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North Dakota Integrated Carbon Storage Complex Feasibility Study. Final report

In spring 2017, the Energy & Environmental Research Center (EERC) initiated an effort to determine the feasibility of developing a commercial-scale CO 2 geologic storage complex able to store 50+ million tonnes (Mt) of CO 2 in central North Dakota safely, permanently, and economically. The objective was to fulfill the goals of the U.S. Department of Energy (DOE) Carbon Storage Assurance Facility Enterprise (CarbonSAFE) Initiative and address technical and nontechnical challenges specific to commercial-scale deployment of a CO2 storage project. The findings clearly show that the concept of capturing CO 2 from a lignite-fired electrical generation facility in central North Dakota and safely and permanently storing the CO 2 in the deep subsurface is indeed technically, economically, and socially feasible. This project evaluated two study areas and their respective geologic storage complexes located adjacent to separate coal-fired facilities in North Dakota: the Basin Electric Power Cooperative (BEPC)-owned Great Plains Synfuels Plant (GPSP) and the Minnkota Power Cooperative (Minnkota)-owned Milton R. Young Station (MRYS). These locations, one with CO 2 capture in place and an existing CO 2 pipeline, are bolstered by progressive North Dakota pore space ownership and long-term liability laws. These elements and a motivated team created an ideal synergistic scenario for ensuring success of the CarbonSAFE Initiative and promoting North Dakota’s statewide vision for carbon management. The project included drilling two new geologic characterization wells, integrating an existing 3-D seismic survey, creating a geologic model subsequently used for injection simulation, a risk assessment, public outreach, and generating a site development plan based on results. In addition, the performance of select National Risk Assessment Partnership tools was evaluated. The geologic characterization wells were drilled ~5600 feet deep to the Broom Creek Formation; ~350 feet of core was retrieved from each well. The core included the Broom Creek (targeted injection zone) and a portion of the overlying Opeche Shale (seal). The Flemmer-1 well, west of Beulah, North Dakota, yielded 169 feet of sandstone. The BNI-1 well located south of Center, North Dakota, yielded 124 feet of sandstone. In each case, laboratory analysis of the sandstone showed permeability in the 300–1000-mD range, with porosity of 20%–30%. The Flemmer-1 well was sited within the boundaries of an existing 3-D seismic survey. Colocating the well with the seismic survey maximized the relationship between new and legacy data and developed a first-of-its-kind interpretation of the geologic fabric of the Broom Creek. Geologic characterization data were integrated into a 5544-mi 2 geocellular model that encompassed both new wells and stratigraphy from the surface to the Amsden Formation (underlying the Broom Creek). The model was later expanded vertically to include the deeper Black Island–Deadwood interval to examine its potential viability as a storage target. The geocellular model provided the foundation for dynamic simulation of CO 2 into the Broom Creek. Results of the simulation suggest that the Broom Creek could accept the DOE target rate of 2 Mt/yr of CO 2 into as few as two wells. To bracket the expected capture from MRYS, simulations were also investigated for a 4-Mt/yr rate near MRYS. Although more wells are needed (two additional), the Broom Creek still has the storage resource to accept the CO 2 at the increased rate. A risk assessment exercise was conducted to identify and assess technical and nontechnical risks that could prevent potential candidate storage complexes within the study area from serving as commercial storage sites. The assessment identified and evaluated six technical risk categories: 1) CO 2 injectivity, 2) storage capacity, 3) lateral migration of CO 2 , 4) lateral pressure propagation, 5) vertical migration of CO 2 or formation brine, and 6) induced seismicity. Following two rounds of analysis and scoring, no risks were determined to preclude continued efforts to develop carbon capture, utilization, and storage (CCUS) in central North Dakota. The risk assessment results will be used to guide future site characterization, modeling and simulation, and monitoring activities. A specific nontechnical strategic risk based on challenges that may be realized in amalgamation of pore space resulted in vertically expanding the geologic model to incorporate the potential for stacked storage in multiple saline reservoirs. By including the Black Island–Deadwood interval (the basal sedimentary reservoir in this region), the amalgamated areal extent could be reduced by as much as 45%. Working with a smaller geographic area reduces risks and costs associated with monitoring and pore space leasing. An economic evaluation incorporating capture; transport (<5 mi); Class VI wells; permitting; and monitoring, verification, and accounting suggests implementing commercial-scale CCUS is economically attractive if the federal tax benefits of 45Q are included. This is validated by Minnkota’s continued pursuit of CO 2 capture and geologic storage at MRYS through its Project Tundra initiative, indicating that there is a business case for CCUS in central North Dakota. Currently, North Dakota is the only state with underground injection control (UIC) Class VI primacy. Built into the North Dakota Century Code is a series of regulatory requirements that guide the process to obtain a Class VI CO 2 storage facility permit. As part of this project, a site development plan was compiled to assure compliance with North Dakota’s requirements to permit a commercial-scale CO 2 storage operation and includes a prospective time line encompassing a general breakdown of activities. In total, an estimated 30 months would be needed to execute the necessary steps to attain a North Dakota CO 2 storage facility permit. Outreach was an integral part of the project and encompassed any project-related activity that had contact or exposure beyond the project team. The goals of outreach were to foster an environment from which stakeholders could make informed decisions about the project and gauge community receptiveness to a CCUS project. A consistent set of messages and outreach products were developed in conjunction with an outreach advisory board that integrated project partners and team members. To gauge public acceptability of geologically storing CO 2 , 5611 households in the project area were invited to participate in an online survey. The survey results indicate that the public attitude regarding CCUS is neutral to positive, with strong sentiment that CO 2 capture and storage may be an approach to maintain the economic vitality of the region. To achieve project objectives, critical support in the form of financial backing, engineering evaluations, site access, outreach collaboration, operations data, risk assessment/evaluation, and software access was provided by BEPC, the North Dakota Industrial Commission Lignite Research Council, ALLETE Clean Energy, BNI Energy, North American Coal Corporation, Minnkota, Prairie Public Broadcasting, Computer Modelling Group Ltd., and Schlumberger.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Influence of Hybridization on the Capacity Value of PV and Battery Resources

