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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Towards Streamlining Auditing for Compliance With Requirements in Open-Source Software at NASA

Context: NASA requires all software to meet several requirements (NPR 7150.2) depending on software criticality. The instantiation of these requirements may vary per project; however, once decided upon, projects must undergo audits to evaluate compliance with these requirements. Aim: We propose that audit effort can be reduced when requirements are realized by leveraging commonly used open-source infrastructure for version control, issue tracking and continuous integration, and the generated records are analyzed using a repository mining software tool to quantify process compliance. Method: We perform a case study in the NASA-funded Copilot project, utilizing Kaiaulu, a repository mining software tool. We define four software compliance metrics based on the Copilot’s requirements, and analyze their impact on source code quality. Results: Our work demonstrates how it is possible to leverage existing open source tools and platforms to facilitate software certification and qualification, and to streamline the auditing process required even when stringent requirements must be enforced. Conclusion: Together, both project and tool can be utilized to visualize project compliance, and metrics can be defined to more easily identify process irregularities to minimize auditing efforts. Project Repository: github.com/Copilot-Language/copilot Tool Repository: github.com/sailuh/kaiaulu

code-quality↗
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 OSTI2020

MASTODON: An Open-Source Software for Seismic Analysis and Risk Assessment of Critical Infrastructure

Seismic analysis and risk assessment of safety-critical infrastructure like hospitals, nuclear power plants, dams, and facilities handling radioactive materials involve computationally intensive numerical models and coupled multiphysics scenarios. They are also performed in a strict regulatory environment that requires high software quality assurance standards, and in the case of safety-related nuclear facilities, a conformance to the American Society of Mechanical Engineers Nuclear Quality Assurance (NQA-1) standard. This paper introduces the open-source finite-element software, MASTODON (Multi-hazard Analysis of Stochastic Time-Domain Phenomena), which implements state-of-the-art seismic analysis and risk assessment tools in a quality-controlled environment. MASTODON is built on MOOSE (Multi-physics Object-Oriented Simulation Environment), which is a highly parallelizable, NQA-1 conforming, coupled multiphysics, finite-element framework developed at Idaho National Laboratory. MASTODON is capable of fault rupture and source-to-site wave propagation using the domain reduction method, nonlinear site response, and soil-structure interaction analysis, implicit and explicit time integration, automated stochastic simulations, and seismic probabilistic risk assessment. When coupled with other MOOSE applications, MASTODON can also solve strongly and weakly coupled multiphysics problems. This paper presents a summary of the capabilities of MASTODON and some demonstrative examples.

42 ENGINEERING↗
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 OSTI2026

Lessons Learned from Open-Source Software Training Toward Expanding the Fusion Workforce

Within the United States (U.S.), the Fusion Innovation Research Engine (FIRE) Collaboratives seek to accelerate fusion technology development through wide-ranging community-driven research activities that bring together industry, laboratories, research institutes, and academia. Increasing the maturity of key components and systems for future fusion power plants (FPPs) toward commercialization, will, by necessity, increase the need for knowledgeable engineers, designers, and researchers in industry capable of integrating and further improving these technologies within industry FPP concepts. Further, various modeling and simulation packages support these programs and are under-development within them to drive design iteration and the development of FPP digital twins. To derive the greatest benefit from model output and capabilities, training these same specialists will be vital. Thus, the development of effective and accessible software onboarding and professional development opportunities focused on fusion will be key to keeping the pace of growth high in the coming decade and beyond. A similar need exists within the advanced fission reactor community, driven by an ever-growing need for carbon-free baseload power for industrial and data center applications. Within the U.S. and around the world, several open-source packages and frameworks exist to support this endeavor, and two we will highlight here are the Multiphysics Object Oriented Simulation Environment (MOOSE) framework and OpenMC. These packages, notably, are also being utilized in the FIRE Collaboratives program. In this presentation, we will highlight the lessons learned from over 30 years of combined software development and training experience, focused on developing strong technical software foundations within the nuclear workforce, from students to professional engineers & scientists. We will connect this experience to present and emerging needs in the fusion energy community, and, finally, will outline possible paths forward to develop a large, robust, global fusion workforce.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Experimental Data Curation at Large Instrument Facilities with Open Source Software

