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DOE OSTI2017

Fluid-Structure Interaction of Deforming Porous Media

Sandia National Laboratories (SNL) and the Procter and Gamble Company (P&G) collaborated to develop a computational tool that predicts the in-use performance of consumer good products based on specific loading, geometries, materials, and boundary conditions. This computational tool is particularly useful in exploring the consumer-product interface and product performance. The benefit to P&G was many-fold, as the numerous project-tasks that were funded under this agreement led to advanced analysis software that allowed P&G to improve the performance and manufacturing of many of their products across several business units. The benefit to SNL was many-fold as well, including improved reduced-order models for thin-region dynamics (used for customers through DSA, NW, and EC PMUs), improved computational mechanics capability for capillary hydrodynamics, porous flow, structural mechanics, and more. Example applications of these improved capabilities at SNL include, but are not limited to, encapsulation, welding, soldering, and brazing models for NW, interface sliding models for DoD SPP programs, and porous-elastic subsidence modeling for energy and climate applications. Moreover, many current code developers on the ASC program’s SIERRA applications gained valuable skills working on this CRADA.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Addendum to the REBUS Users Guide: REBUS-PC (V.1.5)

The Department of Energy (DOE) National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Reactor Conversion Program uses the REBUS-PC computer code to provide reactor physics and core design information such as neutron flux distributions in space, energy, and time, and to track isotopic changes in fuel and neutron absorbers with burnup. REBUS-PC has evolved from the original REBUS code, which was created starting in the 1960’s to study large liquid metal cooled fast reactors. In particular, additional outputs were added to improve user convenience and some inputs were modified to improve the functionality of the software. REBUS and REBUS-PC both model the external cycle, and are very general codes with 1D, 2D, and 3D neutronics capabilities, and with complete fuel shuffling capabilities. REBUS remains an extremely efficient reactor analysis tool for use in fast reactor systems, and so development has continued at Argonne National Laboratory (ANL) to this day for non-thermal reactor applications. While retaining the efficient computational engine of REBUS, REBUS-PC has evolved to its present status with continuous development since 1999. REBUS-PC has numerous changes and enhancements directed toward the needs of the thermal reactor analyst using Windows or Linux-based computational platforms.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Evaluating a Commercial Dynamic Line Rating Software with the National PMU Dataset

To accelerate the development of data-driven applications for power systems, the Department of Energy (DOE) supported the collection and curation of a synchrophasor dataset spanning two years of observations from transmission utilities across the US. This National PMU Dataset (NPDS) was anonymized and distributed to awardees of a DOE research grant under nondisclosure agreements (NDAs) but has also been retained at PNNL to enable further research. Agreements with data contributors prevent the data from being shared outside the organization. However, establishing a blind research validation methodology is envisioned to maximize the value proposition of the NPDS. In this validation strategy, researchers may share algorithms/software (potentially as executables to protect intellectual property) with PNNL, and PNNL will share feedback about the software’s performance on subsets of the NPDS. Such a blind methodology ensures that sensitive information about critical infrastructure remains protected, but the value of the NPDS can be extended to research beyond PNNL. Through iterative feedback, the algorithms may be tweaked to address real-world artifacts. As the NPDS data is temporally and geographically diverse, it may capture features absent in smaller datasets used during the development of the algorithm under test. This report presents lessons learned from applying the blind validation methodology to LineID™, a synchrophasor-based dynamic line rating software developed by Topolonet Corporation. Improvements made to the software through iterative feedback, limitations of the validation methodology, as well as how the limitations of the NPDS affected the evaluation process are discussed. Observations indicate that the proposed validation methodology can be valuable for evaluating other tools in the future.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Application of quantitative methods for reliability testing of a nuclear power plant digital rod position indication diagnostic system - 391