Utility-scale systems that combine solar photovoltaic and battery (PV+battery) technologies are growing in popularity on the U.S. bulk power system. The business case for PV+battery systems depends on both their ability to reduce costs and their ability to generate value synergies associated with the provision of energy, capacity, and ancillary services. Capacity value can constitute a significant portion of the value PV+battery hybrids provide to the grid (e.g., through avoided or deferred capacity) and receive through revenues. Throughout this report, we define capacity value as the monetary value of a plant's contribution towards the planning reserve margin, which ultimately depends on market rules and structures. PV+battery hybrids do not always fit into current market structures because of the interactions between the PV and battery components. Unique considerations for the capacity value of PV+battery hybrids include the disparate nature of participation models for PV and battery technologies in existing market rules and the potential influence of a shared interconnection capacity; limitations imposed by a shared inverter; limited ability to charge the battery in advance of capacity events if charging must be sourced from the coupled PV; and challenges or uncertainties associated with co-optimizing the operations of the PV and battery components. Grid operators are currently considering how market structures can be modified to optimally determine the capacity value provided by PV+battery systems, and the rules of how they are integrated into markets are still being written. As with any resource, poorly designed rules could increase the cost of energy and reduce system reliability, while well-designed rules could allow markets to receive the full benefits hybrid systems can offer without overcompensating them for the services they provide. Well-designed rules for PV+battery systems must consider the unique aspects listed above, while leveraging the commonalities with existing resource types. In this report, we summarize the technical capability and market rules that influence the capacity value of PV+battery systems. We further discuss the potential tradeoffs between computational complexity and accuracy for the various ways in which grid operators can credit PV+battery systems for capacity. Finally, we describe markets for capacity, survey current wholesale market rules applying to PV+battery systems, and provide a snapshot of the current regulatory landscape for PV+battery systems.

