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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗
DOE OSTI2023

Building an Efficient Cluster Cosmology Software Package for Modeling Cluster Counts and Lensing

We introduce a software suite developed for galaxy cluster cosmological analysis with the Dark Energy Survey Data. Cosmological analyses based on galaxy cluster number counts and weak-lensing measurements need efficient software infrastructure to explore an increasingly large parameter space, and account for various cosmological and astrophysical effects. Our software package is designed to model the cluster observables in a wide-field optical survey, including galaxy cluster counts, their averaged weak-lensing masses, or the cluster's averaged weak-lensing radial signals. To ensure maximum efficiency, this software package is developed in C++ in the CosmoSIS software framework, making use of the CUBA integration library. We also implement a testing and validation scheme to ensure the quality of the package. We demonstrate the effectiveness of this development by applying the software to the Dark Energy Survey Year 1 galaxy cluster cosmological data sets, and acquired cosmological constraints that are consistent with the fiducial Dark Energy Survey analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Integrated System Planning: Emerging Software Requirements in the Power Industry

Power system planning software remains fragmented across organizational boundaries, with specialized tools for capacity expansion, production cost modeling, power flow, and dynamic analysis operating on incompatible data models and assumptions. This article argues that the fragmentation is not merely a technical problem but a predictable consequence of Conway's law: software architectures mirror the departmental structures within which they are developed. Regulatory milestones like Federal Energy Regulatory Commission (FERC) Order 888 formalized these divisions, but the roots trace back to the distinct engineering disciplines-mechanical, chemical, and electrical-that staffed generation and transmission planning departments in vertically integrated utilities. As the industry moves toward integrated system planning (ISP) that coordinates generation, transmission, and distribution investment decisions, the software ecosystem must evolve accordingly. We identify five categories of software requirements to enable this transition: coherent data inputs decoupled from individual applications, unified and extensible data schemas, modular component representations that support multiple abstraction levels, lifecycle management of planning datasets, and well-defined application programming interface (API) contracts that separate data exchange from algorithmic control. We examine how these requirements interact with three common workflow patterns-serial gate clearing, sequential multiapplication, and convergence oriented-and discuss the interface design principles each demands. We then outline a vision for platform-based planning architectures where specialized analytical services compose through standardized interfaces and where artificial intelligence (AI)/machine learning (ML) tools augment decision support within a disciplined software infrastructure. The practices proposed here offer a path from today's siloed tool collections toward collaborative planning ecosystems capable of handling the complexity of modern power system transformation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

A transcriptome software comparison for the analyses of treatments expected to give subtle gene expression responses

Background: In this comparative study we evaluate the performance of four software tools: DNAstar-D (DESeq2), DNAstar-E (edgeR), CLC Genomics and Partek Flow for identification of differentially expressed genes (DEGs) using a transcriptome of E. coli. The RNA-seq data are from the effect of below-background radiation 5.5 nGy total dose (0.2nGy/hr) on E. coli grown shielded from natural radiation 655 m below ground in a pre-World War II steel vault. The gene expression response to three supplemented sources of radiation designed to mimic natural background, 1952 – 5720 nGy in total dose (71–208 nGy/hr), are compared to this “radiation-deprived” treatment. In addition, RNA-seq data of Caenorhabditis elegans nematode from similar radiation treatments was analyzed by three of the software packages. Results: In E. coli, the four software programs identified one of the supplementary sources of radiation (KCl) to evoke about 5 times more transcribed genes than the minus-radiation treatment (69–114 differentially expressed genes, DEGs), and so the rest of the analyses used this KCl vs “Minus” comparison. After imposing a 30-read minimum cutoff, one of the DNAStar options shared two of the three steps (mapping, normalization, and statistic) with Partek Flow (they both used median of ratios to normalize and the DESeq2 statistical package), and these two programs identified the highest number of DEGs in common with each other (53). In contrast, when the programs used different approaches in each of the three steps, between 31 and 40 DEGs were found in common. Regarding the extent of expression differences, three of the four programs gave high fold-change results (15–178 fold), but one (DNAstar’s DESeq2) resulted in more conservative fold-changes (1.5–3.5). In a parallel study comparing three qPCR commercial validation software programs, these programs also gave variable results as to which genes were significantly regulated. Similarly, the C. elegans analysis showed exaggerated fold-changes in CLC and DNAstar’s edgeR while DNAstar-D was more conservative. Conclusions: Regarding the extent of expression (fold-change), and considering the subtlety of the very low level radiation treatments, in E. coli three of the four programs gave what we consider exaggerated fold-change results (15 – 178 fold), but one (DNAstar’s DESeq2) gave more realistic fold-changes (1.5–3.5). When RT-qPCR validation comparisons to transcriptome results were carried out, they supported the more conservative DNAstar-D’s expression results. When another model organism’s (nematode) response to these radiation differences was similarly analyzed, DNAstar-D also resulted in the most conservative expression patterns. Therefore, we would propose DESeq2 (“DNAstar-D”) as an appropriate software tool for differential gene expression studies for treatments expected to give subtle transcriptome responses.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Tool Use Within NASA Software Quality Assurance

