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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 307 records · Page 17

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Initializing BSQ with Open-Source ICCING

While it is well known that there is a significant amount of conserved charges in the initial state of nuclear collisions, the production of these due to gluon splitting has yet to be thoroughly investigated. The ICCING (Initial Conserved Charges in Nuclear Geometry) algorithm reconstructs these quark distributions, providing conserved strange, baryon, and electric charges, by sampling a given model for the g → qq¯ splitting function over the initial energy density, which is valid at top collider energies, even when µB = 0. The ICCING algorithm includes fluctuations in the gluon longitudinal momenta, a structure that supports the implementation of dynamical processes, and the c++ version is now open-source. A full analysis of parameter choices on the model has been done to quantify the effect these have on the underlying physics. We find there is a sustained difference across the different charges that indicates sensitivity to hot spot geometry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Hydrogenerate: Open Source Python Tool To Estimate Hydropower Generation Time-series

Hydropower is one of the most mature forms of renewable energy generation. The United States (US) has almost 103 GW of installed, with 80 GW of conventional generation and 23 GW of pumped hydropower [1]. Moreover, the potential for future development on Non-Powered Dams is up to 10 GW. With the US setting its goals to become carbon neutral [2], more renewable energy in the form of hydropower needs to be integrated with the grid. Currently, there are no publicly available tool that can estimate the hydropower potential for existing hydropower dams or other non-powered dams. The HydroGenerate is an open-source python library that has the capability of estimating hydropower generation based on flow rate either provided by the user or received from United States Geological Survey (USGS) water data services. The tool calculates the efficiency as a function of flow based on the turbine type either selected by the user or estimated based on the “head” provided by the user.

Mitra, Bhaskar↗

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↗

DOE OSTI2024

The Integration and Mapping of an Open-Source National Well Resource to Inform Geologic Carbon Storage Site Selection and Risk Prevention: The CO2-Locate Database

Geologic carbon storage (GCS) offers a way to capture and permanently store CO₂ from fossil fuel operations in underground geologic structures, aiding in the transition to a carbon-neutral energy economy. However, CO₂ injection sites can experience gas leakage through existing wells that penetrate storage reservoirs, making knowledge of well locations and characteristics crucial for permitting, infrastructure reusability, and risk assessment in GCS. Currently, public wellbore data from state, federal, and tribal entities are inconsistent and fragmented, with gaps and redundancies. To address this, the National Energy Technology Laboratory (NETL) developed CO2-Locate, an open-source, geospatial database and online application. CO2-Locate integrates over 50 data sources from federal, state, and tribal entities, creating a standardized national well database. Funded by the Bipartisan Infrastructure Law, the database is publicly available through the Energy Data eXchange (EDX) and viewable via the CO2-Locate web mapping application. This tool allows users to query, filter, and visualize well data to support GCS planning, permitting, and risk assessments. This presentation covers the methods used to create CO2-Locate, including data acquisition, processing, attribute mapping, and integration, much of which is automated for future updates. The web mapping application and its role in GCS site selection will also be discussed.

Tetteh, Daniel A.↗

DOE OSTI2024

QSpace - An open-source tensor library for Abelian and non-Abelian symmetries

This is the documentation for the tensor library QSpace (v4.0), a toolbox to exploit ‘quan tum symmetry spaces’ in tensor network states in the quantum many-body context. QSpace permits arbitrary combinations of symmetries including the abelian symmetries $\mathbb{Z}_n$ and U(1), as well as all non-abelian symmetries based on the semisimple classical Lie algebras: A n , B n , C n , and D n , or respectively, the special unitary group SU(n), the odd orthogonal group SO(2n+1), the symplectic group Sp(2n), and the even orthogonal group SO(2n). The code (C++ embedded via the MEX interface into Matlab) is available open source as of QSpace v4.0 on bitbucket under the Apache 2.0 license. QSpace is designed as a bottom-up approach for non-abelian symmetries. It starts from the defining representation and the respective Lie algebra. By explicitly comput ing and tabulating generalized Clebsch-Gordan coefficient tensors, QSpace is versatile in the type of operations that it can perform across all symmetries. At the level of an ap plication, much of the symmetry-related details are hidden within the QSpace C++ core libraries. Hence when developing tensor network algorithms with QSpace, these can be coded (nearly) as if there are no symmetries at all, despite being able to fully exploit general non-abelian symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

