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At least 91 records · Page 5

Fission with Exotic Nuclei (Full Technical Report)

Despite its importance for stockpile stewardship or nuclear forensics, data on fission is fragmentary: most experiments have only been performed on stable actinide nuclei and are often incomplete, and theoretical simulations often contain many parameters hard to constrain, which results in large uncertainties. Consequently, nuclear libraries have large gaps for important isotopes. The goal of this project was to prepare to take advantage of the unprecedented yields of radioactive isotopes at the upcoming DOE Facility for Rare Ion Beams and to leverage recent progress in the field of machine learning to develop a comprehensive program of fission studies that could address some of the most pressing problems in nuclear fission over the next several decades. Our project leveraged synergies between experimental nuclear physics, nuclear theory, and data science expertise at LLNL. On the experimental front, our main objective was to develop in-house expertise for inverse kinematics reactions with relativistic beams as well as to field and test new detectors to perform correlated measurements of fission properties. On the theoretical side, the objective was to develop a novel, high-fidelity and scalable approach of fissionfragment calculations based on emulating computationally expensive, quantum-mechanical calculations of nuclear properties with deep neural networks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Assessment of Existing OpenStudio Measures: Reviews, Interviews, and Future Developments

OpenStudio Measure development is continuously in progress and greatly propelled by the collaborative efforts within the building energy modeling community. To ensure the widespread adoption and benefit of OpenStudio Measures, developers must understand the current status of Measure development and the needs of OpenStudio Measure users. The first step involves a comprehensive review of existing content to prevent redundancy and gain insights into how OpenStudio Measures are used in the building energy modeling community. This knowledge can then be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users can be leveraged to shape future Measures. Numerous OpenStudio Measures have been created and shared on the Building Component Library (BCL). The BCL is an open-source repository housing various OpenStudio-related resources, including building component blocks, descriptive metadata, and Measures describing modifications to building energy models. The OpenStudio Measures in BCL encompass a wide range of energy conservation Measures from basic lighting power reduction to complex HVAC model transformation. They also enable users to generate customized reports and facilitate the integration of energy simulation with other analytical processes. This report presents review of 272 currently available OpenStudio Measures in BCL. The OpenStudio Measures were reviewed by category and subcategory. These Measures are summarized by their functionalities and keywords. To gain insights into how OpenStudio Measures are used in building energy modeling community, interviews were conducted. A total of 12 interview responses were collected from 6 individuals in the industry and 6 individuals in academia. The knowledge acquired from reviewing the existing Measures and interview results will be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users will be leveraged to shape future Measures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Quantum Computing for Biomedical Computational and Data Sciences: A Joint DOE-NIH Roundtable

The overlap of quantum computing and biomedical research, while less explored, presents significant near-term opportunities. The Department of Energy (DOE) and the National Institutes of Health (NIH) are interested in exploiting the DOE community’s capabilities and expertise in quantum computing to potentially advance biomedical research, targeting fundamental studies of biological and molecular structures, understanding of human health as well as mental and physical disorders and diseases, and deriving insights from clinical data. NIH’s approach to quantum computing is guided by its Strategic Plan for Data Science, emphasizing the importance of findable, accessible, interoperable, and reusable (FAIR) data assets, security and privacy of data, and efficient computing and storage. DOE’s Office of Science (SC), and more specifically the Advanced Scientific Computing Research (ASCR) program, supports quantum information science (QIS) research, contributing to a unique portfolio of quantum computing and communications expertise. This roundtable was assembled to consider the opportunities and challenges in the near-, medium-, and long-term at the intersection of quantum computing, data science, and biomedical research and how these could be addressed through inter-agency collaboration and multi-disciplinary partnerships.

