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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

SAM Software Quality Assurance Plan Implementation and NQA-1 Assessment

The System Analysis Module (SAM) is an advanced and modern system analysis tool being developed at Argonne National Laboratory under the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. As a modern-day software, SAM development included efforts to follow best practices in software development. These best practices include version control using git, independent reviews of development activities, and detailed descriptions of developments and bug fixes using the GitLab issue and merge request system. In Fiscal Year 2023 (FY23), the SAM development team set out to formalize a Software Quality Assurance (SQA) program that allowed industry partners to credit the informal steps being taken by the SAM development team to ensure the quality of the software. As part of formalizing an SQA program, a SQA Plan (SQAP) was developed, implemented, and assessed. The SAM SQAP targets compliance with NQA-1-2008/2009 Addenda. The SQAP builds on the MOOSE SQAP and the Argonne SSQAPP while accounting for the needs of the multi-organization SAM development team. Modifications to the SAM repository structure, including a new testing system, updated test cases, and the development of an internal website, facilitate the implementation of the SAM SQAP. The initial assessment of the SAM SQAP indicated that the SAM SQAP was adequately and effectively implemented and additional work was required to improve the compliance of the SAM SQAP with NQA-1 2008/2009 Addenda. Several improvements to the SQAP have already been drafted to address these assessments and future work is planned to further improve the SAM SQAP in support of end-user needs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Recent advances in integrated hydrologic models: Integration of new domains

Over the past several decades, hydrologic models have advanced from independent models of the surface and subsurface to integrated models that can capture the terrestrial hydrologic cycle within one framework. In recent years, these coupled frameworks have seen the inclusion of biogeochemical processes, ecohydrology, sedimentation and erosion, cold region hydrology, anthropogenic activities, and atmospheric processes. This expansion is the result of increased computational, data, and modeling capabilities and capacities, as well as improved understanding of the processes that drive these integrated systems. Here, in this study, we review these recent advances to integrate new processes and systems into existing terrestrial hydrologic models and highlight the significant challenges and opportunities that remain. We identify that with so many models currently available and in development, selecting the most appropriate model is difficult, and we suggest a path for new or novice modelers to find the most appropriate code based on their needs. In addition, data required to parameterize and calibrate these models can often constrain their applicability and usefulness. However, advances in environmental sensors and measurement technology, in addition to data assimilation of non-traditional data (e.g. remote sensing, qualitative data) are providing new ways of addressing this issue. As we expand hydrologic models to integrate more processes and systems, our computational demands also increase. Recent and emerging advances in computational platforms, including cloud and quantum computing, in addition to the use of machine learning to capture some processes, will continue to support the use of increasingly larger and more complex, process-based models. Finally, we highlight that it is critical to develop state-of-the-science models that are accessible to all model users, not just those applied for research and development. We encourage continued development of diverse modeling platforms, considering the user needs, data availability, and computational resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ambassador Project (Final Report)

SEL, in collaboration with its partners, performed research, development and demonstration of a trust, data, and resource management software layer enabling multiple software applications from different suppliers to operate in a Software Defined Infrastructure. The Energy sector has successfully deployed Software Defined Networking (SDN) technology and is rapidly scaling deployments. One major benefit of SDN is the abstracted centralized nature of the orchestration and management of the network. This architecture enables end users to deploy new technology and capabilities as quickly as they perform firmware upgrades to field devices. When an end user needs to roll trucks to install new equipment, they simply deploy new software to run on top of this SD-Infrastructure. This has attracted many software companies to develop value added features and introduce new capabilities, which is all good for the industry but has also introduced new challenges, including how to manage trust between these software applications, how to manage the data integrity and access, and how to manage access to the network resources each of these software applications are demanding. Completion of this project developed and demonstrated a safe and reliable resource scheduler and cybersecurity trust management communication platform allowing multiple software applications to operate in a SD-Infrastructure resulting in the commercialization of a software eco-system and architecture that maintains interoperability, cybersecurity, and reliability where the end user can safely scale out their software to leverage the powerful benefits of SDN.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Mneme