14 SOLAR ENERGY↗

Sustainable Aviation Fuels from 30,000 feet – Scoping Report

A literature review, first principles analysis, and mapping of the airline-fuel infrastructure were performed to reassess the potential for various means of realizing a sustainable aviation sector. The literature review found a plethora of technical methods to make the airline industry net-zero CO 2 but limited work on the emergent barriers to sustainable aviation implementation such as land use, repurposing of fuel refining assets, and airline cost structures. First principles analyses of the energy, land, and costs of three broad net-zero strategies were performed to determine if sustainable aviation is feasible even in the most optimistic scenarios. Those methods were biomass-derived sustainable aviation fuel (SAF), fuel produced from CO 2 captured from the air and H 2 produced from water electrolysis (air-to-fuel: ATF), and offsetting fossil-derived Jet Fuel with carbon dioxide removal from the atmosphere (direct air capture and storage: DACS). Offsetting CO 2 emissions from using fossil Jet Fuel with DACS was found to consume the least energy, require the smallest quantity of land, and be the cheapest option. Replacing Jet Fuel with SAF was found to be only slightly more expensive than DACS but require substantially more land. ATF was found to be the most expensive and energy intensive option, though it did spare land relative to SAF. We found that calls to utilize waste biomass are well-founded, but wastes alone cannot cover the needs of the global airline industry. This means additional land will need to be allocated for biomass cultivation if SAF becomes the primary pathway to sustainable aviation. While differences were found in the performance of different types of biomass, those differences were small relative to differences with ATF and DACS. An analysis of the pricing structure of the airline industry suggests that some of the cost advantage of DACS may be erased by consumer sentiment which could explain why, to-date, the airline industry is focused primarily on SAF and to a lesser extent ATF. Further work is required to estimate the transportation, capital cost, and financing cost implications of greenfield and brownfield sites for SAF, DACS, and ATF. In the final report, we will analyze the potential to retrofit corn ethanol facilities to operate the ethanol-to-jet fuel process in response to decreasing gasoline demand as the electrification of road transport progresses. We will also construct a prioritization of land use to determine whether each net-zero CO 2 aviation pathway can make claim to the land required by their technology.

09 BIOMASS FUELS↗

The AI-Base NDA Catalog

The project objective was to create a catalog of NDA capabilities so that as future challenges emerge, potential solutions can be quickly identified. The initial direction was to create a custom database where we would manually add various NDA technologies. During the year, LANL leadership heavily embraced AI tools and established LANL’s Enterprise ChatGPT license. To align with this vision, instead of a database we created a custom GPT to achieve the same capability. We provided a series of references on NDA technologies, the most comprehensive of which is the 2024 “PANDA manual” which is a 700-page textbook. A custom GPT is a semi-isolated version of OpenAI’s GPT model that can be tailored to specific tasks with context documents and instructions. Anyone with a LANL ChatGPT Enterprise account can access the NDA Catalog. Since the GPT exists on the green network, only non-sensitive questions may be asked. The Catalog can be used by simply asking questions in conversational English. We have found the Catalog to be quite accurate, even for heavily technical, complex queries. The Catalog allows the user to describe a measurement problem and it will respond with potential technology solutions.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

OPEN-Augmented Reality GUI for Bioenergy Crop Phenotyping and Precision Agriculture (Donald Danforth Plant Science Center Final Scientific Technical Report)

The project led by the Donald Danforth Plant Science Center, in collaboration with Arizona State University, George Washington University, and Saint Louis University, has made significant strides in advancing the phenotypic analysis of bioenergy crops through the development of an innovative AI processing pipeline. This initiative was primarily funded by ARPA-E, with additional cost-sharing provided by the participating institutions. The project successfully utilized a variety of sensors—3D scanners, thermal, RGB, and hyperspectral—to refine algorithms for data-driven trait signature identification and improve the classification and visualization of plant traits. The developed AI processing pipeline is capable of handling the complex, multidimensional data characteristic of dynamic agricultural environments. 1) Contributions to understanding: The research has advanced the field of plant phenomics by showcasing the synergistic use of various sensor data to enhance the precision of trait analysis in bioenergy crops. Through the integration of 3D scanners, thermal, RGB, and hyperspectral sensors, the project has developed robust data-driven trait signature algorithms and visualization techniques. These innovations have facilitated detailed monitoring and management of plant traits, providing vital insights into plant growth dynamics and stress responses. Further, the project has broadened our understanding of how machine learning can be effectively applied in multi-sensor environments to refine trait analysis. By leveraging diverse datasets, the research has not only improved the accuracy of phenotypic assessments but also established a versatile methodological framework that can be extended beyond agriculture to other fields requiring detailed phenotypic analysis. 2) Technical effectiveness and economic feasibility: The AI processing pipeline developed in this project demonstrated significant technical effectiveness, achieving high throughput analysis of extensive phenotypic data and meeting targeted accuracies. This system exemplified the capability of advanced machine learning technologies to efficiently manage and analyze large, complex datasets. Economically, the implementation of the project-developed pipelines may offer substantial cost savings across multiple sectors. It enhances data analysis processes and significantly reduces the need for manual data interpretation, thereby decreasing both the time and resources required. 3) Public benefit: The project has significantly broadened the scope of agricultural methodologies to enhance phenotypic analysis, with potential applications in various sectors beyond agriculture. Additionally, the initiative fostered an enriching educational and collaborative environment, significantly enhancing the technical skills of participants. It also made substantial contributions to the scientific community by providing open-access data sets and tools, encouraging ongoing research and development across various disciplines. Overall, the project not only met its scientific goals but also showcased the extensive utility of integrating advanced machine learning and sensor data analysis technologies. These advancements have proven instrumental in driving forward both theoretical research and practical applications, setting a strong foundation for future explorations and innovations in data-driven science.