The National Synchrotron Light Source II operating at Brookhaven National Laboratory since 2014 for the US Department of Energy is one of the newest and brightest storage-ring synchrotron facility in the world. NSLS-II, like other facilities, provides pre-processing of the raw data and some analysis capabilities to its users. We describe the research collaborations and open source infrastructure developed at large instrument facilities such as NSLS-II for the purpose of curating high value scientific data along the early stages of the data lifecycle. Data acquisition and curation tasks include storing experiment configuration, detector metadata, raw data acquisition with infrastructure that converts proprietary instrument formats to industry standards. In addition, we describe a specific effort for discovering sample information at NSLS-II and tracing the provenance of analysis performed on acquired images. We show that curation tasks must be embedded into software along the data life cycle for effectiveness and ease of use, and that loosely defined collaborations evolve around shared open source tools. Finally we discuss best practices for experimental metadata capture in such facilities, data access and the new challenges of scale and complexity posed by AI-based discovery for the synthesis of new materials.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS2018

The CEOS Data Cube Portal: A User-Friendly, Open Source Software Solution for the Distribution, Exploration, Analysis, and Visualization of Analysis Ready Data

There is an urgent need to increase the capacity of developing countries to take part in the study and monitoring of their environments through remote sensing and space-based Earth observation technologies. The Open Data Cube (ODC) provides a mechanism for efficient storage and a powerful framework for processing and analyzing satellite data. While this is ideal for scientific research, the expansive feature space can also be daunting for end-users and decision-makers who simply require a solution which provides easy exploration, analysis, and visualization of Analysis Ready Data (ARD). Utilizing innovative web-design and a modular architecture, the Committee on Earth Observation Satellites (CEOS) has created a web-based user interface (UI) which harnesses the power of the ODC yet provides a simple and familiar user experience: the CEOS Data Cube (CDC). This paper presents an overview of the CDC architecture and the salient features of the UI. In order to provide adaptability, flexibility, scalability, and robustness, we leverage widely-adopted and well-supported technologies such as the Django web framework and the AWS Cloud platform. The fully-customizable source code of the UI is available at our public repository. Interested parties can download the source and build their own UIs. The UI empowers users by providing features that assist with streamlining data preparation, data processing, data visualization, and sub-setting ARD products in order to achieve a wide variety of Earth imaging objectives through an easy to use web interface.

User Interface↗
NASA NTRSDate not supplied

Big-data Efficient and Automated Science Transfer (BEAST): An Open-Source Software Architecture for Arc Jet Data Management, Modeling, and Automation

Big-data Efficient and Automated Science Transfer (BEAST) is a facility data management application developed for the NASA Ames arc jet facilities. The current decentralized data management practices limit statistical tracking, synchronization between video/time series, search capability, data throughput, and data processing speed/efficiency. Consequently, BEAST was developed to provide a new data infrastructure with streamlined data collection, processing, transfer, and analysis. This new framework also seeks to implement the FAIR principles of data stewardship: Findable, Accessible, Interoperable, and Reusable. The BEAST framework is based on a combination of the Python Django web framework and the Python data stack to provide a monolithic, open-source platform for data management, automation, and machine learning. This architecture was chosen for maintainability and scalability for a small, in-house development team. This paper will describe the application framework, deployment, and discuss the benefits and future plans for the system.

Data management↗
NASA NTRSDate not supplied

Big-data Efficient and Automated Science Transfer (BEAST): An Open-Source Software Architecture for Arc Jet Data Management, Modeling, and Automation

Big-data Efficient and Automated Science Transfer (BEAST) was conceived to address the existing ground testing data management of the NASA Ames arc jet facilities (e.g., manually entered Excel files and USB drive data transfers). These data management practices were seen as a choke point for future thermal protection system (TPS) development as they limit statistical tracking, resolution of diagnostics, coordination between video/time series, data throughput, and data processing speed/efficiency. Consequently, BEAST was developed to provide a new data infrastructure with streamlined data collection, processing, transfer, and analysis. This new framework also seeks to implement the FAIR principles of data stewardship: Findable, Accessible, Interoperable, and Reusable. The BEAST framework is based on a combination of the Python Django web framework and the Python data stack to provide a monolithic, open-source platform for data management, automation, and machine learning. This architecture was chosen for maintainability and scalability for a small, in-house development team. This paper will describe the application framework, deployment, and discuss the benefits and future plans for the system.

Data management↗
NASA NTRSDate not supplied

Big-data Efficient Automated Science Transfer (BEAST): an open-source software architecture for arc jet data management, modeling, and automation

Big-data Efficient and Automated Science Transfer (BEAST) was conceived to address the existing ground testing data management of the NASA Ames arc jet facilities (e.g., manually entered Excel files and USB drive data transfers). These data management practices were seen as a choke point for future thermal protection system (TPS) development as they limit statistical tracking, resolution of diagnostics, coordination between video/time series, data throughput, and data processing speed/efficiency. Consequently, BEAST was developed to provide a new data infrastructure with streamlined data collection, processing, transfer, and analysis. This new framework also seeks to implement the FAIR principles of data stewardship: Findable, Accessible, Interoperable, and Reusable. The BEAST framework is based on a combination of the Python Django web framework and the Python data stack to provide a monolithic, open-source platform for data management, automation, and machine learning. This architecture was chosen for maintainability and scalability for a small, in-house development team. This paper will describe the application framework, deployment, and discuss the benefits and future plans for the system.