One Million Open-source Cislunar Orbits

Cislunar space, encompassing the region from geosynchronous orbit to beyond the Moon, is poised to become a cornerstone for future exploration, scientific discovery, and national security. Missions in this region, spanning durations from weeks to decades, require robust infrastructure and reliable transit capabilities. The complex gravitational influences of the Moon, Sun, and planets, along with thermal radiation from Earth and the Sun, lead to significant trajectory deviations, resulting in kilometer-scale errors within days. Leveraging the high-performance computing resources at Lawrence Livermore National Laboratory (LLNL), we have simulated one million high-fidelity cislunar trajectories, now publicly available via LLNL’s Green Data Oasis and the Unified Data Library. Generated using the open-source Space Situational Awareness Python package, these trajectories match the precision of commercial tools such as AGI’s Systems Tool Kit and NASA’s General Mission Analysis Tool. This data set is a valuable resource for reference, statistical analysis of cislunar orbit populations, and training machine learning models for rapid orbit classification with minimal observational input. Preliminary analysis reveals stable bands in Keplerian element space, particularly around five geosynchronous radii across a range of inclinations and eccentricities. Beyond this threshold, the Moon’s influence disrupts most unassisted orbits, though co-orbiting L4/L5 Lunar Trojans persist throughout the six-year simulation.

Astronomy and AstroPhysics↗

DOE OSTI2025

FreeMHD: Validation and verification of the open-source, multi-domain, multi-phase solver for electrically conductive flows

The extreme heat fluxes in the divertor region of tokamaks may require an alternative to solid plasma-facing components, for the extraction of heat and the protection of the surrounding walls. Flowing liquid metals are proposed as an alternative, but raise additional challenges that require investigation and numerical simulations. Free surface designs are desirable for plasma-facing components, but steady flow profiles and surface stability must be ensured to limit undesirable interactions with the plasma. Previous studies have mainly used steady-state, 2D, or simplified models for internal flows and have not been able to adequately model free-surface liquid metal (LM) experiments. Therefore, FreeMHD has been recently developed as an open-source magnetohydrodynamics (MHD) solver for free-surface electrically conductive flows subject to a strong external magnetic field. The FreeMHD solver computes incompressible free-surface flows with multi-region coupling for the investigation of MHD phenomena involving fluid and solid domains. The model utilizes the finite-volume OpenFOAM framework under the low magnetic Reynolds number approximation. FreeMHD is validated using analytical solutions for the velocity profiles of closed channel flows with various Hartmann numbers and wall conductance ratios. Next, experimental measurements are then used to verify FreeMHD, through a series of cases involving dam breaking, 3D magnetic fields, and free-surface LM flows. These results demonstrate that FreeMHD is a reliable tool for the design of LM systems under free surface conditions at the reactor scale. Furthermore, it is flexible, computationally inexpensive, and can be used to solve fully 3D transient MHD flows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

\texttt{qec\_code\_sim}: An open-source Python framework for estimating the effectiveness of quantum-error correcting codes on superconducting qubits

Quantum computers are highly susceptible to errors due to unintended interactions with their environment. It is crucial to correct these errors without gaining information about the quantum state, which would result in its destruction through back-action. Quantum Error Correction (QEC) provides information about occurred errors without compromising the quantum state of the system. However, the implementation of QEC has proven to be challenging due to the current performance levels of qubits -- break-even requires fabrication and operation quality that is beyond the state-of-the-art. Understanding how qubit performance factors into the success of a QEC code is a valuable exercise for tracking progress towards fault-tolerant quantum computing. Here we present \texttt{qec\_code\_sim}, an open-source, lightweight Python framework for studying the performance of small quantum error correcting codes under the influence of a realistic error model appropriate for superconducting transmon qubits, with the goal of enabling useful hardware studies and experiments. \texttt{qec\_code\_sim} requires minimal software dependencies and prioritizes ease of use, ease of change, and pedagogy over execution speed. As such, it is a tool well-suited to small teams studying systems on the order of one dozen qubits.

Lopez, Santiago↗

DOE OSTI2020

URBANopt: An Open-Source Software Development Kit for Community and Urban District Energy Modeling: Preprint

Urban building modeling tools are developing rapidly; these tools use emerging simulation workflows for specific urban environmental design tasks, such as assessing the impacts of energy efficiency technologies at a district scale. However, with the emergence of new environmental design tasks, addressing all possible use cases and tasks is challenging and cannot be covered by a single tool. Urban-scale analysis at this level of complexity often requires linking multiple emerging tools, rather than using a single tool, to adequately evaluate a variety of possible fields in urban environmental design. To achieve this, flexible platforms are needed to support multiple input formats (e.g., geometric and non-geometric building properties), enabling the mapping of such inputs to underlying simulation engines. This paper provides an overview of the open-source URBANopt Software Development Kit (SDK) for modeling high-performance buildings and energy systems at a district scale. URBANopt's flexible SDK is composed of several modules that can be customized to integrate with other tools and generate new workflows to perform urban environmental design tasks, such as capturing interactions between individual buildings, district energy systems, distributed energy resources, and the electric distribution grid. We describe the functionality of the core SDK modules in URBANopt (called Core Gem, GeoJSON Gem, and Scenario Gem) and discuss the flexibility of these modules as a means of integration with a variety of tools. We also document and demonstrate technical details of writing and combining new modules to create customized workflows. Finally, we present a case study that uses the URBANopt SDK to model a hypothetical mixed-use urban project and simulate various scenarios to meet district energy performance goals.