59 BASIC BIOLOGICAL SCIENCES↗

Molecular Modeling to Increase Kraft Pulp Yield

Kraft pulping is an important component of the pulp and paper industry and is the predominant technology for removing lignin from wood carbohydrates. However, kraft pulping is energy-intensive, expensive, and is limited by the degradation of cellulose and hemicellulose. Pretreatment increases yield by stabilizing cellulose against degradation. However, protection of galactoglucomannan (GGM), the primary hemicellulose component of softwood, is minimal when conventional pretreatments are used. Here we investigate the effectiveness of new pretreatment methods on southern pine wood chips under a range of experimental conditions. If successful, improved pretreatment methods will increase carbohydrate yield, reduce waste, reduce energy use, lower the cost of bleaching, and decrease the cost of air emission controls. The purpose of this CRADA was to combine industrial expertise in wood pulping with national laboratory expertise in high-performance computing, leading to improved understanding of molecular-scale processes that limit carbohydrate yield during pretreatment and pulping. A combined computational and experimental approach was used to investigate pretreatment effectiveness under relevant pulping conditions and then use molecular simulation techniques to provide complementary insight into structural and chemical factors that govern the observed behavior. In this report we summarize the accomplishments of the project.

59 BASIC BIOLOGICAL SCIENCES↗

Addressing Critical Problems in Materials Science Through Multiscale and Multimode Characterization (Project 1); Characterization and Optimization of Novel Triple-Conducting Oxide Materials for Energy Applications (Project 2) (CRADA Final Report)

PROJECT 1: Address critical problems in materials science and simultaneously advance the state-of-the-art in multiscale and multimode characterization using the combined advanced analytical capabilities and expertise of Colorado School of Mines (CSM) and the National Renewable Energy Laboratory (NREL). The primary effort of the Phase I of this CRADA is to establish the International Center for Multiscale Characterization using shared resources at both NREL and CSM. Phase II will focus on capability development and marketing, choosing candidate materials science issues in the areas of structure imaging, chemical composition mapping, and correlating properties and performance of materials for impact in energy-related, environmental and critical materials areas. The CRADA will be modified to include specific topics of concern in materials science to industry member partners. Advanced analytical capabilities and expertise at CSM and NREL will be used to advance materials understanding and performance through characterization of multiscale phenomena including structural imaging, chemical composition mapping, and other techniques correlating properties and performance of materials. PROJECT 2: As part of the International Center for Materials Characterization, work under Modification #1 will be led by Colorado School of Mines (CSM), working in collaboration with NREL staff to mentor and advise CSM postdoctoral researchers on set up of diffusion annealing experiments. The purpose of the modification is to provide for NREL staff to mentor and advise CSM postdoctoral researchers on set up of diffusion annealing experiments, including mentoring and advising the CSM-NREL team on proper Secondary Ion Mass Spectrometry (SIMS) data analysis as needed. SIMS measurements of 10-20 samples will be performed at NREL during the project duration.

08 HYDROGEN↗

Carbon Management with Advanced Materials: An Assessment of Experimental and Computational Capabilities at the University of California-Riverside

The major goals of this project were to conduct an R&D scoping study and self-assessment to evaluate how the current capabilities, expertise, personnel, and facilities/equipment of UC Riverside (UCR) align with Fossil Energy and Carbon Management (FECM) objectives. This scoping study particularly focused on the Materials Science & Engineering program since it encompasses faculty from nearly all the engineering and science departments in UCR with expertise in experimental and computational areas of potential interest to FECM. In addition, this assessment identified gaps in capabilities and provided a discussion on what would enable UCR to be better prepared for potential future competitive solicitations focused on FECM-supported technologies.

36 MATERIALS SCIENCE↗

Fossil Fuel Transitions Framework: Case studies of the decision-making process for energy and economic development pathways

The Net Zero World Initiative leverages expertise across U.S. government agencies and the U.S. Department of Energy’s (DOE) national laboratories, in partnership with other governments and philanthropies, to accelerate the decarbonization of global energy systems. This whole-of-government approach supports countries committed to raising their climate ambitions by co-creating and implementing highly tailored, actionable technical and investment strategies that put just and sustainable net-zero solutions within reach. The Net Zero World Initiative enables country partners to harness the convening power and technical expertise of U.S. and international industry, think tanks, and technical institutions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Nuclear Data: From Measurement, Evaluation, Processing to Practical Applications [Slides]

Any analysis, design of a nuclear system will be as good as the knowledge of the nuclear data used whether differential and integral. ORNL is engaged in generating high level nuclear data for reactor, shielding, and safety applications. Nuclear data remains a major source of data uncertainties. Uncertainties on nuclear data rely upon measurements and evaluations. Tight connections with experimental facilities around the world have helped ORNL to address issues on ND and uncertainty. It is extremely important for ORNL to retain expertise on nuclear data in support of the research and expertise activities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Biomanufacturing and bioprocessing of lunar regolith