As space mission software systems become larger and more complex, it is increasingly important for the software assurance effort to have the ability to effectively assess both the artifacts produced during software system development and the development process itself. Conceptually, assurance is a straightforward idea - it is the result of activities carried out by an organization independent of the software developers to better inform project management of potential technical and programmatic risks, and thus increase management's confidence in the decisions they ultimately make. In practice, effective assurance for large, complex systems often entails assessing large, complex software artifacts (e.g., requirements specifications, architectural descriptions) as well as substantial amounts of unstructured information (e.g., anomaly reports resulting from testing activities during development). In such an environment, assurance engineers can benefit greatly from appropriate tool support. In order to do so, an assurance organization will need accurate and timely information on the tool support available for various types of assurance activities. In this paper, we investigate the current use of tool support for assurance organizations within NASA, and describe on-going work at JPL for providing assurance organizations with the information about tools they need to use them effectively.

software assurance↗
NASA NTRS1999

Practical Methods for Estimating Software Systems Fault Content and Location

Over the past several years, we have developed techniques to discriminate between fault-prone software modules and those that are not, to estimate a software system's residual fault content, to identify those portions of a software system having the highest estimated number of faults, and to estimate the effects of requirements changes on software quality.

fault-prone discriminant function↗
DOE OSTI2013

Mining Software Usage with the Automatic Library Tracking Database (ALTD)

Tracking software usage is important for HPC centers, computer vendors, code developers and funding agencies to provide more efficient and targeted software support, and to forecast needs and guide HPC software effort towards the Exascale era. However, accurately tracking software usage on HPC systems has been a challenging task. In this paper, we present a tool called Automatic Library Tracking Database (ALTD) that has been developed and put in production on several Cray systems. The ALTD infrastructure prototype automatically and transparently stores information about libraries linked into an application at compilation time and also the executables launched in a batch job. We will illustrate the usage of libraries, compilers and third party software applications on a system managed by the National Institute for Computational Sciences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Challenges of and Opportunities for a Large Diverse Software Team

A large software team consisting of members with different expertise, skillsets, personalities, ethnicities, and involving collaboration on a large and complex software product presents many technical and cultural challenges, but also provides unique opportunities. In this article, we discuss the essential issues we faced when successfully transforming a collection of various independently developed software libraries into one large integrated product: the eXtreme-scale scientific Software Development Kit (xSDK). Furthermore, we argue it is just as important to pay attention to cultural challenges, such as establishment of reliable communication channels that considers, among others, differences in personalities and backgrounds as well as overcoming geographical separation and time-zone distribution when collaborating, as technical challenges. Finally, we discuss opportunities stemming from participating in a large diverse software team, such as increased internal expertise, variety of skillsets, broadened connections to external experts, and access to a larger pool of ideas or solutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A Cast of Thousands: How the IDEAS Productivity Project Has Advanced Software Productivity and Sustainability

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. Department of Energy’s Exascale Computing Project have been tackling new frontiers in modeling, simulation, and analysis by exploiting unprecedented exascale computing capabilities—building an advanced software ecosystem that supports next-generation applications and addresses disruptive changes in computer architectures. However, concerns are growing about the productivity of the developers of scientific software. Members of the Interoperable Design of Extreme-scale Application Software project serve as catalysts to address these challenges through fostering software communities, incubating and curating methodologies and resources, and disseminating knowledge to advance developer productivity and software sustainability. This article discusses how these synergistic activities are advancing scientific discovery—mitigating technical risks by building a firmer foundation for reproducible, sustainable science at all scales of computing, from laptops to clusters to exascale and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Transforming Science Through Software: Improving While Delivering 100×

The U.S. Department of Energy (DOE) Exascale Computing Project (ECP) funded the development of new (and the transformation of important existing) applications, libraries, and tools that realized improvement in performance and capabilities of often 100 times or more on emerging exascale computers. This exceptional gain inspired the title of this special issue: Transforming Science through Software: Improving while delivering 100X. The term 100X refers to advancing capabilities in modeling, simulation, and analysis by a factor of 100 or more using some combination of new algorithms, optimization techniques, software libraries, and programming models, coupled with the next generation of hardware for high-performance computing (HPC). The papers in this issue share experiences with the practice and science of scientific software development, with an emphasis on developing a coherent, portable, and sustainable HPC software ecosystem for next-generation computational science. Finally, we hope to foster expanded community efforts related to the fundamental role of sustainable scientific software ecosystems in advancing the computing sciences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Towards Software Bill of Materials in the Nuclear Industry

