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At least 235 records · Page 13

Exploring Future Storage Options for ATLAS at the BNL/SDCC facility

The ATLAS experiment is expected to deliver an unprecedented amount of scientific data in the High Luminosity(HL-LHC) era. As the demand for disk storage capacity in ATLAS continues to rise steadily, the BNL Scientific Data and Computing Center (SDCC) faces challenges in terms of cost implications for maintaining multiple disk copies and adapting to the coming ATLAS storage requirements. To address these challenges, the SDCC Storage team has undertaken a thorough analysis of the ATLAS experiment's requirements, matching them to suitable storage options and strategies, and has explored alternatives to enhance or replace the current storage solution. This paper aims to present the main challenges encountered while supporting big data experiments such as ATLAS. We describe the experiment's specific requirements and priorities, particularly focusing on the critical storage system characteristics of the high-luminosity run and how the key storage components provided by the Storage team work together: the dCache disk storage system; its archival back-end, HPSS; and its OS-level backend Storage. Specifically, we investigate a novel approach to integrate Lustre and XRootD. In this setup, Lustre serves as backend storage and XRootD acts as an access layer frontend, supporting various grid access protocols. Additionally, we also describe the validation and commissioning tests, including the performance comparison between dCache and XRootd. Furthermore, we provide a performance and cost analysis comparing OpenZFS and LINUX MD RAID, evaluate different storage software stacks, and showcase stress tests conducted to validate Third Party Copy (TPC) functionality.

99 GENERAL AND MISCELLANEOUS↗

Neutronics analysis of Full Size Plate–1 Experiment using MC21

Qualification and testing of Low Enriched Uranium fuel is desired so that it can be used in research reactors instead of High Enriched Uranium. The Full Size Plate - 1 (FSP-1) experiment involves irradiating a low enriched metallic fuel in the Advanced Test Reactor to assist in this general qualification. Prior to irradiation, an in-depth neutronics analysis is needed to ensure the safety requirements of the Advanced Test Reactor are met. To accomplish this, the MC21 software was used to analyze the FSP-1 experiment, which will allow a test run to be performed with this new fuel in the Advanced Test Reactor Critical facility. By verifying and validating the results of the MC21 software with comparisons to other codes and the preliminary irradiation in the Advanced Test Reactor Critical facility, the FSP-1 experiment will be ready to irradiate using the Advanced Test Reactor. This work is concerned with the neutronics analysis of the FSP-1 experiment using the MC21 software.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multimodal Deep Learning for Flaw Detection in Software Programs

We explore the use of multiple deep learning models for detecting flaws in software programs. Current, standard approaches for flaw detection rely on a single representation of a software program (e.g., source code or a program binary). We illustrate that, by using techniques from multimodal deep learning, we can simultaneously leverage multiple representations of software programs to improve flaw detection over single representation analyses. Specifically, we adapt three deep learning models from the multimodal learning literature for use in flaw detection and demonstrate how these models outperform traditional deep learning models. We present results on detecting software flaws using the Juliet Test Suite and Linux Kernel.

97 MATHEMATICS AND COMPUTING↗

Towards Acceptance Testing at the Exascale Frontier

At the 2007 Cray User Group meeting, the Oak Ridge Leadership Computing Facility (OLCF) introduced the OLCF Test Harness (OTH), a framework[1] used for acceptance testing of the Jaguar supercomputer[2]. Since then, the OTH framework has evolved to version 2.0 which adds new features and streamlines usability. The OTH is the key piece of software used to orchestrate acceptance testing for all OLCF computational resources before they are deployed for production use, including our leadership class high performance computing (HPC) systems. The OTH framework is written in Python and is publicly available[3].In this paper, we first describe the requirements, design, and structure of the OTH. Then, we present specific improvements developed to support acceptance testing of the OLCF’s Summit system[4]. We will also showcase new OTH features that have been added to streamline the acceptance test process as well as the motivation behind those changes. As part of this work, we also evaluated different workflow tools in order to determine whether these tools could complement the OTH in two key areas: automation and reporting. The advantages and disadvantages identified with each tool will be discussed. Lastly, we summarize the challenges and lessons learned collected from using the OTH for the acceptance of the last three flagship systems at the OLCF. These may be useful for other HPC centers developing their own testing frameworks or those interested in using the OTH.

