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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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52 records · Page 3

Use of Kerma for Subzone Dimension Specification in Monte Carlo Based Photon Energy Deposition Calculations

A technique using the photon kerma cross section for a material in combination with the number fraction from a photon energy spectrum has been developed to determine the estimated subzone dimension needed to provide an energy deposition profile in radiation transport calculations. The technique was verified using the ITS code for monoenergetic photon sources and a selection of photon spectra. A Python script was written to use the CEPXS cross-section file with a Rapture calculated transmission spectrum to provide the dimensional estimates in a rapid fashion. The script is available for SNL users through the corporate gitlab server.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Concrete Compositions Used in Neutronics Analyses for Design of the Second Target Station Project

The purpose of this letter is to document the concrete compositions used by the Second Target Station (STS) Project Neutronics Group. Members of the Neutronics Group all have access to these compositions in our MCNP Master Model, which is stored on the ORNL GitLab server. It is expected that all STS Neutronics staff members will use these compositions in their analyses, unless all stakeholders agree to an exception. It is impossible to know the detailed composition of concrete before its constituents have been purchased, mixed, and a chemical analysis performed. Therefore, the STS Neutronics Group decided to use the same concrete compositions used by the Neutronics Group at the First Target Station (FTS). Furthermore, this leads to consistency between the analyses performed by the FTS and STS Neutronics Groups. The most important parameter to match between design simulations and construction regarding these concrete compositions is the density. Next in importance is the fraction of iron and hydrogen in the mixture.

43 PARTICLE ACCELERATORS↗

Fiscal Year 2025 Software Quality Assurance Activities for the ARC Software

The continued goal of the ARC SQA project in the Advanced Reactor Technologies program of DOE is to resolve the QA gaps for the ARC software that limit, or prevent, commercialization of the software for industry users. This project started in earnest in fiscal year 2023 which saw the entire code system moved from a SVN repository to a GitLab repository and an associated software quality assurance plan (SQAP) developed and ratified. Most of the QA gaps in the ARC software were identified in collaboration with industry partners and work begin in fiscal year 2023 and continued through 2024 and 2025. The continuous integration testing was extended to RCT, DASSH, and SE2ANL. Minor changes were required to the original continuous integration methodology to make this happen. When full confidence in the methodology is complete, a report will be created to detail the automated regression testing methodology and minor reports will be created to detail the tolerance settings that have been applied to the output for each ARC code. The primary documentation that is missing includes user manuals, user guides, software verification reports, and code coverage assessments. The DASSH, SE2ANL, and SE2RCT manuals were completed this fiscal year. A review of the SE2ANL software identified that it is unrealistic to include updated correlations or different geometry models and it was scheduled for deprecation in favor of DASSH. The SE2ANL manual is essential for SE2RCT as they are similar but quite different in purpose. The only piece of software missing a manual consistent with the source code is NUBOW-3D which is a focus of the coming year. The code coverage report for DIF3D was updated and code coverage reports were created for REBUS, RCT, PERSENT, GAMSRC, and DASSH. Minor coverage issues were identified for all of these pieces of software which did not prevent the work done to transition them to the OneAPI compiler. Because SE2ANL was scheduled for deprecation, it was not transitioned, but it was successfully tested with the OneAPI compiler. This leaves SE2RCT and NUBOW-3D as the only pieces of software not transitioned to OneAPI and further work is required to get SE2RCT to work properly. The SE2RCT software transition will begin early next year while the NUBOW-3D software requires a manual before it can begin. Software verification work has been completed for DIF3D, REBUS, GAMSOR, GAMSRC, VARPOW, EvaluateFlux, and SUMMAR. The PERSENT software verification work was completed this year which was somewhat delayed because of unexpected bugs in the software. The PERSENT manual was updated to detail some of the issues and discuss the bowing reactivity worth feature added in the previous fiscal year. The RCT, DASSH, SE2RCT, and NUBOW-3D software are the only maintained pieces of software without verification reports. The software verification work for DASSH will be a focus in the upcoming fiscal year and it is hoped that some of the test cases created can serve as verification tests for SE2RCT. The NUBOW-3D work will begin when the manual and requirements report are completed. Only minor industry partner software development funds were provided this year. The DASSH software was updated to handle general axial geometry for each assembly and the NUBOW-3D software was updated to incorporate a new input format and better output. Overall progress on resolving the QA gaps has been good this year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Fiscal Year 2025 Software Quality Assurance Activities for the ARC Software