A simple tool allowing recording the execution of a GPU (CUDA) kernel and replaying that kernel as an independent executable. The tool operates in 3 phases. During compile time the user needs to apply a provided LLVM pass to instrument the code. The pass detects all device global variables and device functions and stores this information with the respective LLVM-IR in the global device memory. The compilation generates a record-able executable. The second phase involves running the application executable with a desired input and using LD_PRELOAD to enable recording. When recording before invoking a device kernel the pre-loaded library stores device memory in persistent storage and associates the memory with the device kernel and an LLVM IR file. At the end of the recorded execution the pre-load library generates a database in the form of a JSON file containing information regarding the LLVM-IR files and the snapshots of device memory. During the third and last phase the user can replay the execution of an kernel as a separate independent executable. Besides executing it the user can modify the LLVM IR file and auto-tune parameters such as kernel launch-bounds or kernel runtime execution parameters (e.g. Kernel Block and Grid Dimensions). Is

Parasyris, Konstantinos↗
DOE OSTI2026

Human Factors and Technologies Design to Improve User Acceptance of Pooled Rideshare for Increasing Transportation System Energy Efficiency

This multi-year project delivered a comprehensive, human-factors-driven framework to understand, model, and improve pooled rideshare (PR) adoption in the United States. Through three large-scale national survey studies involving more than 16,000 participants across multiple cities and demographic groups, the research established one of the most extensive datasets to date on user perceptions, behavioral barriers, and service expectations related to pooled rideshare. These data revealed key human factors barriers of user acceptance of PR and suggested potential actionable experience optimizations that could lead to increased PR usage. This foundational knowledge guided the development of novel human-factors models and behavioral choice models that quantify how psychological, demographic, and trip-level factors influence willingness to pool. Building on these empirical insights, the project developed advanced behavioral modeling tools, including mixed logit and integrated choice and latent variable models, to capture both observable and latent influences on PR adoption. These models significantly improved the ability to predict riders’ acceptance of pooled trips, explaining choice heterogeneity through latent constructs such as safety, service experience, privacy concerns, time sensitivity, and environmental attitudes. Together, these models provide a robust analytical foundation for designing PR systems that more effectively meet user needs. The project translated human-factors insights and behavioral models into actionable technology innovations by extending POLARIS—an agent-based, activity-based travel simulation platform—into a fully functional pooled rideshare simulation environment. New PR modules, acceptance models, and regional scenarios were implemented for Greenville, SC and Austin, TX, enabling high-fidelity validation of algorithmic strategies under realistic demand and traffic conditions. The simulation platform supported the development and evaluation of adaptive discount-based assignment algorithms, enhanced willingness-to-pay formulations, demographic-aware incentive mechanisms, and a proactive joint assignment and repositioning strategy. Simulation results demonstrated substantial gains in pooling uptake, average vehicle occupancy, energy efficiency, and fleet profitability. In Greenville, pooling adoption more than doubled, while reductions in vehicle-miles traveled and energy consumption were significant. In Austin, pooling improvements were achieved with minimal service-quality trade-offs, and profitability increased across all fleet sizes. Through this research, we developed a comprehensive understanding of the human factors barriers that limit user acceptance of pooled rideshare services. These insights enabled the design of human-factors-aware pooled rideshare technologies that more effectively address user concerns and improve adoption rates. By integrating these models into an advanced agent-based simulation framework, we demonstrated that higher adoption of pooled rideshare can lead to measurable improvements in energy efficiency and system performance. Together, these contributions establish a validated pathway from human-centered analysis to technology development and energy-saving outcomes, supporting national goals for more sustainable and efficient mobility systems.