Melesse Vergara, Veronica↗

Fiscal Year 2023 Software Quality Assurance Activities for the ARC Software

The Argonne Reactor Code (ARC) software suite [1-17] has been developed by Argonne researchers for fast reactor design and analysis since the 1970s. With the ARC software suite, a user can quickly build a model of a proposed or existing fast spectrum reactor and carry out fuel cycle, nominal thermal analysis and flow requirements, and assess, as is appropriate, whether the core design and constraint system yield an acceptable mechanical behavior. For transient reactor analysis with SAS4A [18], the ARC software suite can be used to generate reactivity coefficients and kinetics parameters at any modeled fuel cycle time point which forms part of the input to SAS4A. The ARC suite was consistently being developed until the 1990s and followed a software QA program which was an appropriate standard for the time. In the 1990s, the DOE funding to fast reactor research and development was all but eliminated and the ARC software was put into maintenance mode. In the early 2000s, the software quality assurance (SQA) program for ARC was still in place to define an official version, but by 2005 it all but was abandoned as there were insufficient staff to fill the work roles. Since 2005, there has been a considerable increase in research and design work on fast spectrum reactors. The ARC software as a whole has since been exported to many universities and commercial companies and ANL support has been given to the various projects over the years [19-23]. Further, MC 2 -3, PERSENT, and DASSH were all developed after 2005 without any adherence to a software standard. In recent time, the DOE VTR project [22] paid for verification work to be done on the ARC software as part of the goal of making it NQA-1 complaint. The VTR project was not considered the appropriate pathway to fund and maintain a SQA program for the ARC software and while software developments (DASSH) were made and several manuals were updated and software verification work was carried out, the ARC software is not NQA-1 compliant. More recently the Advanced Reactor Development Program (ARDP [23]) has funded the creation of manuals for some ARC utility programs and funded additional software verification work on DIF3D [6, 7] and MC 2 -3 [2-5] for the purpose of commercial grade dedication. Because of the VTR and ARDP projects, software verification work was completed on MC 2 -3 and DIF3D, and detailed reports were created for each piece of software, which discuss the inputs and outputs from the codes that are covered by the verification work and link various analytic, code-to-code, and hand calculation based verification work presented in the report with verification test problems provided with the software. This is a key part of the commercial grade dedication work and constitutes the bulk of the cost to get the ARC software to commercial grade. The ARC software suite is a valuable asset as a fast reactor design and analysis tool set that has been reasonably well verified and validated with various fast reactor benchmark problems and experiments over decades. Some or all of the ARC software suite has been utilized for designing the IFR [20], PGSFR [21], VTR [22], and Natrium [23] reactors and we can expect it to continue to be used for advanced fast reactor design and/or confirmatory calculation purposes in the future. Due to increased interest by commercial companies and regulatory bodies, it is becoming more important to make the ARC software suite complete and ready-to-use in terms of its SQA pedigree and commercial grade dedication needs. This report discusses the achievements made towards building a new SQA program for the ARC software and dealing with outstanding identified QA gaps.

97 MATHEMATICS AND COMPUTING↗

Providing a Flexible and Comprehensive Software Stack Via Spack, an Extreme-Scale Scientific Software Stack, and Software Development Kits

To manage the complex demands of modern high-performance computing (HPC), software applications increasingly depend on software developed by other teams, often at other institutions. An HPC software ecosystem approach is required to support dependencies on third-party scientific software. An ecosystem approach provides layers of activity above the individual software product level that promote interoperability, quality improvement, porting, testing, and deployment. The U.S. Exascale Computing Project (ECP) developed its HPC software ecosystem using a three-pronged approach. First, the ECP adopted and invested in Spack, a package manager designed to handle complex HPC package dependencies. Second, the ECP created the Extreme Scale Scientific Software Stack, an effort that supports developing, deploying, and running scientific applications on HPC platforms. Third, the ECP supported software product communities, or software development kits, to develop and promote best practices, improve software interoperability, and other collaborative efforts. This article describes ECP contributions to HPC software ecosystem challenges.

97 MATHEMATICS AND COMPUTING↗

Ghidra Galore

SAND2025-00232O Ghidra Galore is a software tool that provides a test harness for running an analysis script in multiple versions of Ghidra, an open-source binary disassembler, using Docker. It allows users to understand how different versions of Ghidra evolve over time by analyzing a corpus of input files. The software includes a Python script that wraps the Docker functionality, simplifying the process of running the analysis script across different Ghidra versions. 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.