buildings↗

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

Data management↗

DOE OSTI2024

DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool

In this paper, we report the creation of a graphical user interface (GUI) for the Data Extraction for Integrated Multidimensional Spectrometry (DEIMoS) tool. DEIMoS is a Python package to process data from high-dimensional mass spectrometry measurements. It is divided into several modules, each representing a data processing step, such as peak detection, alignment, and tandem mass spectra extraction and deconvolution. The inputs for and outputs from DEIMoS can include millions of N-dimensional data points, which can be challenging to visualize in a way that is interactive, informative, and responsive. Here, we used the HoloViz Python data stack, including DataShader and Param, to create an interactive visualization of mass spectrometry data. We believe the GUI will increase the accessibility of DEIMoS, and the visualization methods could be useful for other open-source mass spectrometry tools.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

An open-source data storage and visualization platform for collaborative qubit control

Developing collaborative research platforms for quantum bit control is crucial for driving innovation in the field, as they enable the exchange of ideas, data, and implementation to achieve more impactful outcomes. Furthermore, considering the high costs associated with quantum experimental setups, collaborative environments are vital for maximizing resource utilization efficiently. However, the lack of dedicated data management platforms presents a significant obstacle to progress, highlighting the necessity for essential assistive tools tailored for this purpose. Current qubit control systems are unable to handle complicated management of extensive calibration data and do not support effectively visualizing intricate quantum experiment outcomes. In this paper, we introduce Qubit Control Storage and Visualization ( QubiCSV ), a platform specifically designed to meet the demands of quantum computing research, focusing on the storage and analysis of calibration and characterization data in qubit control systems. As an open-source tool, QubiCSV facilitates efficient data management of quantum computing, providing data versioning capabilities for data storage and allowing researchers and programmers to interact with qubits in real time. The insightful visualization are developed to interpret complex quantum experiments and optimize qubit performance. QubiCSV not only streamlines the handling of qubit control system data but also improves the user experience with intuitive visualization features, making it a valuable asset for researchers in the quantum computing domain.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

The MolSSI QCArchive project: An open-source platform to compute, organize, and share quantum chemistry data

The Molecular Sciences Software Institute's (MolSSI) Quantum Chemistry Archive (QCArchive) project is an umbrella name that covers both a central server hosted by MolSSI for community data and the Python-based software infrastructure that powers automated computation and storage of quantum chemistry (QC) results. The MolSSI-hosted central server provides the computational molecular sciences community a location to freely access tens of millions of QC computations for machine learning, methodology assessment, force-field fitting, and more through a Python interface. Facile, user-friendly mining of the centrally archived quantum chemical data also can be achieved through web applications found at the website. The software infrastructure can be used as a standalone platform to compute, structure, and distribute hundreds of millions of QC computations for individuals or groups of researchers at any scale. The QCArchiveInfrastructure is open-source (BSD-3C), code repositories can be found at github, and releases can be downloaded via PyPI and Conda. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Software > Quantum Chemistry Data Science > Computer Algorithms and Programming

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

An open source knowledge graph ecosystem for the life sciences

Translational research requires data at multiple scales of biological organization. Advancements in sequencing and multi-omics technologies have increased the availability of these data, but researchers face significant integration challenges. Knowledge graphs (KGs) are used to model complex phenomena, and methods exist to construct them automatically. However, tackling complex biomedical integration problems requires flexibility in the way knowledge is modeled. Moreover, existing KG construction methods provide robust tooling at the cost of fixed or limited choices among knowledge representation models. PheKnowLator (Phenotype Knowledge Translator) is a semantic ecosystem for automating the FAIR (Findable, Accessible, Interoperable, and Reusable) construction of ontologically grounded KGs with fully customizable knowledge representation. The ecosystem includes KG construction resources (e.g., data preparation APIs), analysis tools (e.g., SPARQL endpoint resources and abstraction algorithms), and benchmarks (e.g., prebuilt KGs). We evaluated the ecosystem by systematically comparing it to existing open-source KG construction methods and by analyzing its computational performance when used to construct 12 different large-scale KGs. With flexible knowledge representation, PheKnowLator enables fully customizable KGs without compromising performance or usability.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