Jia, Yunyi↗
DOE OSTI2025

Trusted Simulation: Considering Model Quality in the Context of User Trust

A high‐quality simulation model should help its users to easily and appropriately calibrate their trust in the model. Traditional evaluation metrics such as validation and robustness are necessary but insufficient for this task. Trust calibration depends on factors like the model's transparency, applicability to intended use, usability, reputation, and consideration of potential bias. This article proposes a framework for designing and evaluating system dynamics models by considering factors that contribute to the proper calibration of user trust. This framework takes inspiration from trusted artificial intelligence, broadening our traditional concept of model quality and explicitly focusing on what users need to consider a model trustworthy and to understand the model's relevance to its intended purpose. The trusted simulation framework can improve our integration of model quality activities throughout the modeling process, leading to more impactful and better‐targeted model design, development, and evaluation.

Naugle, Asmeret Bier [Sandia National Laboratories↗
DOE OSTI2020

Dynamic instructions for Lock-out Tag-out

Lock-out tag-out (LOTO) instructions protect personnel from un-expected re-energization or start-up of equipment that is under maintenance. Even though there is rigorous training associated with LOTO activities, inci-dents still occur. Idaho National Laboratory is researching and developing dynamic LOTO instructions, which supports automatic place keeping, per-sonnel working on multiple instructions, and multiple work groups complet-ing the same instructions. Researchers identified user needs through subject matter expert interviews, observations, and classroom training. Failing to identify potential hazards during LOTO can cause injury or death to person-nel. Dynamic instructions can provide planning, incorporate supplemental documentation into the instruction, and improve instruction compliance. Combining these functions may lead to clearer, more applicable instructions which addresses the reason for compliance issues with current paper-based procedures.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

The RAM-SCB model and its applications to advance space weather forecasting

Energetic particle fluxes that are part of the Earth’s ring current and radiation belts can intensify significantly during space weather events like geomagnetic storms and could cause severe damage to satellite-based technologies. Understanding the physical processes that control their dynamics and improving our capability for their prediction is thus extremely important. In the context of space weather applications and user needs, this paper provides a brief description of our kinetic ring current-atmosphere interactions model with self-consistent magnetic field (RAM-SCB) and its further extension to implement a self-consistent electric (E) field. Specific examples that demonstrate RAM-SCB capabilities and limitations to reproduce the near-Earth space weather environment are given. In this paper, the current status of RAM-SCB is assessed and plans for its further improvement are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Perspectives on Polyolefin Catalysis in Microfluidics for High-Throughput Screening: A Minireview

Polyolefins are the largest produced plastics in the world which traditionally employ continuous stirred tank reactors and fluidized bed reactors for commercial production. The operating condition, reaction kinetics, and molecular interactions inside the reactor strongly affect the polyolefin properties, which require stringent process control in conventional procedures. Understanding the catalytic pathway, behavior of polymer particles and effect of reactor conditions are essential for designing specific polymer properties, namely the molecular weight, chain length, polydispersity, etc. Microfluidics can play a significant role in designing polymers tailored to the user needs. Smaller channel dimensions help obtain uniform reaction conditions over the length of the microfluidic reactor in a controlled environment. With real-time monitoring techniques in microfluidics, even single particle growth of polymer can be studied to understand the parameters affecting the polymer properties. High throughput microfluidics can help catalyst screening in a short duration with less consumption of reagents generating less waste. When supplemented with efficient machine learning algorithms, automated high throughput microfluidics has the potential to rapidly optimize the process and develop new knowledge even with a limited data set. When trained on data sets generated using microfluidic experiments that are designed efficiently with working knowledge of the process, machine learning algorithms can provide the relationship between the multivariable parameters space and polymer properties, which is not possible with the traditional statistical methods and interpolation techniques. Here, the rise in the utilization of microfluidics, with the advancement of machine learning algorithms, for polyolefin catalysis, highlights the importance of microfluidics for catalyst discovery, parameter optimization, and understanding reaction pathway for producing polymers with specific properties for specialized applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography

Compared with batch and vapor diffusion methods, counter diffusion can generate larger and higher-quality protein crystals yielding improved diffraction data and higher-resolution structures. Typically, counter-diffusion experiments are conducted in elongated chambers, such as glass capillaries, and the crystals are either directly measured in the capillary or extracted and mounted at the X-ray beamline. Despite the advantages of counter-diffusion protein crystallization, there are few fixed-target devices that utilize counter diffusion for crystallization. In this article, different designs of user-friendly counter-diffusion chambers are presented which can be used to grow large protein crystals in a 2D polymer microfluidic fixed-target chip. Methods for rapid chip fabrication using commercially available thin-film materials such as Mylar, propylene and Kapton are also detailed. Rules of thumb are provided to tune the nucleation and crystal growth to meet users' needs while minimizing sample consumption. These designs provide a reliable approach to forming large crystals and maintaining their hydration for weeks and even months. This allows ample time to grow, select and preserve the best crystal batches before X-ray beam time. Importantly, the fixed-target microfluidic chip has a low background scatter and can be directly used at beamlines without any crystal handling, enabling crystal quality to be preserved. The approach is demonstrated with serial diffraction of photoactive yellow protein, yielding 1.32 Å resolution at room temperature. Fabrication of this standard microfluidic chip with commercially available thin films greatly simplifies fabrication and provides enhanced stability under vacuum. These advances will further broaden microfluidic fixed-target utilization by crystallographers.

Liu, Zhongrui↗
DOE OSTI2025

Resilient Entanglement Distribution in a Multihop Quantum Network

The evolution of quantum networking requires architectures capable of dynamically reconfigurable entanglement distribution to meet diverse user needs and ensure tolerance against transmission disruptions. We introduce multihop quantum networks to improve network reach and resilience by enabling quantum communications across intermediate nodes, thus broadening network connectivity and increasing scalability. We present multihop two-qubit polarization-entanglement distribution within a quantum network at the Oak Ridge National Laboratory campus. Our system uses wavelength-selective switches for adaptive bandwidth management on a software-defined quantum network that integrates a quantum data plane with classical data and control planes, creating a flexible, reconfigurable mesh. Our network distributes entanglement across six nodes within three subnetworks, each located in a separate building, optimizing quantum state fidelity and transmission rate through adaptive resource management. Additionally, we demonstrate the network's resilience by implementing a link recovery approach that monitors and reroutes quantum resources to maintain service continuity despite link failures—paving the way for scalable and reliable quantum networking infrastructures.

Alshowkan, Muneer [Oak Ridge National Laboratory (↗
DOE OSTI2025

Surrogate-Based Autotuning for Randomized Sketching Algorithms in Regression Problems

Algorithms from Randomized Numerical Linear Algebra (RandNLA) are known to be effective in handling high-dimensional computational problems, providing high-quality empirical performance as well as strong probabilistic guarantees. However, their practical application is complicated by the fact that the user needs to set various algorithm-specific tuning parameters which are different from those used in traditional NLA. This paper demonstrates how a surrogate-based autotuning approach can be used to address fundamental problems of parameter selection in RandNLA algorithms. In particular, we provide a detailed investigation of surrogate-based autotuning for sketch-and-precondition (SAP)-based randomized least squares methods, which have been one of the great success stories in modern RandNLA. Empirical results show that our surrogate-based autotuning approach can achieve near-optimal performance with much less tuning cost than a random search (up to about 7.6x fewer trials of different parameter configurations). Moreover, while our experiments focus on least squares, our results demonstrate a general-purpose autotuning pipeline applicable to any kind of RandNLA algorithm.