Crussell, Jonathan [Sandia National Lab. (SNL-CA),↗

Software Quality Assurance Plan ANSYS LSDYNA Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic and electromagnetic simulation capabilities. ANSYS LS-DYNA is the most used explicit simulation program capable of simulating the response of materials to short periods of severe loading. Its many elements, contact formulations, material models, and other controls can be used to simulate complex models with control over all the details of the problem. ANSYS LS-DYNA has a vast array of capabilities to simulate extreme deformation problems using its explicit solver. Engineers can tackle simulations involving material failure and look at how the failure progresses through a part or through a system. Models with large amounts of parts or surfaces interacting with each other are also easily handled, and the interactions and load passing between complex behaviors are modeled accurately. Using computers with higher numbers of CPU cores can drastically reduce solution times. In addition, many consulting firms and hundreds of universities use ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. ANSYS has successfully passed over 100 customer quality system audits against American Society of Mechanical Engineers (ASME) NQA-1 and 10 CFR Part 50, Appendix B, since the company was founded, over 60 of which have been since 1997. ANSYS has successfully passed over 100 International Organization for Standardization (ISO) 9001 assessments. ANSYS design analysis software is the first created within a quality system with ISO 9001 certification, which is the internationally accepted quality standard. Product development, testing, maintenance, and support processes also meet the US Nuclear Regulatory Commission’s (NRC’s) quality requirements, as they have for nearly four decades. ANSYS staff perform more than 60,000 software verification tests before releasing each new product. ASME NQA-1-2012 (Subpart 2.7 is specific to software) is the industry- and NRC-accepted approach (consensus standard) for meeting 10 CFR Part 50, Appendix B, requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

MaPSA Quality Control and AI-Enhanced Grading For the CMS Phase-II Tracker Upgrade

The Compact Muon Solenoid (CMS) experiment will undergo changes as part of the Large Hadron Collider upgrade. The CMS tracker will be upgraded to cope with the new radiation environment and to provide tracking at the first level trigger. This upgrade features a new type of silicon module called PS Module, which combines a Pixel sensor and a Strip sensor in the same module. The pixel portion of the PS module has a sensor bump bonded to 16 Macro Pixel ASICs (MPA) to form a Macro Pixel Sub Assembly (MaPSA). At Fermilab, MaPSAs are tested for quality control before being assembled with the strip sensors, readout and service electronics to form a PS Module. All of this test data is stored in a centralized database, and is used to grade the final module to determine if it will be installed in the detector. The Phase II Outer Tracker Analyzer of Test Outputs (POTATO) is the software that processes this data and determines the module grades. Using recent technologies, an AI agent is being im plemented into POTATO in order to allow users to more efficiently sort through the large amounts of analysis data and ensure that only the user specified data is being considered. This poster will display the process of testing a MaPSA, how that test data is relevant to module assembly and grading, and how the POTATO grading tool is being improved with the use of an embedded AI agent.

Gzamouranis, Olivia [Purdue U.]↗

Modeling the U.S. Western Electric Interconnection to Understand the Consequences of Hydrometeorological Extremes and Options for Risk Mitigation

Electricity grid operators around the world face a dual challenge; withstanding increasingly severe weather and the longer term impacts of climate change, while simultaneously decarbonizing. Extreme weather events such as heat waves and droughts are rising in both severity and frequency, which is threatening the reliability of electricity grids through increased demand, generation capacity losses, and equipment failures. Consequently, incorporating hydrometeorological stressors into computational power systems analysis is becoming an even more critical tool in long term planning and short term operations. However, there is a general lack of open-source customizable grid simulation software capable of exhaustively stress testing the grid under hydrometeorological uncertainty, and/or examining potential risk mitigation pathways. A related, persistent challenge for power system modelers is striking an appropriate balance between model fidelity (e.g. spatial scale and time resolution) and computational tractability (wall clock run-time). In this study, we are proposing a solution to this problem with open-source software that allows users to seamlessly customize the scale and track the accuracy of grid operations models. Our approach allows users to search over numerous model parameters (network topology, mathematical formulation, economic hurdle rates, and transmission line scaling) to identify model instantiations that accommodate experimental design. Further, we use this approach to demonstrate the importance of including extreme weather events in model validation and model selection. Focusing on the occurrence of heatwaves and droughts in the U.S. Western Interconnection, we examine role of extreme events in balancing tradeoffs between model fidelity and run-time at the model design stage.

