, roles, opinions, languages, terminology and different degrees of abstraction they employ. This naturally leads to many partial specifications or viewpoints. These multiple views on the system being developed usually overlap. From another aspect, these multiple views give rise to the potential for inconsistency. Existing CASE tools do not efficiently manage inconsistencies in distributed development environment for a large-scale project. Based on the ViewPoints framework the WHERE (Web-Based Hypertext Environment for requirements Evolution) toolkit aims to tackle inconsistency management issues within geographically distributed software development projects. Consequently, WHERE project helps make more robust software and support software assurance process. The long term goal of WHERE tools aims to the inconsistency analysis and management in requirements specifications. A framework based on Graph Grammar theory and TCMJAVA toolkit is proposed to detect inconsistencies among viewpoints. This systematic approach uses three basic operations (UNION, DIFFERENCE, INTERSECTION) to study the static behaviors of graphic and tabular notations. From these operations, subgraphs Query, Selection, Merge, Replacement operations can be derived. This approach uses graph PRODUCTIONS (rewriting rules) to study the dynamic transformations of graphs. We discuss the feasibility of implementation these operations. Also, We present the process of porting original TCM (Toolkit for Conceptual Modeling) project from C++ to Java programming language in this thesis. A scenario based on NASA International Space Station Specification is discussed to show the applicability of our approach. Finally, conclusion and future work about inconsistency management issues in WHERE project will be summarized.

Zhang, Zhong↗
DOE OSTI2013

Trilinos Developers SQE Guide: ASC Software Quality Engineering Practices Version 3.0

The Trilinos Project is an effort to develop algorithms and enabling technologies within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. A new software capability is introduced into Trilinos as a package. A Trilinos package is an integral unit and, although there are exceptions such as utility packages, each package is typically developed by a small team of experts in a particular algorithms area such as algebraic preconditioners, nonlinear solvers, etc. The Trilinos Developers SQE Guide is a resource for Trilinos package developers who are working under Advanced Simulation and Computing (ASC) and are therefore subject to the ASC Software Quality Engineering Practices as described in the Sandia National Laboratories Advanced Simulation and Computing (ASC) Software Quality Plan: ASC Software Quality Engineering Practices Version 3.0 document. The Trilinos Developer Policies webpage contains a lot of detailed information that is essential for all Trilinos developers. The Trilinos Software Lifecycle Model defines the default lifecycle model for Trilinos packages and provides a context for many of the practices listed in this document.

Willenbring, James Michael↗
DOE OSTI2025

New developments and verification of fusion blanket simulation capabilities in the MOOSE framework

Multiphysics modeling capabilities have a crucial role to play in the accelerated deployment of fusion energy. To that end, we developed new multiphysics fusion blanket simulation capabilities in the Multiphysics Object-Oriented Simulation Environment (MOOSE). Firstly, we expanded on the existing capabilities of the previously published work, by coupling 3D tritium transport modeling capabilities using the Tritium Migration Analysis Program, version 8 (TMAP8) to an existing tool including thermal hydraulics, fully three-dimensional (3D) heat transfer, and loosely coupled neutronics analysis. Secondly, we performed a thorough verification of the new capabilities and increased testing code coverage to meet MOOSE’s software quality standards. The MOOSE framework follows a strict software quality assurance plan to be Nuclear Quality Assurance, Level 1 compliant. The new multiphysics fusion blanket simulation capabilities are now held to the same standard. Thirdly, to demonstrate MOOSE’s new fusion blanket modeling capabilities, we performed a fully integrated, multiphysics simulation of a 3D solid ceramic breeder blanket design. This proof-of-concept simulation provides the temperature and tritium distribution across the blanket. In conclusion, the combined efforts towards software quality and the development of multiphysics coupling capabilities provide an effective and reliable framework for modeling solid ceramic fusion blankets using MOOSE.