Microbial biomanufacturing is important to accelerate lunar construction because it can leverage lunar material and waste streams as feedstocks to create a circular production system. In-space bio-mining and biomanufacturing using moon and asteroidal source material will enable the creation of infrastructure, produce industrial fuels and lubricants, and enable recovery of actinides and rare-earth elements (REEs) present in trace concentrations. Moreover, biomanufacturing in closed-loop systems (recycling and reuse of resources toward the establishment of a circular economy) will enable long-term lunar activities by recycling waste (CO 2 , gray water) and producing oxygen and biomaterials. Our response focuses on the use of lunar regolith and waste streams as feedstocks for protein and microbial-enabled biomining and bioprocessing to extract actinides and REEs, and to create biocomposites for lunar infrastructure. We envision an enclosed process that initiates with (1a) extracting actinides and REEs from lunar regolith using immobilized proteins, followed by (1b) creating biocomposites from the post-extracted lunar regolith for infrastructure, and (1c) cultivating diatoms and other microalgae on waste streams to harvest silica shells for incorporating into biocomposites and to generate O 2 for human respiration and/or producing refinable feedstocks. LLNL has significant expertise in all three processes and provides facilities, personnel, and expertise at the intersection of metal (lanthanide, actinide, transition) separations, purifications, biohydrometallurgy, radiobiochemistry, synthetic and systems biology, and materials science and engineering. Importantly, all three processes are relatively well-studied for Earth-based workflows and can be derisked for demonstration on the lunar surface by 2029.

59 BASIC BIOLOGICAL SCIENCES↗

Reading Between the Lines: Measuring the Effects of Linguistic-Based Indicators of Deception on Experts’ Identification and Categorization of Disinformation

There is currently very limited research into how experts analyze and assess potentially fraudulent content in their expertise areas, and most research within the disinformation space involves very limited text samples (e.g., news headlines). The overarching goal of the present study was to explore how an individual’s psychological profile and the linguistic features in text might influence an expert’s ability to discern disinformation/fraudulent content in academic journal articles. At a high level, the current design tasked experts with reading journal articles from their area of expertise and indicating if they thought an article was deceptive or not. Half the articles they read were journal papers that had been retracted due to academic fraud. Demographic and psychological inventory data collected on the participants was combined with performance data to generate insights about individual expert susceptibility to deception. Our data show that our population of experts were unable to reliably detect deception in formal technical writing. Several psychological dimensions such as comfort with uncertainty and intellectual humility may provide some protection against deception. This work informs our understanding of expert susceptibility to potentially fraudulent content within official, technical information and can be used to inform future mitigative efforts and provide a building block for future disinformation work.

99 GENERAL AND MISCELLANEOUS↗

PCAST: Joint Statement to Leaders from the United States' President's Council of Advisors on Science and Technology and United Kingdom's Prime Minister's Council for Science and Technology

The President’s Council of Advisors on Science and Technology (PCAST) is the sole body of advisors from outside the federal government charged with making science, technology, and innovation policy recommendations to the President and the White House. Established by Executive Order, it is an independent Federal Advisory Committee comprised of distinguished individuals from industry, academia, and non-profit organizations with a range of perspectives and expertise. On March 14, 2024, PCAST and the UK Council for Science and Technology sent a joint letter to President Biden and Prime Minister Sunak outlining shared priorities for ongoing collaboration and the sharing of expertise between the two Councils.

99 GENERAL AND MISCELLANEOUS↗

Developing ML/AI Methods for High-Throughput Characterization of Multiple-Sensor Streams of Tokamak Dynamics for High-Speed Control (Final Report)