Economics↗

Verification of Spent Fuel Inside Dry Storage Casks by Cask Top Fast Neutron Mapping (FY2023 Mid-Year Report)

This project is developing a prototype scanner array verification system for detection of missing fuel assemblies in spent-fuel storage casks. The prototype consists of six fast-neutron scintillator detectors mounted to a linear actuator frame that is placed on the top of a spent fuel cask to scan across all fuel assembly positions. The scanner array was assembled and tested at LLNL in FY2022. A field test schedule has been requested at the Idaho National Laboratory (INL) Cask Farm site for FY2023. Note that the Cask Farm contractor determines this scheduling and not INL directly. Further system automation will be designed and implemented with the goal of obtaining a level of system operation that meets IAEA needs. This includes integration of the scanner array and data-acquisition control software into a single interface for operator use. In addition, commercial operators and the IAEA may have special requirements for portability, shipping, lifting, and installation. Prior to the Field Test at INL, the system will be operated at LLNL to exercise lifting procedure and linear actuators, monitor stability of detector energy and pulse-shape discrimination calibration, and test system software integration efforts. Following the Field Test, we will present results and discuss the technology with the IAEA. We will incorporate additional improvements to the system based on lessons learned from the field test and feedback from the IAEA. If successful, the technology can be transferred to the IAEA or other stakeholders for assessment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Verification of EvaluateFLux Utility Program

The EvaluateFlux program is a post-processing utility program for DIF3D, specifically DIF3D-VARIANT which handles Cartesian and hexagonal geometries. The EvaluateFlux program was developed to allow users to obtain flux and power traverses through the geometry domain, and its initial purpose was to facilitate foil analysis by evaluating the flux solution from DIF3D-VARIANT and combining it with foil cross section data. The EvaluateFlux program can calculate the neutron flux, as well as the reaction rates, at any user provided evaluation point. It does this by identifying the spatial mesh associated with the evaluation point and then evaluates the polynomial based neutron flux moments stored in the NHFLUX file at that point. The output of EvaluateFlux varies depending on the input setup. The maximum output includes the neutron flux and microscopic and macroscopic reaction rates at each evaluation point. The purpose of this work is to verify the outputs of EvaluateFlux. Simple models that have hand calculatable results are first defined and used to verify the EvaluateFlux outputs. More complex cases are then added where a duplicate program of EvaluateFlux that uses PrintTables outputs of the binary files is used to verify the EvaluateFlux outputs. In those complex cases, hand calculations of selected evaluation points were also displayed to confirm the software verification. For all the tests done, the hand calculations agreed well with those calculated by EvaluateFlux. For the larger complex problems, the duplicate program that can process hundreds of evaluation points was able to identify that zero points within some meshes have large errors. This aspect was attributed to the truncation error on the input provided to the duplicate program and is not a concern for the accuracy of the EvaluateFlux software.

97 MATHEMATICS AND COMPUTING↗

Verification of the EvaluateFlux Utility Program

The EvaluateFlux program is a post-processing utility program for DIF3D, specifically DIF3D-VARIANT which handles Cartesian and hexagonal geometries. The EvaluateFlux program was developed to allow users to obtain flux and power traverses through the geometry domain, and its initial purpose was to facilitate foil analysis by evaluating the flux solution from DIF3D-VARIANT and combining it with foil cross section data. The EvaluateFlux program can calculate the neutron flux, as well as the reaction rates, at any user provided evaluation point. It does this by identifying the spatial mesh associated with the evaluation point and then evaluates the polynomial based neutron flux moments stored in the NHFLUX file at that point. The output of EvaluateFlux varies depending on the input setup. The maximum output includes the neutron flux and microscopic and macroscopic reaction rates at each evaluation point. The purpose of this work is to verify the outputs of EvaluateFlux. Simple models that have hand calculatable results are first defined and used to verify the EvaluateFlux outputs. More complex cases are then added where a duplicate program of EvaluateFlux that uses PrintTables outputs of the binary files is used to verify the EvaluateFlux outputs. In those complex cases, hand calculations of selected evaluation points were also displayed to confirm the software verification. For all the tests done, the hand calculations agreed well with those calculated by EvaluateFlux. For the larger complex problems, the duplicate program that can process hundreds of evaluation points was able to identify that zero points within some meshes have large errors. This aspect was attributed to the truncation error on the input provided to the duplicate program and is not a concern for the accuracy of the EvaluateFlux software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

UQpy v4.1: Uncertainty quantification with Python

This paper presents the latest improvements introduced in Version 4 of the UQpy, Uncertainty Quantification with Python, library. In the latest version, the code was restructured to conform with the latest Python coding conventions, refactored to simplify previous tightly coupled features, and improve its extensibility and modularity. To improve the robustness of UQpy, software engineering best practices were adopted. A new software development workflow significantly improved collaboration between team members, and continuous integration and automated testing ensured the robustness and reliability of software performance. Continuous deployment of UQpy allowed its automated packaging and distribution in system agnostic format via multiple channels, while a Docker image enables the use of the toolbox regardless of operating system limitations.

