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DUNE Software and Computing Research and Development

The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The ambitious physics program of Phase I and Phase II of DUNE is dependent upon deployment and utilization of significant computing resources, and successful research and development of software (both infrastructure and algorithmic) in order to achieve these scientific goals. This submission discusses the computing resources projections, infrastructure support, and software development needed for DUNE during the coming decades as an input to the European Strategy for Particle Physics Update for 2026. The DUNE collaboration is submitting four main contributions to the 2026 Update of the European Strategy for Particle Physics process. This submission to the 'Computing' stream focuses on DUNE software and computing. Additional inputs related to the DUNE science program, DUNE detector technologies and R&D, and European contributions to Fermilab accelerator upgrades and facilities for the DUNE experiment, are also being submitted to other streams.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The NASA ISRO SAR (NISAR) Mission - Validation of Science Measurement Requirements

The NASA ISRO Synthetic Aperture Radar (NISAR) is scheduled for launch early in 2024 from the Satish Dhawan Space Centre (SDSC), at Sriharikota, near Chennai, India. This mission is the result of a collaboration between NASA and Indian Space Research Organization (ISRO), where NASA has contributed elements of the mission such as an L-band SAR, and ISRO has contributed other elements, such as an S-band SAR. After successful launch, the NISAR mission will collect left-looking L-band SAR data over most of the Earth’s land areas twice during every 12-day exact repeat orbit. (once while in an ascending orbit direction and once while in a descending orbit direction). NASA and ISRO have individual and joint requirements on the mission that include the performance of the imaging radars onboard the spacecraft. For example, NASA must demonstrate that this L-band SAR will achieve a set of identified science measurement accuracy requirements that span Ecosystem science, Solid Earth science, and Cryosphere science disciplines. Likewise, ISRO has several applications objectives on both the L-band and S-band data from NISAR that the ISRO science team and project will be developing and testing. Pre-launch and post-launch activities have been planned to validate that these requirements are met. Here, we will discuss how the NASA plans are being executed and will present any initial results at the conference.

Chapman, Bruce↗

Dynamic Retrieval Augmented Generation of Ontologies using Artificial Intelligence (DRAGON-AI)

Ontologies are fundamental components of informatics infrastructure in domains such as biomedical, environmental, and food sciences, representing consensus knowledge in an accurate and computable form. However, their construction and maintenance demand substantial resources and necessitate substantial collaboration between domain experts, curators, and ontology experts. We present Dynamic Retrieval Augmented Generation of Ontologies using AI (DRAGON-AI), an ontology generation method employing Large Language Models (LLMs) and Retrieval Augmented Generation (RAG). DRAGON-AI can generate textual and logical ontology components, drawing from existing knowledge in multiple ontologies and unstructured text sources.We assessed performance of DRAGON-AI on de novo term construction across ten diverse ontologies, making use of extensive manual evaluation of results. Our method has high precision for relationship generation, but has slightly lower precision than from logic-based reasoning. Our method is also able to generate definitions deemed acceptable by expert evaluators, but these scored worse than human-authored definitions. Notably, evaluators with the highest level of confidence in a domain were better able to discern flaws in AI-generated definitions. We also demonstrated the ability of DRAGON-AI to incorporate natural language instructions in the form of GitHub issues.These findings suggest DRAGON-AI's potential to substantially aid the manual ontology construction process. However, our results also underscore the importance of having expert curators and ontology editors drive the ontology generation process.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

A Call to Arms Control: Synergies between Nonproliferation Applications of Neutrino Detectors and Large-Scale Fundamental Neutrino Physics Experiments (A Snowmass White Paper)