modeling and simulation↗
DOE OSTI2015

A Comprehensive Validation Approach Using The RAVEN Code

The RAVEN computer code , developed at the Idaho National Laboratory, is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. RAVEN is a multi-purpose probabilistic and uncertainty quantification platform, capable to communicate with any system code. A natural extension of the RAVEN capabilities is the imple- mentation of an integrated validation methodology, involving several different metrics, that represent an evolution of the methods currently used in the field. The state-of-art vali- dation approaches use neither exploration of the input space through sampling strategies, nor a comprehensive variety of metrics needed to interpret the code responses, with respect experimental data. The RAVEN code allows to address both these lacks. In the following sections, the employed methodology, and its application to the newer developed thermal-hydraulic code RELAP-7, is reported.The validation approach has been applied on an integral effect experiment, representing natu- ral circulation, based on the activities performed by EG&G Idaho. Four different experiment configurations have been considered and nodalized.

PRA↗
DOE OSTI2015

Status of the phenomena representation, 3D modeling, and cloud-based software architecture development

Early in 2013, researchers at the Idaho National Laboratory outlined a technical framework to support the implementation of state-of-the-art probabilistic risk assessment to predict the safety performance of advanced small modular reactors. From that vision of the advanced framework for risk analysis, specific tasks have been underway in order to implement the framework. This report discusses the current development of a several tasks related to the framework implementation, including a discussion of a 3D physics engine that represents the motion of objects (including collision and debris modeling), cloud-based analysis tools such as a Bayesian-inference engine, and scenario simulations. These tasks were performed during 2015 as part of the technical work associated with the Advanced Reactor Technologies Program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C ++

As quantum computing hardware systems continue to advance, the research and development of performant, scalable, and extensible software architectures, languages, models, and compilers is equally as important to bring this novel coprocessing capability to a diverse group of domain computational scientists. For the field of quantum chemistry, applications and frameworks exist for modeling and simulation tasks that scale on heterogeneous classical architectures, and we envision the need for similar frameworks on heterogeneous quantum-classical platforms. Furthermore, we present the XACC system-level quantum computing framework as a platform for prototyping, developing, and deploying quantum-classical software that specifically targets chemistry applications. We review the fundamental design features in XACC, with special attention to its extensibility and modularity for key quantum programming workflow interfaces and provide an overview of the interfaces most relevant to simulations of chemistry. A series of examples demonstrating some of the state-of-the-art chemistry algorithms currently implemented in XACC are presented, while also illustrating the various APIs that would enable the community to extend, modify, and devise new algorithms and applications in the realm of chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

A new simulation model building process for use in dynamic systems integration research

A framework to build simulation models for aircraft dynamic systems integration is described. The objective of the framework is increased simulation model fidelity and reduced time required to develop and modify these models. The equations of motion for an elastic aircraft and their impact on the framework are discussed in broad terms. A software tool which automatically generates FORTRAN routines for tabular data lookups, the language used to develop a simulation model, and the structures for passing information into a simulation are discussed. A simulation variable nomenclature is presented. The framework has been applied to build an open-loop F/A-18 simulation model. This example model is used to illustrate model reduction issues. Current deficiencies in the framework are identified as areas for future research.

Arbuckle, P. Douglas↗
NASA NTRSDate not supplied

Rapid Spacecraft Payload Development: In-Orbit Demonstration of Flight Software Reuse, Scalability, and Dependability