NASA NTRS2022

VESIcal: A Critical Approach to Volatile Solubility Modelling Using the Open-Source Engine Vesical

Accurate models of H(2)O and CO(2) solubility in silicate melts are vital for understanding volcanic plumbing systems. These models are used to estimate the depths of magma storage regions from melt inclusion volatile contents, investigate the role of volatile exsolution as a driver of volcanic eruptions, and track the degassing path followed by a magma ascending to the surface. However, despite the large increase in the number of experimental constraints over the last two decades, many recent studies still utilize an earlier generation of models which were calibrated on experimental datasets with restricted compositional ranges. This may be because many of the available tools for more recent models require large numbers of input parameters to be hand-typed (e.g., temperature, concentrations of H(2)O, CO(2), and 8–14 oxides), making them difficult to implement on large datasets. Here, we use a new open-source Python3 tool, VESIcal, to critically evaluate the behaviors and sensitivities of different solubility models for a range of melt compositions. Using literature datasets of andesitic-dacitic experimental products and melt inclusions as case studies, we illustrate the importance of evaluating the calibration dataset of each model. Finally, we highlight the limitations of particular data presentation methods, such as isobar diagrams, and provide suggestions for alternatives, and best practices regarding the presentation and archiving of data. This review will aid the selection of the most applicable solubility model for different melt compositions, and identifies areas where additional experimental constraints on volatile solubility are required.

magma↗

DOE OSTI2023

pyEGAF: An open-source Python library for the Evaluated Gamma-ray Activation File

The Evaluated Gamma-ray Activation File (EGAF) is one of the most comprehensive resources for thermal neutron-capture data. This database contains data from prompt gamma activation analysis measurements carried out in a consistent manner using the same experimental configuration at the Budapest Research Reactor for 245 isotopes. Although these valuable datasets have been freely available for many years, one of the drawbacks is the outdated and cryptic Evaluated Nuclear Structure Data File (ENSDF) format that is currently adopted for dissemination, making it difficult for users unfamiliar with the format to access and utilize the data contained therein. Furthermore, the ENSDF format does not readily lend itself to modern computational technologies and a parser is required to interpret the complicated mixed-record format. To help overcome these challenges, we have developed a translator to convert the ENSDF-formatted datasets into an open standard JavaScript Object Notation (JSON) format enabling accessibility to applications using different programming languages running in different environments. To compliment this effort, we have also developed an open-source software package implemented in Python, pyEGAF, that is designed to interact with the JSON data structures for general purpose access, manipulation, and analysis of the neutron-capture $\gamma$-ray data in EGAF. The new format, together with the pyEGAF library, greatly enhances access to the wider applications community where EGAF data may be useful or is required.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Toward Wireless Smart Grid Communications: An Evaluation of Protocol Latencies in an Open-Source 5G Testbed

Fifth-generation networks promise wide availability of wireless communication with inherent security features. The 5G standards also outline access for different applications requiring low latency, machine-to-machine communication, or mobile broadband. These networks can be advantageous to numerous applications that require widespread and diverse communications. One such application is found in smart grids. Smart grid networks, and Operational Technology (OT) networks in general, utilize a variety of communication protocols for low-latency control, data monitoring, and reporting at every level. Transitioning these network communications from wired Wide Area Networks (WANs) to wireless communication through 5G can provide additional benefits to their security and network configurability. However, introducing these wireless capabilities may also result in a degradation of network latency. In this paper, we propose utilizing 5G for smart grid communications, and we evaluate the latency impacts of encapsulating GOOSE, Modbus, and DNP3 for transmission over a 5G network. The OpenAirInterface open-source library is utilized to deploy an in-lab 5G Core Network and gNB for testing with off-the-shelf User Equipment (UE). This creates an effective 5G test platform for experimenting with different OT protocols such as GOOSE. The results are validated by measuring two different Intelligent Electronic Devices’ contact closure times for each network configuration. These tests are also conducted for varying packet sizes in order to isolate different sources of network latency. Our study outlines the latency impact of communication over 5G for time-critical and non-critical applications regarding their transition toward private 5G-based OT network implementations. The conducted experiments illustrate that in the case of GOOSE packets, simple encapsulation may exceed the protocol’s time-critical nature, and, therefore, additional measures must be taken to ensure a viable transition of GOOSE to 5G services. However, non-critical applications are shown to be viable for migration to 5G.

42 ENGINEERING↗