The High Energy Physics community can benefit from a natural synergy in research activities into next-generation large-scale water and scintillator neutrino detectors, now being studied for remote reactor monitoring, discovery and exclusion applications in cooperative nonproliferation contexts. Since approximately 2010, US nonproliferation researchers, supported by the National Nuclear Security Administration (NNSA), have been studying a range of possible applications of relatively large (100 ton) to very large (hundreds of kiloton) water and scintillator neutrino detectors. In parallel, the fundamental physics community has been developing detectors at similar scales and with similar design features for a range of high-priority physics topics, primarily in fundamental neutrino physics. These topics include neutrino oscillation studies at beams and reactors, solar, and geological neutrino measurements, supernova studies, and others. Examples of ongoing synergistic work at U.S. national laboratories and universities include prototype gadolinium-doped water and water-based and opaque scintillator test-beds and demonstrators, extensive testing and industry partnerships related to large area fast position-sensitive photomultiplier tubes, and the development of concepts for a possible underground kiloton-scale water-based detector for reactor monitoring and technology demonstrations. Some opportunities for engagement between the two communities include bi-annual Applied Antineutrino Physics conferences, collaboration with U.S. National Laboratories engaging in this research, and occasional NNSA funding opportunities supporting a blend of nonproliferation and basic science R&D, directed at the U.S. academic community.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

2021 Annual Site Environmental Report

This report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. The results of PPPL’s 2021 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2021. PPPL’s on-site operations were significantly curtailed in 2021 due to the global coronavirus pandemic. PPPL has engaged in fusion energy research since 1951. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world, and to developing the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2021. PPPL is engaged in a project to replace key NSTX-U components and systems to enable operation of this international fusion user facility. In 2021, PPPL’s radiological environmental monitoring program measured tritium in the air at the NSTX-U Stack and at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of an in-stack monitor located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for non-radiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2021, PPPL complied with permit limits for surface and sanitary discharges. PPPL was honored with awards for EPEAT-certified electronics purchasing and use of peracetic acid as an alternative water treatment chemical in its non-potable process water systems an NJDEP recycling award.

54 ENVIRONMENTAL SCIENCES↗

TRACER NASA Goddard Space Flight Center TOLNet Field Campaign Report

In September 2021, the National Aeronautics and Space Administration (NASA) deployed assets to the Houston, Texas region to measure air-quality-relevant constituents at high spatial and temporal resolutions. This effort was conducted in partnership with the Texas Commission on Environmental Quality, the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility-led Tracking Aerosol Convection interactions ExpeRiment (TRACER) field campaign, and several academic collaborators.

54 ENVIRONMENTAL SCIENCES↗

2022 Annual Site Environment Report, Princeton Plasma Physics Laboratory

This report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2022 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2022. PPPL’s on-site operations started to be restored in 2022, following curtailments in 2020 and 2021 for the global coronavirus (COVID-19) pandemic. PPPL has engaged in fusion energy research since 1951 and at its current locations since 1958. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world, and to develop the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2022. PPPL is engaged in a project to replace key NSTX-U components and systems to enable the operation of this international magnetic fusion user facility. In 2022, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for non-radiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2022, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council.

54 ENVIRONMENTAL SCIENCES↗

Princeton Plasma Physics Laboratory Annual Site Environmental Report for Calendar Year 2024

This report provides the US Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2024 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2024. PPPL has engaged in fusion energy research since 1951 and at its current locations since 1958. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the US and the world, and to develop the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2024. PPPL is engaged in a project to replace key NSTX-U components and systems to enable the operation of this international magnetic fusion user facility. In 2024, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for nonradiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2024, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council on July 25, 2024.

54 ENVIRONMENTAL SCIENCES↗

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

36 MATERIALS SCIENCE↗

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

13 HYDRO ENERGY↗

Baseline status of BOM instruments at Kennaook Cape Grim

When utilizing these data from Kennaook Cape Grim please acknowledge the Australian Bureau of Meteorology and the Commonwealth Scientific and Industrial Research Organisation (CSIRO) for their long-term and continued support of the Kennaook Cape Grim Baseline Air Pollution Monitoring Station. In addition, please contact the Lead Scientists responsible for the collection of these data sets (stuart.baly@bom.gov.au, melita.keywood@csiro.au, ruhi.humphries@csiro.au and Erin.dunne@csiro.au) to discuss collaboration and authorship opportunities.