As space mission design trends towards shared, multi-mission platforms and high-performance onboard computing architectures, the number of spacecraft launched into operation is also steadily rising. Through ridesharing, spacecraft miniaturization, and other cost-reduction measures, the barriers to space are lowering, resulting in compounded growth in the amount of flight software being deployed. To meet the needs of both the growing quantity and evolving nature of spacecraft, flight software design must accordingly adapt to support more efficient development, solutions to computational resource-sharing, and software reusability. This paper focuses on a software payload demonstrating several core technologies that improve the state-of-the-art in these identified areas. Launched into low-earth orbit in January 2022, our software payload was conceived, designed, and delivered in a span of merely two months. It was developed on top of the NASA core Flight System (cFS) framework and the Distributed Spacecraft Autonomy (DSA) Comm cFS application, which translates cFS software bus messages across a Data Distribution Service (DDS) network. The flight software, packaged in Linux container images, was deployed as one of 18 flight applications managed through the Unibap SpaceCloud Framework. The applications were run on a Unibap iX5-102 radiation-tolerant payload computer, hosted on the D-Orbit SCV-004 spacecraft as part of an ESA-sponsored in-orbit technology test. Our payload, referred to as the DSA D-Orbit software, demonstrates the reusability of the DSA Comm app in a substantially different context and purpose as its original mission. Comm’s original design goal was to reliably distribute messages between spacecraft swarms of arbitrary size and dynamic network topology. However, we leverage this same functionality to introduce redundancy and opportunistic parallel data processing in the context of a representative onboard image processing workload. This adaptive mission architecture was enabled in part by the SpaceCloud Framework’s use of container virtualization as the payload integration interface. By using a base container image with common high-level language runtimes and libraries, we were able to rapidly design, develop, and validate our image processing application without many of the technological barriers common to flight software development. We present details the goals, approach, results, and lessons learned through this technology demonstration experiment and contextualize those observations against present and future challenges in spacecraft software development.

computer programming↗
NASA NTRS2009

Multiscale Failure Analysis of Laminated Composite Panels Subjected to Blast Loading Using FEAMAC/Explicit

This preliminary report demonstrates the capabilities of the recently developed software implementation that links the Generalized Method of Cells to explicit finite element analysis by extending a previous development which tied the generalized method of cells to implicit finite elements. The multiscale framework, which uses explicit finite elements at the global-scale and the generalized method of cells at the microscale is detailed. This implementation is suitable for both dynamic mechanics problems and static problems exhibiting drastic and sudden changes in material properties, which often encounter convergence issues with commercial implicit solvers. Progressive failure analysis of stiffened and un-stiffened fiber-reinforced laminates subjected to normal blast pressure loads was performed and is used to demonstrate the capabilities of this framework. The focus of this report is to document the development of the software implementation; thus, no comparison between the results of the models and experimental data is drawn. However, the validity of the results are assessed qualitatively through the observation of failure paths, stress contours, and the distribution of system energies.

Pineda, Evan J.↗
NASA NTRS2006

An Operational Configuration of the ARPS Data Analysis System to Initialize WRF in the NM'S Environmental Modeling System

The Weather Research and Forecasting (WRF) model is the next generation community mesoscale model designed to enhance collaboration between the research and operational sectors. The NM'S as a whole has begun a transition toward WRF as the mesoscale model of choice to use as a tool in making local forecasts. Currently, both the National Weather Service in Melbourne, FL (NWS MLB) and the Spaceflight Meteorology Group (SMG) are running the Advanced Regional Prediction System (AIRPS) Data Analysis System (ADAS) every 15 minutes over the Florida peninsula to produce high-resolution diagnostics supporting their daily operations. In addition, the NWS MLB and SMG have used ADAS to provide initial conditions for short-range forecasts from the ARPS numerical weather prediction (NWP) model. Both NM'S MLB and SMG have derived great benefit from the maturity of ADAS, and would like to use ADAS for providing initial conditions to WRF. In order to assist in this WRF transition effort, the Applied Meteorology Unit (AMU) was tasked to configure and implement an operational version of WRF that uses output from ADAS for the model initial conditions. Both agencies asked the AMU to develop a framework that allows the ADAS initial conditions to be incorporated into the WRF Environmental Modeling System (EMS) software. Developed by the NM'S Science Operations Officer (S00) Science and Training Resource Center (STRC), the EMS is a complete, full physics, NWP package that incorporates dynamical cores from both the National Center for Atmospheric Research's Advanced Research WRF (ARW) and the National Centers for Environmental Prediction's Non-Hydrostatic Mesoscale Model (NMM) into a single end-to-end forecasting system. The EMS performs nearly all pre- and postprocessing and can be run automatically to obtain external grid data for WRF boundary conditions, run the model, and convert the data into a format that can be readily viewed within the Advanced Weather Interactive Processing System. The EMS has also incorporated the WRF Standard Initialization (SI) graphical user interface (GUT), which allows the user to set up the domain, dynamical core, resolution, etc., with ease. In addition to the SI GUT, the EMS contains a number of configuration files with extensive documentation to help the user select the appropriate input parameters for model physics schemes, integration timesteps, etc. Therefore, because of its streamlined capability, it is quite advantageous to configure ADAS to provide initial condition data to the EMS software. One of the biggest potential benefits of configuring ADAS for ingest into the EMS is that the analyses could be used to initialize either the ARW or NMM. Currently, the ARPS/ADAS software has a conversion routine only for the ARW dynamical core. However, since the NIvIM runs about 2.5 times faster than the ARW, it is quite advantageous to be able to run an ADAS/NMM configuration operationally due to the increased efficiency.