Data management↗
DOE OSTI2017

XDesign : An open-source software package for designing X-ray imaging phantoms and experiments

Here, the development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

geoPFA: A Python-Based Open-Source Software for 3D Geothermal PFA

This work presents a novel Python-based framework, geoPFA, for conducting 3D play fairway analysis (PFA) tailored to superhot geothermal systems. The workflow has been applied to the Nesjavellir field in Iceland, a candidate site for the third Iceland Deep Drilling Project's superhot production scenarios. This application demonstrates the value of modular, transparent, and extensible workflows for integrating geological, geophysical, and simulation-derived datasets in high-enthalpy environments. Preliminary results indicate favorable zones consistent with known hydrothermal activity. The geoPFA library will soon be publicly available, offering a scalable and reproducible approach to geothermal exploration across varied geological contexts.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

IsoMatchMS : Open-Source Software for Automated Annotation and Visualization of High Resolution MALDI-MS Spectra

Due to its speed, accuracy, and adaptability to various sample types, matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) has become a popular method to identify molecular isotope profiles from biological samples. Often MALDI-MS data do not include tandem MS fragmentation data, and thus the identification of compounds in samples requires external databases so that the accurate mass of detected signals can be matched to known molecular compounds. Most relevant MALDI-MS software tools developed to confirm compound identifications are focused on small molecules (e.g., metabolites, lipids) and cannot be easily adapted to protein data due to their more complex isotopic distributions. Here, we present an R package called IsoMatchMS for the automated annotation of MALDI-MS data for multiple datatypes: intact proteins, peptides, and glycans. This tool accepts already derived molecular formulas or, for proteomics applications, can derive molecular formulas from a list of input peptides or proteins including proteins with post-translational modifications. In conclusion, visualization of all matched isotopic profiles is provided in a highly accessible HTML format called a trelliscope display, which allows users to filter and sort by several parameters such as match scores and the number of peaks matched. IsoMatchMS simplifies the annotation and visualization of MALDI-MS data for downstream analyses.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Author Correction: Informed-Proteomics: open-source software package for top-down proteomics

Correction to: Nature Methods 14, 909–914, https://doi.org/10.1038/nmeth.4388 (2017), published online 7 August 2017. In the version of this article initially published, the authors erroneously reported the search mode that was used for ProSightPC 3.0 in the Online Methods and in Supplementary Table 3. The results presented in Fig. 5 were obtained with ‘absolute mass’ search mode, not ‘biomarker discovery’ search mode. The ‘biomarker discovery’ search mode of ProSightPC 3.0 looks for subsequences of those contained in the annotated proteoform database (e.g., truncated forms from degradation and/or cleavage). This search mode is expected to generate similar numbers of identifications as Informed-Proteomics, but is also expected to take dramatically longer (~480 CPU hours). Unfortunately, because of these heavy computational requirements, the authors were unable to complete an analysis using this search mode. They chose to use ‘absolute mass’ mode to illustrate the effect of search mode and database choice on the results. ‘Absolute mass’ mode is the most restrictive of the search modes illustrated in Fig. 5, as it searches only for proteoforms explicitly listed in the proteoform database within a user-defined mass tolerance. In addition, in the supplementary information originally published online, Supplementary Table 3 incorrectly stated that ProSightPC v3.0 was used in ‘biomarker discovery’ mode. ‘Absolute mass’ mode was the mode actually used in this comparison. These errors have been corrected in the HTML and PDF versions of this article and in the associated supplementary information.

Park, Jungkap↗
DOE OSTI2021

CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials

In this paper, we present CTRAMER (Charge-Transfer RAtes from Molecular dynamics, Electronic structure, and Rate theory)—an opensource software package for calculating interfacial charge-transfer (CT) rate constants in organic photovoltaic (OPV) materials based on ab initio calculations and molecular dynamics simulations. The software is based on identifying representative donor/acceptor geometries within interfacial structures obtained from molecular dynamics simulation of donor/acceptor blends and calculating the corresponding Fermi’s golden rule CT rate constants within the framework of the linearized-semiclassical approximation. While the methods used are well established, the integration of these state-of-the-art tools originating from different disciplines to study photoinduced CT processes with explicit treatment of the environment, in our opinion, makes this package unique and innovative. The software also provides tools for investigating other observables of interest. After outlining the features and implementation details, the usage and performance of the software are demonstrated with results from an example OPV system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