60 APPLIED LIFE SCIENCES↗

U.S. Department of Energy: National Virtual Biotechnology Laboratory (Technical Report)

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. The NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply shortages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. As part of the NVBL framework, DOE rapidly assembled five project teams to (1) identify new targets for medical therapeutics; (2) develop innovations in testing capabilities; (3) provide epidemiological and logistical support; (4) understand viral fate and transport in the environment; and (5) address supply chain bottlenecks by harnessing extensive additive manufacturing capabilities. Each research team was charged with defining high-impact projects that could be completed in a 6-month sprint while coordinating their developments with academia, other government agencies, and the private sector. Within months, NVBL teams used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported efforts by the U.S. Food and Drug Administration, Centers for Disease Control and Prevention, and U.S. Department of Defense to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. To minimize virus uptake and protect human health, NVBL teams studied how to control indoor virus movement. Researchers also produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment, creating nearly 1,000 new jobs. Through its NVBL framework, DOE has contributed significantly to the nation’s COVID response, demonstrating in only a few months the critical impact of its national laboratories. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development solutions. Going forward, the NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, DOE will continue to be an integral component of agency-wide efforts to prepare for and respond to biorisks and other crises. This technical report describes the goals, progress, and results of NVBL’s five project teams—Molecular Design for COVID-19 Therapeutics, COVID-19 Testing, Epidemiological Modeling, Viral Fate and Transport, and Materials and Manufacturing of Critical Supplies—and lists each team’s publications and research output.

42 ENGINEERING↗

Synergistic Thermo-Microbial-Electrochemical (T-MEC) Approach for Drop-In Fuel Production from Wet Waste

This project successfully developed and demonstrated the synergistic thermo-microbial-electrochemical (T-MEC) process, converting food waste into sustainable biofuels while achieving self-sustaining wastewater treatment and hydrogen production. By integrating hydrothermal liquefaction (HTL) and microbial electrolysis cells (MECs), the project advanced waste-to-fuel technology and expanded the understanding of sustainable waste valorization. It established a scalable framework for achieving high carbon efficiency, effective pollutant removal, and energy recovery, showcasing the potential of combining biological, thermal, and electrochemical systems to optimize resource recovery and reduce environmental impacts. The project demonstrated the technical effectiveness of the T-MEC process, achieving over 50% improvement in carbon efficiency and reducing waste processing costs by more than 25% compared to anaerobic digestion (AD). The HTL pilot reactor processed food waste at 90 kg/h, producing up to 200 L/day of biocrude oil with high conversion efficiency. A critical desalting step in pretreatment prevented catalyst fouling, enabling efficient hydrotreating with 100% deoxygenation and denitrogenation and sulfur reduction to <15 ppm. This positioned the kerosene fraction as a strong candidate for sustainable aviation fuel (SAF). The MECs achieved rapid startup, 86.4% COD removal, and hydrogen production rates of 1.8 L H 2 /L cat /day, among the highest recorded for pilot-scale systems. The integrated process achieved 65% carbon efficiency to biocrude and 58% to finished fuels, outperforming AD's 41% and 33% efficiencies for biogas and natural gas vehicle fuels. System analysis highlighted economic potential, with minimum fuel selling prices (MFSP) decreasing from $\$$25/GGE at 5 tpd to $\$$10/GGE at 500 tpd due to economies of scale. Future work will focus on reducing MEC material and membrane costs, enhancing performance through higher current densities, and creating tailored operational strategies for diverse feedstocks. Optimization of the integrated system will improve scalability and feasibility, positioning the T-MEC process as a competitive solution for converting wet waste into sustainable fuels and clean water. Beyond its technical and economic achievements, the project offers significant public benefits. The T-MEC process provides a sustainable alternative to landfilling and incineration, reducing greenhouse gas emissions and conserving resources. Converting waste into SAF and renewable fuels supports decarbonization in the transportation sector, advancing energy independence and reducing reliance on fossil fuels. Additionally, the process minimizes environmental pollutants, transforming them into valuable products like hydrogen and fuels, contributing to a cleaner and more sustainable future.