The continued goal of the ARC SQA project in the Advanced Reactor Technologies program of DOE is to resolve the QA gaps for the ARC software that limit, or prevent, commercialization of the software for industry users. This project started in earnest in fiscal year 2023 which saw the entire code system moved from a SVN repository to a GitLab repository and an associated software quality assurance plan (SQAP) developed and ratified. Most of the QA gaps in the ARC software were identified in collaboration with industry partners and work begin in fiscal year 2023 and continued through 2024 and 2025. The continuous integration testing was extended to RCT, DASSH, and SE2ANL. Minor changes were required to the original continuous integration methodology to make this happen. When full confidence in the methodology is complete, a report will be created to detail the automated regression testing methodology and minor reports will be created to detail the tolerance settings that have been applied to the output for each ARC code. The primary documentation that is missing includes user manuals, user guides, software verification reports, and code coverage assessments. The DASSH, SE2ANL, and SE2RCT manuals were completed this fiscal year. A review of the SE2ANL software identified that it is unrealistic to include updated correlations or different geometry models and it was scheduled for deprecation in favor of DASSH. The SE2ANL manual is essential for SE2RCT as they are similar but quite different in purpose. The only piece of software missing a manual consistent with the source code is NUBOW-3D which is a focus of the coming year. The code coverage report for DIF3D was updated and code coverage reports were created for REBUS, RCT, PERSENT, GAMSRC, and DASSH. Minor coverage issues were identified for all of these pieces of software which did not prevent the work done to transition them to the OneAPI compiler. Because SE2ANL was scheduled for deprecation, it was not transitioned, but it was successfully tested with the OneAPI compiler. This leaves SE2RCT and NUBOW-3D as the only pieces of software not transitioned to OneAPI and further work is required to get SE2RCT to work properly. The SE2RCT software transition will begin early next year while the NUBOW-3D software requires a manual before it can begin. Software verification work has been completed for DIF3D, REBUS, GAMSOR, GAMSRC, VARPOW, EvaluateFlux, and SUMMAR. The PERSENT software verification work was completed this year which was somewhat delayed because of unexpected bugs in the software. The PERSENT manual was updated to detail some of the issues and discuss the bowing reactivity worth feature added in the previous fiscal year. The RCT, DASSH, SE2RCT, and NUBOW-3D software are the only maintained pieces of software without verification reports. The software verification work for DASSH will be a focus in the upcoming fiscal year and it is hoped that some of the test cases created can serve as verification tests for SE2RCT. The NUBOW-3D work will begin when the manual and requirements report are completed. Only minor industry partner software development funds were provided this year. The DASSH software was updated to handle general axial geometry for each assembly and the NUBOW-3D software was updated to incorporate a new input format and better output. Overall progress on resolving the QA gaps has been good this year.