Obsolescence, aging, reliability, and performance issues are driving nuclear facilities to replace conventional analog Instrumentation and Control (I and C) systems with digital technologies. In addition, the designs of the next generation of nuclear reactors, including Small Modular Reactors (SMRs), will incorporate digital I and C for most, if not all, of their safety and non-safety related functions. As part of an on-going research and development (R and D) effort under the auspices of the U.S. Department of Energy (DOE), Analysis and Measurement Services Corporation (AMS) is developing a platform to provide automated testing of digital I and C systems and create a standard method of evaluation for reliability assessments. This hands-on R and D effort has produced a Software Reliability Tester (SRT), which is a set of software and hardware tools designed to automate the testing of digital I and C systems to measure and quantify how well the systems perform under normal operating conditions and in the presence of faults. Furthermore, the SRT provides the foundation for a practical tool to automate verification and validation (V and V) activities and reduce the amount of testing time of digital I and C systems. When combined with its capabilities of integrating both reliability and fault tolerance quantification, the SRT can be used to ensure that digital I and C implementations are both safe and cost-effective for the nuclear industry. This paper describes the application of the SRT to perform V and V of a new Digital Rod Position Indication (DRPI) diagnostic system. The DRPI diagnostic system is a digital system that monitors the rod address and rod position data bus voltages of typical DRPI systems in nuclear power plants to detect and diagnose faults. For this application, the SRT was configured to exercise the inputs of the DRPI diagnostic system, and test cases were generated for common system faults such as address and data bit errors, bus voltage, and timing problems. These test cases were applied by the SRT hardware as voltage inputs to the DRPI diagnostic system and the outputs were compared to expected values generated by a model of the DRPI diagnostic system. Included in the paper is a description of the overall design of the SRT including the hardware and software architectures. Methodologies for automating test cases are also described. V and V using the SRT demonstrates the benefits of automated testing and qualification to provide a quantitative assessment of reliability and cost effective implementation of digital I and C in existing and next generation nuclear power plants. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Disease insights through cross-species phenotype comparisons

New sequencing technologies have ushered in a new era for diagnosis and discovery of new causative mutations for rare diseases. However, the sheer numbers of candidate variants that require interpretation in an exome or genomic analysis are still a challenging prospect. A powerful approach is the comparison of the patient’s set of phenotypes (phenotypic profile) to known phenotypic profiles caused by mutations in orthologous genes associated with these variants. The most abundant source of relevant data for this task is available through the efforts of the Mouse Genome Informatics group and the International Mouse Phenotyping Consortium. In this review, we highlight the challenges in comparing human clinical phenotypes with mouse phenotypes and some of the solutions that have been developed by members of the Monarch Initiative. These tools allow the identification of mouse models for known disease-gene associations that may otherwise have been overlooked as well as candidate genes may be prioritized for novel associations. The culmination of these efforts is the Exomiser software package that allows clinical researchers to analyse patient exomes in the context of variant frequency and predicted pathogenicity as well the phenotypic similarity of the patient to any given candidate orthologous gene.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Legacy OpenStudio® SketchUp Plug-in [SWR-07-40]

The Legacy OpenStudio® SketchUp Plug-in makes it easy to create and edit the building geometry in EnergyPlus® input files. This free plug-in also allows you to launch EnergyPlus simulations and view the results without leaving the SketchUp 3D drawing program. Note that active OpenStudio development has moved from the Legacy OpenStudio Plug-in to the more comprehensive OpenStudio suite of tools and libraries found here: https://github.com/NREL/OpenStudio. More information can be found at http://openstudio.net. The OpenStudio Legacy Plug-in has been relaunched as Euclid by Big Ladder Software, the project's new homepage is http://bigladdersoftware.com/projects/euclid/. The Legacy OpenStudio Plug-in was created by the National Renewable Energy Laboratory for the U.S. Department of Energy as an interface to the EnergyPlus simulation engine. Refer to the EnergyPlus webpage at energyplus.gov for an overview of the concept and features. User support is available via the community moderated question and answer resource unmethours.com.

Macumber, Dan↗

DOE OSTI2024

NetDuid

SAND2025-00238O The NetDuid library is a software tool that can manage and manipulate DHCP Unique Identifiers (DUIDs) in .NET applications. It simplifies the process of working with DUIDs by offering functionalities such as parsing, constructing, comparing, checking equality, and formatting DUIDs. The library supports various types of DUIDs, making it easier for developers to handle these identifiers in their applications. The program fills a gap in the .NET/C# ecosystem by providing a specialized tool for managing DHCP Unique Identifiers, offering a straightforward and efficient solution for developers. 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.