09 BIOMASS FUELS↗

Independent Review of Groundwater Remediation Strategy for Hexavalent Chromium and RDX Groundwater Plumes at Los Alamos National Laboratory (Rev. 1)

Site operations at the Los Alamos National Laboratory (LANL) resulted in the release of oxidized chromium, Cr(VI), into Sandia Canyon from cooling tower effluent from 1956 until 1972. The chromium traveled with the surface water approximately 3 miles downstream before migrating below ground surface. Chromium concentrations exceed 50 μg/L in the upper portion of the aquifer. Another LANL groundwater plume of concern is associated with RDX (Royal Demolition Explosives, 1,3,5-trinitro-1,3,5-triazine). Between 1951 and 1996, RDX was released to the mesa-top facilities' process water outfall, adjacent and underlying soils, and alluvial sediments, along with surface water in Cañon de Valle. Between 2000 and 2010, two remedial actions were deployed, removing much of the near-surface RDX, however, recharge due to precipitation has transported RDX into the perched-intermediate zone and into the regional aquifer. The report documents an independent technical review by scientists from the Department of Energy (DOE) Network of National Laboratories for Environmental Management and Stewardship (NNLEMS) to provide recommendations for potential near term actions to address and optimize remediation for both the Cr(VI) and RDX plumes. The proposed near-term remedial actions include design of pump and treat systems for Cr(VI) and monitoring and study for natural attenuation for RDX. The review assesses existing data, conceptual and numerical modeling, and it recommends a technical integration process to support identifying and implementing strategic, effective and efficient remedies. The DOE Environmental Management Los Alamos Field Office (EM-LA) and their cleanup contractor Newport News Nuclear-BWTX, LLC Los Alamos (N3B) provided the information required for the review. Interviews were also conducted with regulators to obtain the full spectrum of technical, regulatory and scientific perspectives. The independent review team was impressed by the capabilities, experiences, innovativeness, and insightfulness of the technical representatives from both the regulator, the New Mexico Environment Department (NMED) and N3B. Incorporation of vadose zone flow pathways in the conceptual site model (CSM) and configuring the numerical modeling for the site was generally state-of-the-practice (or better). This could be considered state-of-the-art by addressing uncertainties related to spatial extent of hydraulic windows. The reviews from the regulators were thorough and often provided useful concepts for consideration and future/study resolutions. The overarching consensus recommendation of independent review team is that the LANL groundwater plumes should be addressed in context of the emerging "management of complex sites" paradigm.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nanoporous Materials Genome Center Final Technical Report

Nanoporous materials (NPMs), including zeolites/zeotypes, metal-organic frameworks (MOFs), covalent organic frameworks, polymers with intrinsic microporosity, and molecular cages, possess enormous potential in diverse areas relevant to the DOE Office of Science Basic Energy Sciences (BES) mission and objectives. The Nanoporous Materials Genome Center (NMGC) has developed exascale-ready software, computational/theoretical chemistry methods, and data-driven science approaches that enable (i) the de-novo design of functional NPMs for chemical separation and catalysis tasks of increasing complexity, (ii) the discovery of the most promising functional NPMs from databases of synthesized and hypothetical adsorbent structures and the optimization of process conditions for specific applications, and (iii) the microscopic-level understanding of the fundamental interactions underlying the function of NPMs including hierarchical architectures, composite materials, responsive frameworks that may undergo phase transitions or post-synthetic modifications, and materials containing defects, partial disorder, or interfaces. A pivotal part of the NMGC project has been a tight collaboration between leading experimental groups for synthesis and characterization of NPMs and of computational groups that allowed for iterative feedback. The NMGC project has resulted in the publication of more than 290 research and review articles including more than 60 publications in high-impact journals and more than 15 journal covers. NMGC publications have already received more than 20,000 citations (with more than 3,000 citations per year in 2021, 2022, and 2023) and contribute to an h-index of more than 72. The NMGC award has supported collaborative research involving 28 research groups and contributed to the training of more than 40 postdocs, more than 60 graduate students, and more than 20 undergraduate students with broad expertise in data-driven science approaches, computational chemistry methods, and high-performance computing, in addition to the skills to thrive in an integrated experimental and computational research environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Survey on Sustainable Software Ecosystems to Support Experimental and Observational Science at Oak Ridge National Laboratory