This project evaluated and developed new mathematical and algorithmic techniques capable of handling (in real-time) the growing amounts of data generated by modern fusion research. While existing numerical linear algebra (NLA) methods provide the backbone to classical data analysis and algorithms, these methods fundamentally do not port to distributed architectures nor do they allow low-latency data reduction for control. Motivated by the needs for modern fusion reactors, this project explored and implemented new numerical methods to characterize plasma dynamics, respond in real-time to discharge evolution, and to process massive-scale data accurately and rapidly more fully. This project links expertise in multiple-sensor diagnostics of tokamak plasma dynamics from Columbia University’s Plasma Physics Laboratory with expertise in massive-scale data reduction and extreme data control algorithms at Columbia University’s Data Science Institute. This interdisciplinary project (i) applied machine learning methods, (ii) implemented a properly-trained neural-network for very fast processing of high-speed plasma videography, and (ii) developed the applied mathematical methods, based on randomized-NLA (rNLA) routines, for data analysis, reduction, and real-time control. The Columbia University High Beta Tokamak-Extended Pulse (HBT-EP) facility provided data to test new algorithms and partnership with Columbia University's Data Sciences Institute evaluated the broader use of new algorithms for many challenging control applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

CalCharge CRADA000008852 Master Agreement Amendment 1, Battery Consortium – Proprietary Activities

Lawrence Berkeley National Laboratory (LBNL) is partnering with the California Clean Energy Fund to launch CalCharge, an energy storage innovation accelerator, comprised of emerging and established California companies and related organizations developing battery technologies for the electric/hybrid vehicle transportation, the electric grid and consumer electronics markets. The vision of CalCharge is to accelerate the pace of technology innovation, business growth, and cluster development. Calcharge programs will deliver technology acceleration and technical expertise to the energy storage industry, as well as policy and market development support to strengthen the regional economy. LBNL shall collaborate with CalCharge members on the analysis and testing of battery and energy storage technologies. LBNL’s work will include analysis and testing of external design, examination of materials and components either separately or as a whole, and providing data and observations resulting from each collaboration. LBNL shall maintain and provide access to LBNL specialized facilities for research activities performed by or for CalCharge members. In addition, LBNL will provide expertise for short-term consultation, interpretation of testing data, or to clarify technical obstacles if requested by a Member. Over this time frame, Calcharge partnered with several start-ups to provide analytical resources. Those companies include Halotechnics, ZAF Energy Systems, Volkswagen Group of America, Toyota Motor Corporation, and Ensor Inc.

25 ENERGY STORAGE↗

Brochure for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.

59 BASIC BIOLOGICAL SCIENCES↗

Center of Excellence for Operational Technology

The Center of Excellence for Operational Technology Traditional Presentation Abstract 2025 National Laboratories Information Technology Summit | Denver, CO Traditional Presentation Session Managing cybersecurity risk in Operational Technology (OT) presents a significant challenge across the Department, and critically, at many of the national laboratories. This includes IT-OT convergence, aging OT systems, cost of updating OT systems, and increased Advanced Persistent Threat efforts against OT including the 16 critical infrastructure sectors as listed in Presidential Policy Directive 21. DoE’s Office of Science and NNSA’s Office of the Chief Information Officer are taking the lead in addressing this challenge to include critical systems, by establishing the Center of Excellence (CoE) for Operational Technology. Championed by NNSA Deputy Chief Information Officer Steven McAndrews and the Office of Science Chief Information Officer Shila Cooch, the CoE for OT was chartered in February 2025 to address the challenges of OT cybersecurity and compliance. The CoE for OT will create partnerships and leverage expertise from across the NNSA National Security Enterprise and DOE Labs, Plants and Sites. The CoE will also collaborate with colleagues in other government agencies, industry partners and academia. The CoE for OT discussion at the National Laboratories Information Technology Summit ’25 will include the genesis of the CoE, stated goals, organizational structure, and the effort to attract OT subject matter experts to join the CoE effort to share knowledge and expertise. The discussion will include opportunities to get involved and contribute to this important effort. This session will be led by CoE for OT Co-Chairs Matt Kwiatkowski, Fermi National Laboratory Chief Information Security Officer, and Steven Weldon, Savannah River National Laboratory Cyber Program Director at the Georgia Cyber Center. The session will be of particular interest to CIOs, CTOs, CISOs, as well as IT and OT practitioners.