Engelhardt, Robert↗

DOE OSTI2021

Overview of Advanced Reactor Simulation Capabilities to Support Demonstrations

The Virtual Test Bed (VTB) was established to support the deployment of advanced reactors by facilitating the use of state-of-the-art modeling and simulation capabilities. These tools are able to solve previously prohibitive challenge problems in greater levels of fidelity and in a multi-physics framework. A VTB repository was recently set up to host models for a wide variety of reactor types and using a range of NEAMS-developed software. Table I summarizes the different capabilities already available in the repository and up-and-coming near/long term ones. The repository currently hosts models for a wide variety of reactor types, including High-Temperature Gas Cooled Reactors (HTGR), Sodium Fast Reactors (SFR), Fluoride salt cooled High-temperature Reactors (FHR), Molten Salt Reactors (MSR), and Heat-Pipe Microreactors (HP-MR). It should be noted that work is ongoing for all of the models and each example problem is at a different state of maturity.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2023

Code Coverage Status of ARC Code-DIF3D

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. DIF3D plays a pivotal role in the ARC system as the primary homogenized assembly neutronic calculation methodology for fast reactor problems. Over its 40 years history, ARC software usage with DIF3D has been applied to numerous fast and thermal spectrum reactor analysis projects with good to excellent comparison against experiments. With continued improvement of computation resources, many of the geometry modeling capabilities in DIF3D that were primarily used in low order schemes are not really needed anymore. Today, the diffusion and transport capabilities of DIF3D-VARIANT are primarily used in the reactor design process with some scattered usage of DIF3D-FD and DIF3D-Nodal. In recent work, the DIF3D software verification was completed for DIF3D-FD and DIF3D-VARIANT on the geometry options used in the Versatile Test Reactor project. While we can be confident that these capabilities of DIF3D are well used and thus trusted, it does not demonstrate that all possible input options of DIF3D are actually working, but just those that were tested as part of VTR are and that they are correct. Thus, the purpose of the present work is to identify a set of test problems for DIF3D and assess the code coverage of DIF3D for those test problems. The goal is to document what parts of the existing DIF3D code are touched by the set of test problems and which are not. Because the verification work done on DIF3D-VARIANT and DIF3D-FD was focused on the most common uses of DIF3D for fast reactor analysis, the code coverage assessment of those capabilities is the highest priority. This will ensure that nothing is being missed by the existing verification test problems that DIF3D relies upon. The DIF3D-Nodal capability will also be inspected for code coverage as part of this work to further ensure that regular regression testing of DIF3D will trap any likely errors the end user might experience with the DIF3D software. The code coverage analysis of DIF3D was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of DIF3D. The detailed coverage tables are given for each submodule of DIF3D separately, and for the submodules which are primarily developed for DIF3D, most of the source files could be at least partially touched. Most of the uncovered parts/files could be easily ignored, because they are either for error message and debugging output or obviously not needed by DIF3D. Out of the entire source codes of DIF3D, only a few uncovered modules deserve further investigation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Code Coverage Status of the ARC Code DIF3D

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

NA84 Final Report: Initial Transition of the Optimization Planning Tool for Urban Search (OPTUS) to the AVID Operational Environment

The long-term objective of this project is to transition the OPTUS software into operational use. In FY2017, the LLNL/RSL project team identified an initial capability, compatible with the NA-84 operational software environment, that OPTUS could provide to assist search planning. The LLNL development team developed and implemented a solution to the problem and demonstrated the software utility to RSL. The enhanced OPTUS code was made available to RSL for evaluation. Although the project was not continued in FY18, a small amount of funding was carried over to support the handoff to RSL and to complete the FY17 annual report. The current report is a slight modification of the FY17 report and constitutes the final project report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2018

Navigating the maze: the impact of configurability in bioinformatics software

The bioinformatics software domain contains thousands of applications for automating tasks such as the pairwise alignment of DNA sequences, building and reasoning about metabolic models or simulating growth of an organism. Its end users range from sophisticated developers to those with little computational experience. In response to their needs, developers provide many options to customize the way their algorithms are tuned. Yet there is little or no automated help for the user in determining the consequences or impact of the options they choose. In this paper we describe our experience working with configurable bioinformatics tools. We find limited documentation and help for combining and selecting options along with variation in both functionality and performance. We also find previously undetected faults. We summarize our findings with a set of lessons learned, and present a roadmap for creating automated techniques to interact with bioinformatics software. We believe these will generalize to other types of scientific software.