97 MATHEMATICS AND COMPUTING↗

ZPRD Database: ZPPR-15 Monte Carlo Results

The ZPPR-15 experiments [1] were mockups of a 330 MWe Integral Fast Reactor (IFR). The ZPPR-15 assembly consisted of a clean, two zone, approximately circular core surrounded by a thin depleted uranium (DU) blanket with sodium (Na) cooling and a thick stainless steel reflector. The ZPPR-15 program was conducted in four phases: A, B, C, and D. Each phase was marked by a particular composition of the reference assembly, with the last three being representative of the three stages of the IFR fuel cycle. This report documents all MCNP [2] runs of the ZPPR-15 loadings that were included in the ZPRD database on GitLab. In the present work, eigenvalues and associated standard deviations were computed for each ZPPR-15 loading with the use of the three data libraries (ENDF/B-VII.0 [3], ENDF/B-VII.1 [4] and ENDF/B-VIII.0 [5]). Relevant results from the obtained outputs are also discussed in this report with two main objectives: a) provide and evaluate updated calculated values with respect to previous reports, notably Refs. [6] and [7] that were based on the use of the ENDF/B-VII.0 library. b) address any change in the observed reactivity effects relevant to the analysis of the experimental data when a different data library is used (previously reported results were mostly based on the use of ENDF/B-VII.0 data only).

Aliberti, Gerardo↗

Foundational Dataset for Developing Large-Sample Stream Temperature Models in the Conterminous United States

This dataset provides inputs, evaluation results, and trained weights from a large-sample Long Short-Term Memory (LSTM) model designed to predict daily stream temperatures across unregulated river reaches in the conterminous United States (CONUS). It includes dynamic meteorological and hydrologic forcings, static physiographic attributes, and model outputs from cross-validation experiments spanning 300 basins. It supports reproducible modeling, direct application for new basins, and provides data suitable for integration with reservoir and river simulations under current and future climates. It contains two .zip files described below · RQ-AI_runs.zip: Model outputs from 10-fold cross-validation experiments, including observed and predicted daily stream temperatures, along with test performance metrics for water years 2017–2019. Two versions are included: 1. Model trained and validated using subbasin-area weighted dynamic features. 2. Model trained and validated using whole-basin area weighted dynamic features. · RQ-AI_inputs.zip: Collection of all formatted dynamic and static predictor datasets (meteorological, hydrologic, and physiographic features) used in model training and analysis. Detailed instructions and data structure is held at the following GitLab repository: https://code.ornl.gov/tempwise/training.

Gomez-Velez, Jesus [Oak Ridge National Laboratory ↗

LongBondEliminator: A Molecular Simulation Tool to Remove Ring Penetrations in Biomolecular Simulation Systems

We develop a workflow, implemented as a plugin to the molecular visualization program VMD, that can fix ring penetrations with minimal user input. LongBondEliminator, detects ring piercing artifacts by the long, strained bonds that are the local minimum energy conformation during minimization for some assembled simulation system. The LongBondEliminator tool then automatically treats regions near these long bonds using multiple biases applied through NAMD. By combining biases implemented through the collective variables module, density-based forces, and alchemical techniques in NAMD, LongBondEliminator will iteratively alleviate long bonds found within molecular simulation systems. Through three concrete examples with increasing complexity, a lignin polymer, an viral capsid assembly, and a large, highly glycosylated protein aggrecan, we demonstrate the utility for this method in eliminating ring penetrations from classical MD simulation systems. The tool is available via gitlab as a VMD plugin, and has been developed to be generically useful across a variety of biomolecular simulations.

