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NEAMS Technical Area Support in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities outlined in this report include addition of Times and Positions systems, redesign of mechanical contact constraints to enable the augmented Lagrange algorithm, overhaul of the restart system, and incorporation of p-refinement in MOOSE.

97 MATHEMATICS AND COMPUTING↗

NEAMS-Multiphysics MOOSE End Year Framework Activities FY20

The Multiphysics Object Oriented Simulation Environment (MOOSE) is a general finite element package meant for high performance solution of multiphysics problems in science and engineering. In this report, we present additions and enhancements to MOOSE funded by the Nuclear Engineering Advanced Modeling and Simulation (NEAMS) program. NEAMS-funded MOOSE framework library improvements include: expansion of support for multi-level multi-application restart; enhancement of coupling between native MOOSE applications and external libraries; addition of a sparse automatic differentiation (AD) container enabling non-local degree of freedom coupling; block-specific quadrature rules; further development of an eigenvalue executioner; faster setup of periodic boundary conditions; and creation of a mesh meta-data system streamlining simulation startup. Besides developing the framework library, NEAMS funds were used to overhaul a swath of important MOOSE infrastructure in order to substantially improve user experience. These critical infrastructure changes included adapting MOOSE to python 3, improving the test harness to catch race conditions, and most importantly transitioning MOOSE to use Conda, a globally known packaging system, that greatly eases software adoption.

97 MATHEMATICS AND COMPUTING↗

Developing an Ultra-Compact, Topology-Optimized Heat Exchanger using Additive Manufacturing

Traditional heat exchanger designs have relied on a plate-fin architecture, assembled in a crossflow configuration. These HX designs are limited in their maximum allowable temperature and, therefore, efficiency. More advanced designs, such as those containing counter-flow, microtube cores, can yield higher efficiencies, but generally require complex headers. The design of such headers is usually determined based on user experience rather than on rigorous design tools, which can lead to lossy architectures; conventional headers can generate up to 50% of the total pressure loss through the HX. Furthermore, the consequences of manufacturing techniques are rarely considered during the design phase. Our team has developed an ultra-compact, topology-optimized heat exchanger capable of operating in environments with temperatures and pressures up to 800°C (1472°F) and 250 bar (3626 psi), respectively. Throughout the program, the team leveraged extensive additive manufacturing research and experience in supercritical carbon dioxide (sCO 2 ) power generation experience to develop and commercialize the technology. The final power density numbers for the subscale and full-scale heat exchangers are >15 kW/kg and >50 kW/L, which includes the core and the headers. The team has involved the RTX business units, notably Collins Aerospace, in discussions for commercializing the technology.

20 FOSSIL-FUELED POWER PLANTS↗

Future of End-User Support

IT Service Management (ITSM) is an inimitable, ever-changing practice that is critical to all far-reaching organizations, including Sandia National Laboratories. With recent developments in technology and society – spurred by major events like the advent of ChatGPT and the pandemic – it is as important as ever to consider the implications and opportunities for ITSM. This report strategically synthesizes existing information about ITSM structures and examines the current state of Sandia’s service management entity: CCHD. Then, it looks at the emerging state of the world, culminating in CCHD-tailored recommendations for continual service improvement (CSI). Ultimately, the biggest matters to address are staff tenure, ticket documentation, and self-service facilitation. The next step might be to introduce AI to service channels in a non-system-invasive manner, namely a chatbot on the main CCHD page. All would serve to enhance end-user experiences, and by proxy Sandia’s output.

97 MATHEMATICS AND COMPUTING↗

NEAMS Technical Area Support in MOOSE

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and other new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities outlined in this report include enabling selective polynomial basis refinement, implementing a custom convergence system, building a scalable preconditioner for saddle-point problems, and much more.

97 MATHEMATICS AND COMPUTING↗

Increased accuracy of multiphysics simulations through flexible execution, transient algorithms, and modular physics

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple time integrators in the same input file, initial design of framework Components, an input file Application block, extension of NetGen to 3D geometries in MOOSE, and deployment of executors in the multi-system paradigm. These five additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗

Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows

The 2024 Workflows Community Summit report presents the outcomes of a three-day international gathering that brought together 109 experts from 18 countries to discuss future trends and challenges in scientific workflows. The summit focused on six key areas: time-sensitive workflows, convergence of AI and HPC workflows, multi-facility workflows, heterogeneous HPC environments, user experience and interfaces, and FAIR computational workflows. Discussions highlighted emerging challenges such as integrating AI with traditional HPC, managing workflows across diverse facilities, addressing heterogeneity in computing environments, and ensuring workflows are findable, accessible, interoperable, and reusable (FAIR). The report outlines recent advances, ongoing challenges, and provides recommendations for each topic area, emphasizing the need for standardization, improved interoperability, and the development of more sophisticated tools and frameworks to support the evolving landscape of scientific workflows in the era of exascale computing and AI integration.