Case, Jonathan↗
DOE OSTI2018

Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures

An algorithm implemented in an open-source python library was developed for building periodic grain boundary models in a universal fashion. The software framework, aimsgb, aims to generate tilt and twist grain boundaries from an input cubic or non-cubic crystal structure for ab-initio and classical atomistic simulation. It can output a coincidence site lattice (CSL) grain boundary for a cubic input structure and a non-CSL grain boundary for a non-cubic input structure. This framework has two useful features: (i) it can calculate all the CSL matrices for generating CSL from a given Sigma (Σ) value and rotation axis, allowing the users to build the specific CSL and grain boundary models; (ii) it provides a convenient command line tool to enable high-throughput generation of tilt and twist grain boundaries by assigning an input crystal structure, Σ value, rotation axis, and grain boundary plane. Here, the developed algorithm in the open-source python library is expected to facilitate studies of grain boundary in materials science. The software framework is available on the website: aimsgb.org.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

A Distributed Python HPC Framework: ODIN, PyTrilinos, & Seamless

Under this grant, three significant software packages were developed or improved, all with the goal of improving the ease-of-use of HPC libraries. The first component is a Python package, named DistArray (originally named Odin), that provides a high-level interface to distributed array computing. This interface is based on the popular and widely used NumPy package and is integrated with the IPython project for enhanced interactive parallel distributed computing. The second Python package is the Distributed Array Protocol (DAP) that enables separate distributed array libraries to share arrays efficiently without copying or sending messages. If a distributed array library supports the DAP, it is then automatically able to communicate with any other library that also supports the protocol. This protocol allows DistArray to communicate with the Trilinos library via PyTrilinos, which was also enhanced during this project. A third package, PyTrilinos, was extended to support distributed structured arrays (in addition to the unstructured arrays of its original design), allow more flexible distributed arrays (i.e., the restriction to double precision data was lifted), and implement the DAP. DAP support includes both exporting the protocol so that external packages can use distributed Trilinos data structures, and importing the protocol so that PyTrilinos can work with distributed data from external packages.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Software development infrastructure for the HYBRID modeling and simulation project