McDevitt, Mikaela Cashman↗

DOE OSTI2021

Qualification of System-Level Advanced Reactor Safety Analysis Software for Lead Systems: Final CRADA Report

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over forty-five years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. Although SAS4A/SASSYS-1 was developed to support the analysis of any liquid-metal-cooled nuclear reactor, it has primarily been utilized to design and analyze Sodium Fast Reactors (SFRs). As a result, most of the qualification basis for SAS4A/SASSYS-1 has utilized sodium as a coolant and geometry descriptions that are prototypic of SFR configurations. In this project, which partnered with Westinghouse Electric Company, LLC, the initial foundation for a qualification basis centered on prototypic pool-type lead-cooled systems has been established, where the end goal is to extend support for utilization of SAS4A/SASSYS-1 in Lead Fast Reactor (LFR) licensing or authorization. This project included three fundamental technical tasks: LFR V&V test suite development (Task 1); qualification support for LFRs (Task 2); and LFR modeling capabilities evaluation and improvement (Task 3)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

SU-D-213-03: Towards An Optimized 3D Scintillation Dosimetry Tool for Quality Assurance of Dynamic Radiotherapy Techniques

Purpose: The purpose of this work is to simulate a multi-focus plenoptic camera used as the measuring device in a real-time three-dimensional scintillation dosimeter. Simulating and optimizing this realistic optical system will bridge the technological gap between concept validation and a clinically viable tool that can provide highly efficient, accurate and precise measurements for dynamic radiotherapy techniques. Methods: The experimental prototype, previously developed for proof of concept purposes, uses an off-the-shelf multi-focus plenoptic camera. With an array of interleaved microlenses of different focal lengths, this camera records spatial and angular information of light emitted by a plastic scintillator volume. The three distinct microlens focal lengths were determined experimentally for use as baseline parameters by measuring image-to-object magnification for different distances in object space. A simulated plenoptic system was implemented using the non-sequential ray tracing software Zemax: this tool allows complete simulation of multiple optical paths by modeling interactions at interfaces such as scatter, diffraction, reflection and refraction. The active sensor was modeled based on the camera manufacturer specifications by a 2048×2048, 5 µm-pixel pitch sensor. Planar light sources, simulating the plastic scintillator volume, were employed for ray tracing simulations. Results: The microlens focal lengths were determined to be 384, 327 and 290 µm. A realistic multi-focus plenoptic system, with independently defined and optimizable specifications, was fully simulated. A f/2.9 and 54 mm-focal length Double Gauss objective was modeled as the system’s main lens. A three-focal length hexagonal microlens array of 250-µm thickness was designed, acting as an image-relay system between the main lens and sensor. Conclusion: Simulation of a fully modeled multi-focus plenoptic camera enables the decoupled optimization of the main lens and microlens specifications. This work leads the way to improving the 3D dosimeter’s achievable resolution, efficiency and build for providing a quality assurance tool fully meeting clinical needs. M.R. is financially supported by a Master’s Canada Graduate Scholarship from the NSERC. This research is also supported by the NSERC Industrial Research Chair in Optical Design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Grid Strength Analysis for Integrating 30 GW of Offshore Wind Generation by 2030 in the U.S. Eastern Interconnection

Offshore wind is a key player in the transition to a decarbonized electric gird, and the United States has set ambitious goals of integrating 30 GW of offshore wind capacity by 2030 and 110 GW by 2050. To facilitate this integration, the National Renewable Energy Laboratory and the Pacific Northwest National Laboratory are conducting the Atlantic Offshore Wind Transmission Study to assess transmission solutions. To achieve the 110-GW target by 2050, meticulous planning for network expansion and resource allocation is essential; however, meeting the 2030 goals requires integrating offshore wind power with minimal system upgrades, thus necessitating a careful study of grid strength and stability. The study team developed the Automated System-wide Strength Evaluation Tool (ASSET) to assess system strength under various operating conditions and contingencies, focusing on the proposed integration of 30 GW of offshore wind power by 2030. In this paper, we provide a summary of key features of the ASSET software and results of the grid strength analysis for integrating 30 GW of offshore wind generation by 2030 in the U.S. Eastern Interconnection.