59 BASIC BIOLOGICAL SCIENCES↗

HTML 5 Displays for On-Board Flight Systems

During my Internship at NASA in the summer of 2016, I was assigned to a project which dealt with developing a web-server that would display telemetry and other system data using HTML 5, JavaScript, and CSS. By doing this, it would be possible to view the data across a variety of screen sizes, and establish a standard that could be used to simplify communication and software development between NASA and other countries. Utilizing a web- approach allowed us to add in more functionality, as well as make the displays more aesthetically pleasing for the users. When I was assigned to this project my main task was to first establish communication with the current display server. This display server would output data from the on-board systems in XML format. Once communication was established I was then asked to create a dynamic telemetry table web page that would update its header and change as new information came in. After this was completed, certain minor functionalities were added to the table such as a hide column and filter by system option. This was more for the purpose of making the table more useful for the users, as they can now filter and view relevant data. Finally my last task was to create a graphical system display for all the systems on the space craft. This was by far the most challenging part of my internship as finding a JavaScript library that was both free and contained useful functions to assist me in my task was difficult. In the end I was able to use the JointJs library and accomplish the task. With the help of my mentor and the HIVE lab team, we were able to establish stable communication with the display server. We also succeeded in creating a fully dynamic telemetry table and in developing a graphical system display for the advanced modular power system. Working in JSC for this internship has taught me a lot about coding in JavaScript and HTML 5. I was also introduced to the concept of developing software as a team, and exposed to the different types of programs that are used to simplify team coding such as GitLab. While in JSC, I took full advantage of and attended the lectures that were held here on site. I learned a lot about what it is NASA does and about the interesting projects that are conducted here. One of the lectures I attended was about the selection process and the criteria that is used to select future astronauts for flight missions. This truly had an impact on my future plans as it showed me that this path was a viable option for me. After this internship I plan on completing my undergraduate course work and plan to move on for a masters degree. However, during the time in which I will be completing my masters course work, I would like to apply for the NASA pathways graduate program and, if I am accepted, eventually move on to being a full time civil servant. Working in NASA has not only been enjoyable, but full of information and great experiences that have motivated me to seek a full time employment here in the near future.

Silva, Chandika↗

Open-Source Data Engineering at NASA: CCMC's Approach to Managing Petabyte-Scale Heliophysics Data

The Community Coordinated Modeling Center (CCMC) at NASA Goddard Space Flight Center (GSFC) leads heliophysics research by providing open access to numerous models and their outputs. Our resources are available on-demand and continuously updated with real-time data, covering sun-earth interactions across multiple domains. These domains include coronal, heliosphere, inner and global magnetosphere, ionosphere, thermosphere, and lower atmosphere interactions. Operating in a hybrid environment, CCMC utilizes both self-owned hardware and Amazon Web Services (AWS) cloud infrastructure. Managing petabytes of data across multiple locations necessitates robust data engineering solutions. To address this challenge, CCMC has adopted industry-standard and open-source tools. We use Apache Airflow as our primary data engineering platform, Python for scripting and data processing, and GitLab for version control and CI/CD. Additionally, we employ Kubernetes for containerized services, Grafana and Prometheus for metrics and monitoring, and Terraform and Puppet for reproducible infrastructure as code. This presentation will discuss lessons learned from our data engineering experiences, platforms evaluated but found unsuitable for our scientific data requirements, and specific techniques developed to enhance data transfer speed and reliability. By using these technologies effectively, CCMC continues to advance heliophysics research through efficient data management and open-access modeling.

space weather↗

Best practices for documenting a scientific Python project

Documentation is a crucial component of software development that helps users with installation and usage of the software. Documentation also helps onboard new developers to a software project with contributing guidelines and API information. The INTERSECT project is an open federated hardware/software library to facilitate the development of au- tonomous laboratories. A documentation strategy using Sphinx has been utilized to help developers contribute to source code and to help users understand the INTERSECT Python interface. Docstrings as well as reStructuredText files are used by Sphinx to automatically compile HTML and PDF files which can be hosted online as API documentation and user guides. The resulting documentation website is automatically built and deployed using GitLab runners to create Docker containers with NGINX servers. The approach discussed in this paper to automatically deploy documentation for a Python project can improve the user and developer experience for many scientific projects.

Wiggins, Gavin↗

NDNSEG (Named Data Network Scalable Environment Generator) [SWR-21-91]

NDNSEG (Named Data Network Scalable Environment Generator) automates the deployment of NDN environments in NREL's Cyber-Energy Emulation Platform (CEEP). Specifying the number of clients, servers, gateways, and pv_inverters and running NDNSEG will automate the generation of required files to deploy the number of specified virtual machines, the underlying networking infrastructure, and configuration for GitLab CI/CD.

Peterson, Jordan↗