Large, modern industrial facilities often incorporate thousands of digital assets in their operational technology. Regulated facilities, such as nuclear power plants (NPPs), maintain robust cybersecurity and configuration management programs that often use bills of materials (BOMs) for these assets, including make, model, and version of hardware, firmware, and software. However, these BOMs typically capture only first- or second-tier information provided by the original equipment manufacturer (OEM). Unfortunately, as indicated by the increasing number and sophistication of software supply chain attacks, this level of detail is insufficient for identifying all the potential vulnerabilities and risks in software applications. Software BOMs (SBOMs) provide detailed enumeration of components and dependencies within the product or devices, including firmware. SBOMs can be combined with vulnerability data sources and vendor vulnerability attestations to improve vulnerability management and enable rapid identification of affected components when new software vulnerabilities are discovered. Ideally, SBOMs are created by the OEM prior to installation. However, since this practice is not yet commonplace and since NPPs are typically slow to adopt new technology, most NPPs do not incorporate SBOMs into their asset or configuration management programs. Fortunately, SBOMs can be generated by NPPs on existing digital assets to provide further insight into risk management decisions. This report provides an overview of the current SBOM ecosystem and recommends guidance on how to get started in a “crawl, walk, run” manner to develop and implement a sustainable SBOM program for digital assets in an NPP.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1995

Hologic QDR 2000 whole-body scans: a comparison of three combinations of scan modes and analysis software

This study reports on the short-term in vivo precision and absolute measurements of three combinations of whole-body scan modes and analysis software using a Hologic QDR 2000 dual-energy X-ray densitometer. A group of 21 normal, healthy volunteers (11 male and 10 female) were scanned six times, receiving one pencil-beam and one array whole-body scan on three occasions approximately 1 week apart. The following combinations of scan modes and analysis software were used: pencil-beam scans analyzed with Hologic's standard whole-body software (PB scans); the same pencil-beam analyzed with Hologic's newer "enhanced" software (EPB scans); and array scans analyzed with the enhanced software (EA scans). Precision values (% coefficient of variation, %CV) were calculated for whole-body and regional bone mineral content (BMC), bone mineral density (BMD), fat mass, lean mass, %fat and total mass. In general, there was no significant difference among the three scan types with respect to short-term precision of BMD and only slight differences in the precision of BMC. Precision of BMC and BMD for all three scan types was excellent: < 1% CV for whole-body values, with most regional values in the 1%-2% range. Pencil-beam scans demonstrated significantly better soft tissue precision than did array scans. Precision errors for whole-body lean mass were: 0.9% (PB), 1.1% (EPB) and 1.9% (EA). Precision errors for whole-body fat mass were: 1.7% (PB), 2.4% (EPB) and 5.6% (EA). EPB precision errors were slightly higher than PB precision errors for lean, fat and %fat measurements of all regions except the head, although these differences were significant only for the fat and % fat of the arms and legs. In addition EPB precision values exhibited greater individual variability than PB precision values. Finally, absolute values of bone and soft tissue were compared among the three combinations of scan and analysis modes. BMC, BMD, fat mass, %fat and lean mass were significantly different between PB scans and either of the EPB or EA scans. Differences were as large as 20%-25% for certain regional fat and BMD measurements. Additional work may be needed to examine the relative accuracy of the scan mode/software combinations and to identify reasons for the differences in soft tissue precision with the array whole-body scan mode.

NASA Discipline Musculoskeletal↗
NASA NTRS2004

Organizational management practices for achieving software process improvement

The crisis in developing software has been known for over thirty years. Problems that existed in developing software in the early days of computing still exist today. These problems include the delivery of low-quality products, actual development costs that exceed expected development costs, and actual development time that exceeds expected development time. Several solutions have been offered to overcome out inability to deliver high-quality software, on-time and within budget. One of these solutions involves software process improvement. However, such efforts often fail because of organizational management issues. This paper discusses business practices that organizations should follow to improve their chances of initiating and sustaining successful software process improvement efforts.

software process improvement↗
NASA NTRSDate not supplied

An Integrated Software Architecture for Solar Cruiser Mission Design and Navigation