Cho, Younghyun↗
DOE OSTI2021

Role-Based Access Control for Distributed Energy Resources v.1.0

The Role-Based Access Control (RBAC) for Distributed Energy Resources (DER) software is an automated and transparent stack for RBAC administrators to interact with RBAC policy. The package includes demonstrations of centralized and decentralized RBAC implementation. Both include simulated DER entities that are stored automatically in a centralized Lightweight Directory Access Protocol (LDAP) server. It also includes a REST-API to serve the HTTP requests of the RBAC administrators. A complete front-end is included to serve the users' needs. This software may be used by industry (DER vendors/utilities) as well as the research community to determine if a centralized or decentralized solution fits better the needs of an RBAC model in a DER environment. Additionally, parts of this software may be useful for developing implementations for specific needs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-8292 O

Johnson, Jay↗
DOE OSTI2020

AniMACCS User Guide

This SAND Report provides an overview of AniMACCS, the animation software developed for the MELCOR Accident Consequence Code System (MACCS). It details what users need to know in order to successfully generate animations from MACCS results, to include information on the capabilities, requirements, testing, limitations, input settings, and problem reporting instructions for AniMACCS version 1.3. Supporting information is provided in the appendices, such as guidance on required input files using both WinMACCS and running MACCS from the command line. This page left blank

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Assessment of the Griffin Reactor Multiphysics Application Using the Empire Micro Reactor Design Concept

In late 2019, INL and ANL agreed to jointly develop the reactor physics code named Griffin based on the integration of the two code suites, MAMMOTH/Rattlesnake (INL) and MC2 - 3/PROTEUS (ANL). Griffin is being developed based on the MOOSE framework and MOOSE quality assurance procedures. This decision was made to be able to allow DOE-NE to efficiently invest funding to this area and to provide effective and timely support for existing and potential users; the latter includes industry and government organizations who are developing various types of advanced reactors in the near and long term. Since MAMMOTH/Rattlesnake has been developed based on the MOOSE framework, the INL/ANL Griffin development team agreed to build Griffin beginning with a merger of MAMMOTH and Rattlesnake into a single code and moving forward by implementing capabilities from the PROTEUS suite into Griffin. Moving forward, both ANL and INL efforts are equally invested in the Griffin project, with management support, to provide an advanced reactor multiphysics tool to assist in reactor design, optimization, and safety analysis. Much work remains in moving Griffin forward to migrate PROTEUS capabilities and to optimize performance to meet user needs. The main objective of this work is to assess the current status of Griffin capabilities in terms of performance and accuracy, to determine priorities for PROTEUS migration, and to identify capabilities and features to improve for supporting the code integration effort. For this assessment, the Empire micro reactor problem that was developed in the ARPA-E MEITNER program was selected as an advance reactor concept of interest to the technical community. The Empire reactor problem was expanded from its original incomplete specification to be a small heat-pipe-cooled micro reactor core with ~113 cm radius and 70 cm in height, composed of 18 fuel assemblies, 12 control drums, and beryllium radial and axial reflectors. In the current model, using 5 cm axial reflectors specified in the original Empire assembly model, more than 10% of neutrons leak axially and through the empty center safety hole, as well as through heat pipe channels in fuel assembly elements that extend through the top reflector region. Several calculation models of the core were defined for systematic assessment, including 2-D and 3-D fuel assemblies and whole cores with cylindrical boundaries. Cross sections were generated using Serpent 2, and meshes were produced using the Argonne mesh tool or the INL neutronics meshing tools combined with CUBIT. Cross sections and meshes were converted to the ISOXML and Exodus formats, respectively, so that Griffin and PROTEUS could use consistent data for solving the reactor problems. With the prepared cross sections and meshes, PROTEUS was run first to ensure that all input data were correctly generated and input options in terms of angle, mesh, and energy group were accurately determined. Comparisons against Serpent 2 solutions were made in terms of eigenvalue and pin power. The same calculations and comparisons were then conducted using Griffin. For the fuel assembly and whole core problems, the PROTEUS eigenvalues agreed well with reference Serpent 2 solutions within 100 and 30 pcm, respectively, and pin power differences relative to Serpent 2 were overall less than 2.2% and RMS 0.8% for the whole core models. This indicated that all input data were properly prepared. Using the same data, Griffin was run selecting the SAAF-CFEM SN solver with Legendre-Gaussian quadrature and NDA and DSA for acceleration. It was found that the SAAF-CFEM solver of Griffin required finer meshes to achieve eigenvalue and pin power solutions in good agreement with Serpent 2, consequently requiring more memory requirement and longer computation time. On the other hand, the SPH-Diffusion 2-D core calculations performed using Griffin were able to recover the exact eigenvalue from the reference Serpent 2 solutions, resulting in a pin-power distribution with an RMS of 0.6% and maximum absolute difference of less than 1.4%. The runtimes for SPH-Diffusion for the 2-D core were less than 3 minutes on 40 cores. During this evolution of this evaluation, many updates were made in Griffin by the Griffin development team of INL (focusing on software updates) and ANL (reviewing and supporting software updates) to complete this assessment. Observations from the code assessment are presented in the conclusion section of this report, followed by a discussion of recommendations for future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