97 MATHEMATICS AND COMPUTING↗

Usability and Optimization Improvements in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple nonlinear systems in the same input file, implementation of generic field transfers and other transfer system enhancements, support for stateful material property redistribution for adaptivity and distributed meshes, and dynamic linking and loading of individually compiled applications. These four additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗

Unraveling the Noise: An Investigation Plan for Signal Interference in Hearing Aids

Bluetooth Low Energy (BLE) has revolutionized the performance of hearing aids with functionalities like seamless audio streaming and enhanced auditory functions. However, BLE operates within the highly congested 2.4 GHz frequency band, making it susceptible to signal interference that can degrade performance, reduce audio quality, and impact user experience. This paper documents interference patterns in BLE communication and introduces practical mitigation techniques aimed at improving the reliability of hearing aids. Attack vectors associated with Bluetooth enabled hearing aids include communication jamming, the interception of data between target devices, and GATT handle exploitation. Attackers could also use the vulnerabilities to block communications or intercept sensitive audio streams, posing significant security and privacy risks. These threats compromise two critical components of the CIA triad: (1) availability, by causing persistent connectivity issues, and (2) integrity, by enabling unauthorized data modifications. It is necessary to deal with these problems to ensure hearing aids work well and safely. This study investigates the impact of BLE signal interference on hearing aids, using tools such as HackRF [1], a Python tool to simulate interference scenarios, and Ubertooth [2] to sniff Bluetooth traffic between hearing aids and the device with the application. This paper investigates testing of BLE traffic in search of specific interference patterns that would impact the functionality of hearing aids, including jamming and flooding. This research focuses on developing robust mitigation techniques with the aim of securing BLE-enabled hearing aids against those vulnerabilities.

Baldwin, David [Savannah River National Laboratory↗

Oak Ridge National Laboratory Neutron Spin Echo Beamline on NB-2

Neutron Spin Echo (NSE) spectroscopy uniquely measures the Q-dependence of slow relaxation dynamics, and having such a machine at HFIR will advance polarized neutron spectroscopy and promote the study of biophysical and energy materials using neutrons. The 2018 Instrument Advisory Board (IAB) advises Neutron Sciences Directorate, ORNL to upgrade the cold neutron delivery system at HFIR, addressing geometrical challenges in neutron transfer from the bright cold source. This is being optimized now: the entrance to the guide system is moving closer to the source, and more guides are being added. However, there are still significant challenges to making the cold flux at the sample world-class. With the proposed guide system, NB-2 can deliver more than 10 6 polarized neutrons per cm 2 /sec below 8Å, and probably 10Å with further optimization. With no potential for running user experiments with neutrons longer than 15Å, the utility of such a machine for biological studies is limited. However, there is a large demand for this class of spectrometer in materials science, chemical engineering, and nanotechnology. Workshops held over the past decade and the three-source vision have highlighted the community's need for a low-angle, high-energy resolution spectrometer at HFIR. A detailed design study of this spectrometer is needed, focusing on optimizing the neutron delivery system for SANS-type studies. This neutron spectrometer would complement studies already performed on both SNSNSE and BASIS by overlapping and extend the dynamic range accessible, while acknowledging the proposed machine, EXPANSE, at the Second Target Station. Two technologies currently exist for such a spectrometer: traditional DC solenoids like those on BL-15 at SNS and IN15 at the ILL, and RF-flipper-based machines similar to RESEDA at FRMII. Either instrument would satisfy the scientific justification. However, there are strong business and scientific cases to utilize the thermal flux, the resonant expertise developed at ORNL, and the potential to utilize an entangled beam of neutrons to probe quantum matter by adopting the neutron resonant spin-echo configuration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An AI-Enabled Chat Bot for DuraMAT

The DuraMAT Data Hub has evolved to meet the ever expanding research demands by integrating a chatbot interface that enhances FAIR compliance and simplifies discovery across our growing archive of projects and datasets. With the Data Hubs increasing use by both consortium researchers and the international community, traditional navigation methods have become unwieldy. Building on last year's feasibility study, we now report the successful implementation of the chatbot system, detailing its architecture and demonstrating its ability to deliver a more intuitive and rewarding user experience.