In the search for a sustainable approach for software ecosystems that supports experimental and observational science (EOS) across Oak Ridge National Laboratory (ORNL), we conducted a survey to understand the current and future landscape of EOS software and data. This paper describes the survey design we used to identify significant areas of interest, gaps, and potential opportunities, followed by a discussion on the obtained responses. The survey formulates questions about project demographics, technical approach, and skills required for the present and the next five years. The study was conducted among 38 ORNL participants between June and July of 2021 and followed the required guidelines for human subjects training. We plan to use the collected information to help guide a vision for sustainable, community-based, and reusable scientific software ecosystems that need to adapt effectively to: i) the evolving landscape of heterogeneous hardware in the next generation of instruments and computing (e.g. edge, distributed, accelerators), and ii) data management requirements for data-driven science using artificial intelligence.

Bernholdt, David↗

Experiential findings for sustainable software ecosystems to support experimental and observational science

In the search for a sustainable approach for software ecosystems that supports experimental and observational science (EOS) across Oak Ridge National Laboratory (ORNL), we conducted a survey to understand the current and future landscape of EOS software and data. This paper describes the survey design we used to identify significant areas of interest, gaps, and potential opportunities, followed by a discussion on the obtained responses. The survey formulates questions about project demographics, technical approach, and skills required for the present and the next five years. Here, the study was conducted among 38 ORNL participants between June and July of 2021 and followed the required guidelines for human subjects training. We plan to use the collected information to help guide a vision for sustainable, community-based, and reusable scientific software ecosystems that need to adapt effectively to: (i) the evolving landscape of heterogeneous hardware in the next generation of instruments and computing (e.g. edge, distributed, accelerators), and (ii) data management requirements for data-driven science using artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Synergizing human expertise and AI efficiency with language model for microscopy operation and automated experiment design

With the advent of large language models (LLMs), in both the open source and proprietary domains, attention is turning to how to exploit such artificial intelligence (AI) systems in assisting complex scientific tasks, such as material synthesis, characterization, analysis and discovery. Here, we explore the utility of LLMs, particularly ChatGPT4, in combination with application program interfaces (APIs) in tasks of experimental design, programming workflows, and data analysis in scanning probe microscopy, using both in-house developed APIs and APIs given by a commercial vendor for instrument control. We find that the LLM can be especially useful in converting ideations of experimental workflows to executable code on microscope APIs. Beyond code generation, we find that the GPT4 is capable of analyzing microscopy images in a generic sense. At the same time, we find that GPT4 suffers from an inability to extend beyond basic analyses for more in-depth technical experimental design. We argue that an LLM specifically fine-tuned for individual scientific domains can potentially be a better language interface for converting scientific ideations from human experts to executable workflows. Such a synergy between human expertise and LLM efficiency in experimentation can open new doors for accelerating scientific research, enabling effective experimental protocols sharing in the scientific community.

97 MATHEMATICS AND COMPUTING↗

Cold atoms in space: community workshop summary and proposed road-map

We summarise the discussions at a virtual Community Workshop on Cold Atoms in Space concerning the status of cold atom technologies, the prospective scientific and societal opportunities offered by their deployment in space, and the developments needed before cold atoms could be operated in space. The cold atom technologies discussed include atomic clocks, quantum gravimeters and accelerometers, and atom interferometers. Prospective applications include metrology, geodesy and measurement of terrestrial mass change due to, e.g., climate change, and fundamental science experiments such as tests of the equivalence principle, searches for dark matter, measurements of gravitational waves and tests of quantum mechanics. We review the current status of cold atom technologies and outline the requirements for their space qualification, including the development paths and the corresponding technical milestones, and identifying possible pathfinder missions to pave the way for missions to exploit the full potential of cold atoms in space. Finally, we present a first draft of a possible road-map for achieving these goals, that we propose for discussion by the interested cold atom, Earth Observation, fundamental physics and other prospective scientific user communities, together with the European Space Agency (ESA) and national space and research funding agencies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Transversely Polarized Solid Target for Hall B at Jefferson Lab