AniMACCS User Guide

This SAND Report provides an overview of AniMACCS, the animation software developed for the MELCOR Accident Consequence Code System (MACCS). It details what users need to know in order to successfully generate animations from MACCS results. It also includes information on the capabilities, requirements, testing, limitations, input settings, and problem reporting instructions for AniMACCS version 1.3.1. Supporting information is provided in the appendices, such as guidance on required input files using both WinMACCS and running MACCS from the command line.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

2021 Annual Report: Atmospheric Radiation Measurement

In fiscal year 2021 (FY2021), the COVID-19 pandemic continued to have an impact on activities within the Atmospheric Radiation Measurement (ARM) user facility. Travel was limited, which affected field activities and forced the continuation of virtual meetings. However, the ability to travel expanded significantly through the year, bringing some return to normalcy, and throughout the year, there was a great deal of activity dedicated to advancing the facility. Because of COVID, ARM twice delayed the TRacking Aerosol Convection interactions ExpeRiment (TRACER) in the Houston, Texas, area. Originally planned to launch in the spring, TRACER started October 1, 2021, one month after the Surface Atmosphere Integrated Field Laboratory (SAIL) campaign began near Crested Butte, Colorado. ARM teams worked onsite and remotely to make sure both campaigns could launch on this new schedule that was set early in the year. Data from SAIL and TRACER will be critical to improving earth system models, each contributing to different sets of issues. SAIL measurements will provide insights into how precipitation forms and water travels through the Upper Colorado River Basin. TRACER scientists want to know whether tiny atmospheric particles can influence the severity of thunderstorms. In October 2020, the Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition ended after 13 months. MOSAiC data from ARM and other organizations are already helping scientists better understand how ice, atmosphere, and ocean systems are connected in the central Arctic. This report discusses some early investigations from MOSAiC, along with other ARM campaigns and activities generating prolific research. In this report, you will also learn how research activities moved forward during the pandemic at ARM’s fixed-location atmospheric observatories. There were important science applications from measurements across the facility. ARM spent a significant amount of FY2021 looking back—and ahead. In November 2020, ARM had its Triennial Review. This review is held every three years to evaluate ARM’s effectiveness in science, operations, and management. Overall, the reviewers had positive feedback regarding the breadth and impact of science activities using ARM data and the way ARM strives to meet changing user needs. The reviewers also provided some recommendations for strengthening ARM going forward. Incorporating feedback from the review, we finalized an updated Decadal Vision document that will help guide ARM priorities in the coming years. This report describes the four themes driving ARM’s Decadal Vision.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

GNDS Expert Group Report [Slides]

The presentation discusses the GNDS-1.9 specifications that were published during the Summer 2020 and a webinar that occurred on 8 July 2020. It also discusses the goals of the GNDS-2.0, including the intention to satisfy the remaining SG-38 goals, to ensure “forwards compatibility” with ENDF-6, and to respond to user needs. It discusses the 2020 status and a poll that was implemented to find out more about how GNDS is being implemented. The presentation states that some projects are far along in their GNDS support and that most are open source with 20% closed source. It also states that GNDS's purpose is to inspire younger scientists with a histogram displaying what fraction of the developers are student, post-docs, and junior staff. The presentation concludes by discussing what is next including major format changes post-GNDS-2.0 and an ENDF to GNDS transition.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