54 ENVIRONMENTAL SCIENCES↗

Renewal: Coherent control of spin states in organic electronics – discovery and investigation of complex room-temperature magnetic quantum excitations

In the course of four funding cycles of this project, its research focused on the exploration and understanding of spin-dependent electronic processes in organic semiconductors. It aimed to investigate the potential of harnessing the spin degree of freedom in organic materials for various applications such as spin electronics, quantum information, sensors, and as well as quantum coherent spin phenomena of charge carrier states in organic semiconductors, with the aim to develop room-temperature-based quantum applications. Specifically, the project aimed to: Apply new diagnostic tools, i.e. spin spectroscopy techniques, for paramagnetic charge carrier states in organic semiconductors, based on coherent control with pulsed electron spin resonance to understand spin relaxation and spin mixing mechanisms in organic semiconductor materials and devices such as OLEDs. Explore the nature of charge carrier spin-coupling and pathways for its manipulation to control the physical behaviors of these materials. This involves investigating spin interactions through materials structure, composition, morphological dependencies, isotopic effects, and externally applied electric and magnetic fields, with the goal to manipulate electrical and optical material properties by adjusting spin-orbit, spin-dipolar, spin-exchange, as well as spin-hyperfine interactions to open up this materials class for new applications. Study spin-dependent charge carrier transport and recombination and how these observables are governed by spin-propagation, especially coherent spin propagation as well as collective spin-effects such as the spin-Dicke effect and resonant multi-photon magnetic dipole transitions. The project utilized pulsed electrically detected magnetic resonance (pEDMR) and pulsed optically detected magnetic resonance (pODMR) techniques over a wide frequency range. These techniques enabled the observation and quantification of various spin-spin coupling types, including spin-exchange, spin-dipolar, hyperfine, and spin-orbit interactions. The project will leverage low- to mid-frequency pEDMR/pODMR facilities and collaboration with the National High Magnetic Field Laboratory.

36 MATERIALS SCIENCE↗

Alvin Tollestrup (1924-2020): A Life in Science

Alvin Tollestrup was a physicist and engineer of uncommon insight, intuition, and ingenuity who was revered in life for his essential leadership in the development of superconducting magnets for high-energy accelerators. He exhibited a matchless mastery of what he called freshman physics — though his mastery hardly ended there — and an uncanny gift for joining careful measurements with transparent calculations to reveal the essence of a subject. To watch Alvin at work was to learn how a true scientist formulates and solves a problem. He had other gifts: a nose for significant problems in both science and technology, the ability to draw talented people to an important cause, and a mentor's instinct for spotting gifted junior colleagues and helping them to mature as engineers and scientists. He was also good company! Alvin brought his keen vision about what constitutes important science, along with powerful ambition for the institution and for fundamental science, to considerat ions about Fermilab's future. His questions were uniformly probing, his opinions unfailingly interesting, and his appetite for work consistently inspiring. Among Alvin's many contributions to experimental particle physics — in a career that spanned seven decades — the rich achievements of the Collider Detector at Fermilab Collaboration, of which he was a founder and an enduring leader, stand out. The discovery of the top quark in 1995 earned worldwide acclaim. He reaped individual accolades as well, including election to the National Academy of Sciences. The National Medal of Technology, conferred in 1989, recognized Alvin’s leading role in developing superconducting magnets for Fermilab's Tevatron. Universities Research Association created the Tollestrup Award for Postdoctoral Research, commemorating Alvin's avuncular support for young scientists. This volume celebrates Alvin Tollestrup’s career and the rich, fulfilling life he led beyond the laboratory. Contributions from colleagues and family illuminate many facets of this remarka! ble figure. May old friends savor the memory of the Alvin they knew, while discovering less-familiar parts of his history; and may readers who did not have the opportunity to know Alvin firsthand find inspiration in his exemplary life in science.