The physics program for Hall B at Jefferson Lab includes multiple, high-impact experiments scattering electrons from transversely polarized protons. These experiments will measure, for example, the Transverse Momentum Distributions and the Generalized Parton Distribution for protons, using, respectively, semi-inclusive deep inelastic scattering and deeply virtual Compton scattering. In this talk I will discuss the technical challenges to implementing a polarized solid-state target in the Hall B experimental environment, examine potential solutions, and describe the current status of the target design.

Keith, Christopher↗

TTDAQ: A Continuous Flow, Timing and Trigger DAQ System

Final Scientific/Technical Report for DOE Award DE-SC0019581, “TTDAQ: A Continuous Flow, Timing and Trigger DAQ System.” The report summarizes Telluric Labs’ Phase II STTR work developing silicon-photonic building blocks for a software-defined, continuous-flow, trigger-less data acquisition system for next-generation high-energy and nuclear-physics detectors. The project focused on radiation-hard photonic integrated circuits, remote optical illumination, dense wavelength-division multiplexing, and a differential microring-resonator transceiver architecture designed to improve high-speed optical link stability and bandwidth. The report describes project objectives, technical accomplishments, AIM Photonics tape-outs, bench characterization, radiation-hardness testing, deferred integration work, and potential applications beyond physics readout.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

LeWRON: Agentic Analysis of Electroweak Phase Transitions

The electroweak phase transition (EWPT) is a central topic in particle physics and cosmology, connecting collider phenomenology, baryogenesis, and gravitational-wave observatories. Its analysis requires a technically demanding, convention-sensitive, and model-dependent pipeline, from constructing the finite-temperature effective potential to tracking thermal histories, computing bubble nucleation rates, and predicting gravitational-wave spectra. We present LeWRON (Learning ElectroWeak phase tRansitiON), an agentic framework that orchestrates this pipeline starting from an input Lagrangian. LeWRON combines audited toolbox construction with an Explorer module that uses the generated model-specific code for further analysis, including scans and plots. Intermediate analytic outputs are checked by auditor agents and stored as structured artifacts, enabling reproducible human inspection and downstream use through both a command-line interface and a public Python API. The framework supports a reproduction mode, which infers conventions from the literature and reproduces published results, and a discovery mode, which guides users through structured checkpoints for new models. We demonstrate LeWRON across representative beyond-the-Standard-Model scenarios and release the code on GitHub.

Wang, Isaac R. [Fermilab] (ORCID:000000030789218X)↗

Capacity Density Considerations for Floating Offshore Wind Farms in Ultradeep Waters

Capacity density describes the concentration of wind energy development in an area and is often specified in terms of megawatts-per-square-kilometer (MW/km2). Understanding capacity density trends in wind energy projects helps to inform both energy system and spatial planning efforts. Borrman et al. (2018) and Mulas Hernando et al. (2023) analyze capacity density trends for fixed-bottom offshore wind farms in Europe and the United States, respectively, and Cooperman et al. (2022) explores how floating offshore wind mooring technology choices may impact wind plant layout through setbacks from lease area boundaries in waters up to 1,300 m deep. Technical challenges facing floating offshore wind development in ultradeep waters (beyond 1,300 m) could impact achievable capacity densities, with potential implications to marine spatial planning and project economics. When compared to fixed-bottom commercial-scale wind farms, mooring system footprints from floating offshore wind systems can constrain capacity density in some circumstances. In this study, we conduct an initial investigation of how taut mooring configurations may constrain floating offshore wind turbine placement and estimate capacity density for representative floating wind plants in generic lease areas. In addition, we explore floating wind plant capacity density drivers in ultradeep waters by characterizing area utilization for a range of lease area characteristics. This analysis highlights the primary challenges that floating offshore wind systems may encounter in achieving capacity densities comparable to commercial-scale fixed-bottom projects at ultradeep water depths, from a technical standpoint.

capacity density↗