Solar Cruiser is a solar sailing mission, riding as a secondary payload to the Interstellar Mapping and Acceleration Probe (IMAP) mission, expected to launch in February of 2025. The Solar Cruiser vehicle will generate thrust via a complex, low-thrust solar sail. The extreme low-thrust nature of the solar sail will leave Solar Cruiser highly sensitive to external environmental effects (such as solar radiation pressure and high-order gravitational perturbations) throughout the entirety of flight. Because of this, preliminary & operational optimization routines must be intricately tied to high-order predictive propagation models to ensure the greatest possible confidence in mission success. The Solar Cruiser Mission Design and Navigation (MDNav) team has designed a software tool suite, employing the latest in software containerization technology, to accomplish this task, allowing for seamless development across several users and operating systems. Combining JPL’s Monte toolkit with University of Alabama’s high-performance optimizer, ASSET, the proposed architecture allows for instant verification of optimized trajectories within the same development environment that the optimization takes place, removing the need for mission designers and navigators to switch between tools. The MDNav software suite itself is separated from the development and operational scripts to be used in flight, which allows for maintaining a low-footprint version control profile – thus avoiding unnecessary file bloating. This paper discusses the historical differences between previous iterations of the Solar Cruiser MDNav tool suite and the current iteration, planned operational interfaces of the tool with other software and subsystems, and the planned path forward in maintaining containerization services for the software throughout the lifetime of Solar Cruiser.

solar cruiser↗
NASA NTRS2023

Utilizing Code Generation from Models for Electric Aircraft Motor Controller Flight Software

The processes followed to develop and test safety-critical flight software significantly increase development effort and overhead in comparison to both non-safety-critical and non-flight software. Generating code from models can be used to reduce development effort; however, the processes for using code generation to develop flight software are relatively immature. This work presents an approach for developing safety-critical flight software utilizing code generation from models to reduce development time and effort. The presented use-case is of electric aircraft motor control software developed for NASA's X-57 Maxwell aircraft.

flight software↗
DOE OSTI2022

An Application of a Modified Beta Factor Method for the Analysis of Software Common Cause Failures

This paper presents an approach for modeling software common cause failures (CCFs) within digital instrumentation and control (I&C) systems. CCFs consist of a concurrent failure between two or more components due to a shared failure cause and coupling mechanism. This work emphasizes the importance of identifying software-centric attributes related to the coupling mechanisms necessary for simultaneous failures of redundant software components. The groups of components that share coupling mechanisms are called common cause component groups (CCCGs). Most CCF models rely on operational data as the basis for establishing CCCG parameters and predicting CCFs. This work is motivated by two primary concerns: (1) a lack of operational and CCF data for estimating software CCF model parameters; and (2) the need to model single components as part of multiple CCCGs simultaneously. A hybrid approach was developed to account for these concerns by leveraging existing techniques: a modified beta factor model allows single components to be placed within multiple CCCGs, while a second technique provides software-specific model parameters for each CCCG. This hybrid approach provides a means to overcome the limitations of conventional methods while offering support for design decisions under the limited data scenario.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Analyzing Hardware and Software Common Cause Failures in Digital Instrumentation and Control Systems using Dual Error Propagation Method

This paper develops a methodology for quantifying software common cause failures (CCFs) in digital instrumentation and control (I&C) systems of nuclear power plants. To support the transition of analog I&C systems to digital in nuclear power plants, probabilistic risk assessment (PRA) techniques are used. The hardware components of the I&C systems have reliability databases that can be used in the PRA studies. However, the failure data for redundant software components of the systems is sparse. Failure of components constitutes a CCF, wherein two or more components or systems fail due to a single shared cause and coupling mechanism. This paper proposes a quantification approach that can simultaneously model hardware and software components, incorporate the CCFs of software systems in the models, and bridge the gap between the failure quantification of models and the development of CCF parametric databases. We demonstrate the dual error propagation method (DEPM) by developing I&C systems failure models for a representative digital reactor trip system. The DEPM models are built to simulate the control and data flows within the systems and can accommodate failure states. By expanding DEPM to software CCFs, we generated alpha factor parameter estimates for each of the modeled error propagation mechanisms.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Leveraging AI for Productive and Trustworthy HPC Software: Challenges and Research Directions

We discuss the challenges and propose research directions for using AI to revolutionize the development of high-performance computing (HPC) software. AI technologies, in particular large language models, have transformed every aspect of software development. For its part, HPC software is recognized as a highly specialized scientific field of its own. We discuss the challenges associated with leveraging state-of-the-art AI technologies to develop such a unique and niche class of software and outline our research directions in the two US Department of Energy–funded projects for advancing HPC Software via AI: Ellora and Durban.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