Kwiatkowski, Matt [Fermilab]↗

Credible Criticality Safety Margin in the 30B Package with LEU+ UF 6 and Hypothetical Water Ingress

The commercial nuclear industry is pursuing advancements in fuel and reactor design that increase the uranium enrichment above 5 wt. % 235 U. These advancements will necessitate the ability to transport bulk quantities of UF 6 at increased enrichments. Currently, the 30B cylinder is the primary container used by the industry for UF 6 storage and transportation and has a long history of successful shipments. This container can support up to 2,277 kg of UF 6 at a maximum enrichment of 5 wt. % 235 U. Previous evaluations have assessed the potential impact of criticality safety for 30B transport at higher enrichments but assumed moderator intrusion would not require evaluation. Although current regulations allow for the exception of moderator intrusion for UF 6 packages through the design and quality control of the package content, this exception is limited to enrichments up to 5 wt. % 235 U. Thus, an investigation of moderator intrusion into a 30B cylinder should be performed. Moderator intrusion into a 30B cylinder is a unique condition for criticality safety evaluation in transportation because of the violent chemical reactions that occur between UF 6 and H 2 O. The resulting intrusion is strongly dependent on the breach size, breach location, breach interface solid/ullage of the UF 6 content, the UF 6 distribution (which is temperature dependent), and temperature/pressure conditions which are dynamic in accident conditions. Additionally, the complexity of the HF-UO 2 F 2 -H 2 O interface that occurs during the event can influence the potential solubility of uranium in the system, as well as influence the amount of UF 6 reaction with H 2 O. With the operating experience from Orano Federal Services LLC, the UF 6 chemical expertise from Oak Ridge National Laboratory (ORNL), and the criticality safety expertise from ORNL, this paper evaluates the neutronic conditions (i.e., k eff ) that apply the understood chemistry and experimental conditions that occur during moderator intrusion of a breached 30B cylinder under postulated accidents. This report examines the historical evaluations of UF 6 transport and expands these evaluations for the enrichments expected for nuclear industry advancement. These simulations primarily feature a homogeneous mixture of UF 6 and H 2 O as an infinite media system and as a sphere with water reflection given an impurity limit of 0.5 wt. % UF 6 . This report demonstrates that this H/U limit is valid up to 8 wt. % enrichment for both H 2 O and HF as the moderating mixture. The water-reflected homogeneous mixed spheres evaluated demonstrate the amount of safety margin applied by restricting the 30B cylinder impurity limit to 0.5 wt. %. Additionally, this report evaluates moderator ingress scenarios of a 30B cylinder. The 30B cylinder simulations vary the cylinder orientation, the mass of UF 6 in the system, the mass of H 2 O in the system, and how much H 2 O has reacted with UF 6 . The moderator ingress of a 30B cylinder was evaluated for the water-reflected homogeneous mixed spheres to demonstrate the amount of safety margin applied by restricting the 30B cylinder impurity limit to 0.5 wt. %. These simulations are standard practice and are independent of the UF 6 -H 2 O reaction. This work also explored more complex simulations that layer the H 2 O over the UF 6 , which incorporates the amount of reacted UF 6 as a separate layer and considers solubility limits of UO 2 F 2 in H 2 O as it is produced. This approach is intended to simulate the postulated event of a large hairline crack occurring on a submerged cylinder. Finally, this work considers the potential of H 2 O mixing into the UF 6 solid heterogeneously using a sponge-like model. The water ingress into the UF 6 is treated as random size spheres, and the reaction products form into a layer over the spheres.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analysis Program 2022 Annual Progress Report

The VTO Analysis Program supports mission-critical technological, economic, and interdisciplinary analyses to assist in prioritizing VTO technology investments and to inform research portfolio planning. These efforts provide essential vehicle and market data, modeling and simulation, and integrated and applied analyses, using the unique capabilities, analytical tools, and expertise resident in the DOE’s national laboratory system. VTO Analysis projects also demonstrate additional capabilities and expertise provided by research partnerships that may include academia, the private sector, and non-profit organizations.

33 ADVANCED PROPULSION SYSTEMS↗

Analysis Program (2023 Annual Progress Report)

This document summarizes the progress of VTO Analysis projects supported during the fiscal year 2023. The VTO Analysis Program supports mission-critical technological, economic, and interdisciplinary analyses to assist in prioritizing VTO technology investments and to inform research portfolio planning. These efforts provide essential vehicle and market data, modeling and simulation, and integrated and applied analyses, using the unique capabilities, analytical tools, and expertise resident in the DOE’s national laboratory system. VTO Analysis projects also demonstrate additional capabilities and expertise provided by research partnerships that may include academia, the private sector, and non-profit organizations.

33 ADVANCED PROPULSION SYSTEMS↗