14 SOLAR ENERGY↗

Development of Hydropower Biological Evaluation Toolset (HBET): V2.1.9 Release Notes for HBET

The following release notes reflect changes made to HBET for proposed changes to be released in July 2024. Notes are broken up into three sections: 1) Key Improvements, 2) Bug Fixes, and 3) Data Changes • Key Improvements: primary features added and changes to existing features that affect the user experience. • Bug Fixes: Issues discovered or reported that were fixed in the proposed work to be released. • Data Changes: Any work done on the databases directly or the process to calculate data for the system.

13 HYDRO ENERGY↗

DuraMAT Data Hub

The DuraMAT Data Hub has been supporting the consortium for the past six years. The Data Hub has had success in supporting the projects, providing a platform for sharing data within projects and to the public, and learning how to better leverage the existing software platform and the available Amazon Web Services environment. During this new generation of the Data Hub, we are looking at ways to help improve the data hub architecture, user experience, and improve operations by taking advantage of new technology platforms and software that will be more impactful on the consortium researchers and the broader scientific community. In this poster we will look at the current operational capabilities, data dissemination, and development that will improve the system in the near and far future.

14 SOLAR ENERGY↗

Investigating the Future of Scientific Data Search [Slides]

Searching for usable, actionable, data in a trustworthy manner is a challenge across scientific communities. Artificial Intelligence (AI) and Machine Learning (ML) techniques may be leveraged to increase the utility of scientific data by: Demystify unstructured data to aid curation & sharing Surfacing hard to find datasets. User Experience (UX) Research can help uncover scientists needs & challenges finding data and using AI/ML enabled tools.

97 MATHEMATICS AND COMPUTING↗

Improvements to MOOSE user workflow through polyhedral elements, automation, and concise physics syntax

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE's broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of NEAMS tools and includes: addition of support for polyhedral elements, incorporation of mesh smoothers for mesh repair, integration of the Physics and ActionComponents systems, expansion of the Convergence system, and exploration of automated input file generation. These five areas of development are fundamental capabilities that will be leveraged by many NEAMS applications.

97 - MATHEMATICS AND COMPUTING↗

ChargeX OCPI Recommendations

The Open Charge Point Interface (OCPI) is an open protocol that enables electric vehicle (EV) charging systems to work together across networks. It supports communication and data sharing between Charge Point Operators (CPOs), who manage charging stations, and e-Mobility Service Providers (eMSPs), who provide charging services to EV drivers. OCPI facilitates functions like user authorization, remote charge point control, charging session data exchange, and billing through Charge Detail Records (CDRs). This allows EV roaming, so drivers can charge at different networks without multiple accounts. As the EV market grows due to increased adoption and technological advancements, OCPI faces higher demands. This has revealed issues with CDR format consistency, timestamp standardization across regions, transmission of EV-side error codes for troubleshooting, and support for new use cases. These challenges can affect operations and user experience, particularly as the industry starts considering Vehicle-to-Grid (V2G) systems, where EVs supply energy to the grid, and Vehicle-to-Everything (V2X) technologies for broader energy interactions. Using feedback from the ChargeX Diagnostics taskforce discussions, industry 1-on-1 meetings, technical standards, and OCPI’s evolution through versions (e.g., OCPI 2.1.1, 2.2, and 2.2.1), this report identifies these issues and suggests practical recommendations. These aim to improve interoperability, streamline operations, and prepare OCPI for future trends in the EV charging ecosystem.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗

NEAMS Technical Area Support in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and other new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities outlined in this report include implementing hash table matrix assembly for efficient sparsity pattern construction for contact in BISON, developing re-step testing infrastructure for ensuring the viability of overlapping domain coupling between SAM and Pronghorn, allowing unique preconditioners for single-input multi-system solves, supporting multi-system in MOOSE’s workhorse executioners, and many more smaller feature enhancements and bug fixes.

97 - MATHEMATICS AND COMPUTING↗

REDESIGNING A PERFORMANCE MONITORING SOFTWARE FOR SUPERCOMPUTERS

The objective of this project was to improve upon the existing Watchr software that charts performance test metrics from the Trilinos project run on supercomputers at Sandia and elsewhere across the DOE complex. Software was iteratively designed and developed using Python Pandas and Dash data visualization to improve the extensibility and user experience of Watchr. Documentation is being maintained for future developers who want to extend the application.

Camacho, Dane Joseph [Sandia National Laboratories↗