One of the goals of the HYBRID modeling and simulation project is to assess the economic viability of hybrid systems in a market that contains renewable energy sources like wind. The idea is that it is possible for the nuclear plant to sell non-electric energy cushions, which absorb (at least partially) the volatility introduced by the renewable energy sources. This system is currently modeled in the Modelica programming language. To assess the economics of the system, an optimization procedure is trying to find the minimal cost of electricity production. The RAVEN code is used as a driver for the whole problem. It is assumed that at this stage, the HYBRID modeling and simulation framework can be classified as non-safety “research and development” software. The associated quality level is Quality Level 3 software. This imposes low requirements on quality control, testing and documentation. The quality level could change as the application development continues.Despite the low quality requirement level, a workflow for the HYBRID developers has been defined that include a coding standard and some documentation and testing requirements. The repository performs automated unit testing of contributed models. The automated testing is achieved via an open-source python script called BuildingsP from Lawrence Berkeley National Lab. BuildingsPy runs Modelica simulation tests using Dymola in an automated manner and generates and runs unit tests from Modelica scripts written by developers. In order to assure effective communication between the different national laboratories a biweekly videoconference has been set-up, where developers can report their progress and issues. In addition, periodic face-face meetings are organized intended to discuss high-level strategy decisions with management. A second means of communication is the developer email list. This is a list to which everybody can send emails that will be received by the collective of the developers and managers involved in the project. Thirdly, to exchange documents quickly, a SharePoint directory has been set-up. SharePoint allows teams and organizations to intelligently share, and collaborate on content from anywhere.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Sterile neutrinos and the global reactor antineutrino dataset

We present results from global fits to the available reactor antineutrino dataset, as of Fall 2019, to determine the global preference for a fourth, sterile neutrino. We have separately considered experiments that measure the integrated inverse-beta decay (IBD) rate from those that measure the energy spectrum of IBD events at one or more locations. The evidence that we infer from rate measurements varies between ≲ 3σ and negligible depending on the reactor antineutrino flux model employed. Moreover, we find that spectral ratios ostensibly imply ≳ 3σ evidence, consistent with previous work, though these measurements are known to be plagued by issues related to statistical interpretation; these results should therefore be viewed cautiously. The software used is the newly developed GLoBESfit tool set which is based on the publicly available GLoBES framework and will be released as open-source software.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2012

Statechart Analysis with Symbolic PathFinder

We report here on our on-going work that addresses the automated analysis and test case generation for software systems modeled using multiple Statechart formalisms. The work is motivated by large programs such as NASA Exploration, that involve multiple systems that interact via safety-critical protocols and are designed with different Statechart variants. To verify these safety-critical systems, we have developed Polyglot, a framework for modeling and analysis of model-based software written using different Statechart formalisms. Polyglot uses a common intermediate representation with customizable Statechart semantics and leverages the analysis and test generation capabilities of the Symbolic PathFinder tool. Polyglot is used as follows: First, the structure of the Statechart model (expressed in Matlab Stateflow or Rational Rhapsody) is translated into a common intermediate representation (IR). The IR is then translated into Java code that represents the structure of the model. The semantics are provided as "pluggable" modules.

Pasareanu, Corina S.↗
NASA NTRS1989

Software Management System

Transportable Applications Environment (TAE), a Goddard Space Flight Center developed software management system, organizes multiple computer programs by providing user interface development tools and a stable framework for a system. It binds applications into an easily operated whole and interfaces with users. The program also lowers system development and software conversion costs by providing software and structures for commonly recurring user requirements. Originally developed to support image processing and remote sensing applications, TAE is now used in scientific analysis and defense systems, and as a teaching tool by private industry and government. A support office assists users. New development areas are anticipated.

Source record↗
DOE OSTI2025

Atomate2: modular workflows for materials science

High-throughput density functional theory (DFT) calculations have become a vital element of computational materials science, enabling materials screening, property database generation, and training of “universal” machine learning models. While several software frameworks have emerged to support these computational efforts, new developments such as machine learned force fields have increased demands for more flexible and programmable workflow solutions. This manuscript introduces atomate2, a comprehensive evolution of our original atomate framework, designed to address existing limitations in computational materials research infrastructure. Key features include the support for multiple electronic structure packages and interoperability between them, along with generalizable workflows that can be written in an abstract form irrespective of the DFT package or machine learning force field used within them. Our hope is that atomate2's improved usability and extensibility can reduce technical barriers for high-throughput research workflows and facilitate the rapid adoption of emerging methods in computational material science.

97 MATHEMATICS AND COMPUTING↗