Palmer, Mark↗

The importance of recruitment and retention in Heliophysics: it’s not just a pipeline problem

A major obstacle in cultivating a robust Heliophysics (and broader scientific) community is the lack of diversity throughout science, technology, engineering, and mathematics (STEM) fields. For many years, this has been understood as a “leaky pipeline” analogy, in which predominately minority students initially interested in STEM gradually fall (or are pushed) out of the field on their way to a scientific research position. However, this ignores critical structural and policy issues which drive even later career Ph.D.s out of a career in Heliophysics. We identify here several systemic problems that inhibit many from participating fully in the Heliophysics community, including soft money pressure, lack of accessibility and equity, power imbalances, lack of accountability, friction in collaboration, and difficulties in forming mentorship bonds. We present several recommendations to empower research-supporting organizations to help create a culture of inclusion, openness, and innovative science.

79 ASTRONOMY AND ASTROPHYSICS↗

Report of the 2026 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

Scientific computing is undergoing rapid transformation as advances in artificial intelligence, heterogeneous computing, automation, and data-intensive research reshape not only computational tools but also the institutions, workforce models, and collaborative practices that support scientific discovery. This report synthesizes insights from the 2026 Workshop on Next-Generation Ecosystems for Scientific Computing, the second in a three-year series focused on strengthening scientific computing ecosystems through socio-technical co-design. Workshop discussions identified four interdependent strategic themes: software ecosystems for AI-enabled scientific discovery; trust, validation, and traceability; human-AI teaming and paradigm shifts; and workforce, pedagogy, and governance. The report translates these themes into eight priorities for community action spanning shared research infrastructure, trust and traceability, user experience, human-AI teaming, workforce development, cross-sector coordination, stewardship and sustainability, and evaluation of scientific value. Together, these priorities outline directions for building scientific computing ecosystems that remain trustworthy, sustainable, innovative, and resilient as AI assumes a growing role in scientific work.

AI↗

Mechanical and Light Activation of Materials for Chemical Production

Abstract Mechanical expansion and contraction of pores within photosynthetic organisms regulate a series of processes that are necessary to manage light absorption, control gas exchange, and regulate water loss. These pores, known as stoma, allow the plant to maximize photosynthetic output depending on environmental conditions such as light intensity, humidity, and temperature by actively changing the size of the stomal opening. Despite advances in artificial photosynthetic systems, little is known about the effect of such mechanical actuation in synthetic materials where chemical reactions occur. It is reported here on a hybrid hydrogel that combines light‐activated supramolecular polymers for superoxide production with thermal mechanical actuation of a covalent polymer. Superoxide production is important in organic synthesis and environmental remediation, and is a potential precursor to hydrogen peroxide liquid fuel. It is shown that the closing of pores in the hybrid hydrogel results in a substantial decrease in photocatalysis, but cycles of swollen and contracted states enhance photocatalysis. The observations motivate the development of biomimetic photosynthetic materials that integrate large scale motion and chemical reactions.

Đorđević, Luka [Department of Chemical Sciences Un↗

Constraints on the Parameterization of Convective Cloud Systems from Analyses of ARM Observations and Models

Anthony D. Del Genio has served as principal investigator since the inception of ASR in 2009 as co-chair of the Cloud Lifecycle Working Group (CLWG) and in connection with that as a member of the ASR Science and Infrastructure Steering Committee. In this role he has been intimately involved with oversight of existing and proposed ASR Focus Groups (Vertical Velocity, QUICR, Ice Properties) and thematic interest groups (Mesoscale Organized Convection, Warm Low Clouds, Mixed-Phase Clouds, MJO, Entrainment) whose activities fall under the purview of CLWG. The PI actively participates himself in the Mesoscale Organized Convection and MJO groups, is a Co-Investigator on two successfully implemented IOPs (AMIE, MC3E), and was an unfunded Collaborator on the recently completed FASTER project at BNL under the DOE Modeling Program. The PI has also spent the past three years as a member of the ARM Science Board, which reviews proposals to conduct IOPs at the permanent ARM sites and to deploy the ARM Mobile Facilities. Finally, the PI was a participant in the first ARM-European workshop in 2012 that eventually led to the creation of the SGP supersite concept. This report includes an annotated list of published research results.

54 ENVIRONMENTAL SCIENCES↗