97 MATHEMATICS AND COMPUTING↗

Assessment of Different Approaches for Measuring Shear Fracture Appearance in Charpy Tests

In this work, different approaches for establishing shear fracture appearance (SFA) on tested Charpy specimens were assessed and compared, namely (in order of increasing expected accuracy) estimates based on characteristic forces from instrumented Charpy tests, optical measurements using image analysis software, and measurements performed with the aid of a scanning electron microscope. Comparisons between different SFA values for 129 instrumented Charpy tests currently included in the National Institute of Standards and Technology database allowed us to establish the relationships between the different available approaches and formulate recommendations for the revision of the standards ASTM E2298-18, Standard Test Method for Instrumented Impact Testing of Metallic Materials, and ISO 14556:2015, Metallic Materials — Charpy V-Notch Pendulum Impact Test — Instrumented Test Method, which currently provide four empirical correlations that can be used to estimate SFA.

36 MATERIALS SCIENCE↗

Predicting Deformation of Parts from HP Printers due to Sintering with Modeling and Simulation (CRADA NFE-18-07363)

This work proposes to leverage Oak Ridge National Laboratory’s (ORNL) sintering simulation software developed at the Manufacturing Demonstration Facility to 1) investigate the deformation of sintered parts and 2) to develop fast surrogate-based optimization methods for HP Inc. This includes the development of ORNL’s software on HP systems, integration and testing with HP part geometries and material properties, the development of surrogate models based on the results of the simulation, and modifications to the software based on feedback from HP. The expected impacts of this work are a drastic reduction in print costs, an increase in printer throughput, and the identification of novel, possibly exotic materials for 3D printing. This work will also decrease the time to market for HP’s print technology by decreasing the amount of resources and type dedicated to physical testing.

42 ENGINEERING↗

Simulation of DWPF Chemical Process Cell Using a Reaction Calorimeter

The Defense Waste Processing Facility (DWPF) converts liquid radioactive waste into glass using a Sludge Receipt Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) in addition to other processes. The SRAT and SME processes can be simulated on a small-scale using the Mettler-Toledo Reaction Calorimeter (RC1). This equipment is able to automate the execution and monitoring of experiments involving nonradioactive chemical simulants. During the chemical processing of sludge in the SRAT process, foam begins to form and can foam over the reaction vessel. The current antifoam used at DWPF creates a risk of increased flammability and has a limited pH range. Usually, mercury is circulated back into the reaction vessel during the SRAT process, making it difficult to remove. To combat foam over, novel antifoams will be tested during the boil-up process using the RC1. To improve mercury extraction, 3D-printed coalescer columns will be tested within the Mercury Water Wash Tank (MWWT) of the RC1. Testing of Simulant Sludge Batch 6 (SB6) was performed to ensure: the sludge would form a stable foam at boiling during full SRAT/SME runs; the antifoam would reduce the amount of foam within the vessel The sludge and a Precipitate Reactor Feed Tank (PRFT) simulant with monosodium titanate (MST) were mixed separately, combined, and then heated to boiling. As shown below, the antifoam used was able to eliminate the foam within the vessel, as expected. The FormLabs Form2 3D Printer can be used to create roughly 3-inch tall and 1-inch diameter columns from clear and ceramic resins. The columns will utilize chemical and physical forces to draw the mercury out of a condensed offgas stream leaving the RC1 reaction vessel. These columns will be tested during full SRAT/SME runs on the basis of how well they are able to collect elemental mercury. In preparation for full-scale runs, the RC1 equipment was assembled onto a custom table and tested with water runs. The software used to control automation, iControl, has a user-friendly interface that allows the experiment to be altered as needed. An example of the data recorded during an experimental run is represented in Figure 1 below. Water runs were utilized as a way to prove if the RC1 system was functioning in the following areas: Boil-up rates, Chemical additions using pumps, Temperature readings, Balance readings, Probe readings, Offgas system, Agitation. Future Plans: Five novel antifoams will be tested during full SRAT/SME runs. The most effective antifoam will be utilized in DWPF's Chemical Process Cell. The design of the Mercury Extraction Coalescer can be further manipulated to increase the extraction of not only elemental mercury, but other heavy metals in environmental remediation processes as well.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process uses sampling to select equipment for functional acceptance testing when large quantities of equipment are present. Although this approach is generally effective in identifying wide-spread issues, it has several shortcomings: it fails to evaluate equipment not included in the sample, provides only a one-time validation of equipment operation, and the standard documentation is a simple checklist of pass/fail questions. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. This presentation highlights the advantages offered by automated functional testing in this critical laboratory setting: (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with Connected Commissioning and the important conversations with key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