Automated System-wide Strength Evaluation Tool (AS↗

DOE OSTI2013

Management of the decommissioning of the Thetis reactor

The Thetis research reactor on the site of the Nuclear Sciences Institute of the Ghent University has been in operation from 1967 until December 2003. This light-water moderated graphite-reflected low-enriched uranium pool-type reactor has been used for various purposes e.g. the production of radioisotopes and activation analyses. During the first years its core power was 15 kW. In the early '70, a core enlargement allowed for operation at typically 150 kW, while the maximum was allowed to be 250 kW In September 2007, Ghent University entrusted to SCK-CEN the management of the back-end of the spent fuel and the decommissioning of the reactor. In 2010, the spent fuel was removed from the reactor and transported to Belgoprocess for cementation in 400 l drums and interim storage awaiting final disposal. This activity allows tackling the decommissioning of the reactor. The objective is to complete its decommissioning by the end of 2014. In the framework of the decommissioning of the Thetis reactor, SCK-CEN set-up the final decommissioning plan and the decommissioning licensing file. These documents include among others a radiological inventory of the reactor. The graphite moderator blocks, the control and the safety pates, the liner of the pool were modeled to assess the activation products (isotopic vector and intensity). At the end of the unloading of the reactor in 2010 a brief mapping of the equipment's and internals of the reactor pool was performed. In 2012, we realized a more detailed mapping. These results confirmed those performed earlier and allowed to confirm the assumptions made in the final decommissioning plan. We set-up the terms of reference for the first decommissioning phase of the reactor namely the dismantling of the reactor i.e. reactor pool, circuits and rabbit system, equipment's and ventilation ducts. The removal of asbestos is also included into this phase. We conducted the selection process and the awarding of this decommissioning job. We gained the decommissioning license in May 2012. We also prepared the software tool allowing managing the decommissioning project by updating the inventory and recording the progress, the characterization measurements and the material and waste production. This software allows also to trace all the material streams and to report to the Authorities. This software is a simplified release of the ones developed by SCK-CEN in the framework of other decommissioning projects like BR3 and Belgonucleaire. The dismantling of the reactor i.e. reactor pool, circuits and rabbit system, will be performed in 2013. In 2014, it is planned to map all the surfaces of the infrastructure to highlight residual contamination of floor, walls and ceiling. The contaminated surfaces will be decontaminated and controlled. The objective is to reach the free release of the reactor building and laboratories by the end of 2014. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Matlab Code for Multiscale Topology Optimization

This Matlab script implements a simple topology optimization algorithm that minimizes the compliance of a structure within a 3D prismatic design domain. It uses a simple linear elastic finite element solver to solve the equilibrium equations, and the optimality criterion (00) method to update the design iteratively. This functionality is identical to, or the simplest possible extension from 2D to 3D of, a 99-line Matlab code released in 2001 in a journal article by Sigmund. What is new in this code is our implementation of simple surrogate models for several truss micro-architectures, which converts this code to a multiscale design tool, whereas the original code is single-scale. The development of these surrogate models and their implementation is described in a journal article we intend to submit. We plan to include the full source code in an Appendix in this paper. The code’s primary function is as a pedagogical tool rather than as a finished software product. Sigmund’s 2001 paper describes the implementation line-by-line. We are including this updated version of the code to allow the reader to understand exactly what changes must be made to a “standard” topology optimization code to implement the surrogate models and thus multiscale design optimization.

Watts, Seth↗

DOE OSTI2026

Improving Performance via Energy Efficiency JUSTIFI: Open-Source Software for Identifying and Quantifying Non-Energy Benefits

Energy efficiency is pivotal to achieving operational excellence, as it enhances value while reducing waste. This presentation explores the integration of non-energy benefits (NEBs) into energy efficiency projects, which can lead to risk reduction, value creation, and cost savings. By quantifying NEBs - such as improved safety, decreased pollution, and increased productivity - companies can strengthen their business cases for energy investments, ultimately improving payback periods and aligning with strategic goals. Designed for a diverse audience, from trained auditors to novices in energy assessments, we have developed open-source software called JUSTIFI, NEB finding methodology, and training materials which build on existing frameworks and leverages resources from the U.S. Department of Energy and Better Plants energy system analysis software suite such as MEASUR. This work aims to maximize ROI through NEB identification, utilizing tools like JUSTIFI and the NEBs Discovery Protocol.

97 MATHEMATICS AND COMPUTING↗