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Reproducibility, Replicability, and Research Quality in Homogeneous Catalysis

Researchers from all sectors of homogeneous catalysis convened in response to concerns regarding reproducibility in science to analyze the issue and provide recommendations. In addition to an in- person workshop, the group engaged the broader homogeneous catalysis community through a webinar series and virtually during the workshop. Results of the project affirm that homogeneous catalysis is not in a reproducibility crisis, as evidenced by the field’s current and past contributions to society that have led to economic growth and advances in a range of industries from agriculture to consumer goods to human health. However, it is not uncommon for researchers to encounter obstacles related to reproducibility. Ensuring reproducibility remains the responsibility of the community, both in current work and in training future researchers. This report is intended to engage key stakeholders, including disciplinary societies, publishers, employers, research leaders, and researchers, in practices that maximize reproducible homogeneous catalysis and ensure continued innovation and translatable discoveries. Recommendations made herein are also framed to be applicable beyond homogeneous catalysis, empowering the broader chemical if not scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Laboratory Directed Research and Development Program: FY 2025 Completed Projects

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory. It possesses distinctive capabilities in a variety of fields, such as neutron science, computing, advanced materials, and nuclear science and technology. Using these capabilities, ORNL conducts basic and applied research and development (R&D) to support DOE’s overarching mission “to ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.” As a national resource, ORNL also applies its capabilities and skills to the specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) Program. Information about the laboratory and its programs is available on the ORNL website. The Laboratory Directed Research and Development (LDRD) Program at ORNL operates under the authority of DOE Order 413.2C, Laboratory Directed Research and Development, which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD Program funds are obtained through a charge to all laboratory programs. Although it represents a relatively small portion of the overall research budget, the LDRD Program plays an essential role in maintaining the laboratory’s ability to respond to national needs. The program allows ORNL to improve its distinctive capabilities and enhance its ability to conduct cutting-edge R&D. In accordance with the DOE order, R&D projects funded through the LDRD Program at ORNL support the goals of • maintaining the scientific and technical vitality of the laboratory, • enhancing the laboratory’s ability to address future DOE missions, • fostering creativity and stimulating exploration of forefront areas of science and technology, • serving as a proving ground for new concepts in R&D, and • supporting high-risk, potentially high-value R&D. This report provides an overview of the LDRD Program at ORNL in FY 2025 and contains summaries of all the LDRD research projects that concluded between October 1, 2024, and September 30, 2025.

99 GENERAL AND MISCELLANEOUS↗

Multidimensional perspectives of geo-epidemiology: from interdisciplinary learning and research to cost–benefit oriented decision-making

Research typically promotes two types of outcomes (inventions and discoveries), which induce a virtuous cycle: something suspected or desired (not previously demonstrated) may become known or feasible once a new tool or procedure is invented and, later, the use of this invention may discover new knowledge. Research also promotes the opposite sequence—from new knowledge to new inventions. This bidirectional process is observed in geo-referenced epidemiology—a field that relates to but may also differ from spatial epidemiology. Geo-epidemiology encompasses several theories and technologies that promote inter/transdisciplinary knowledge integration, education, and research in population health. Based on visual examples derived from geo-referenced studies on epidemics and epizootics, this report demonstrates that this field may extract more (geographically related) information than simple spatial analyses, which then supports more effective and/or less costly interventions. Actual (not simulated) bio-geo-temporal interactions (never captured before the emergence of technologies that analyze geo-referenced data, such as geographical information systems) can now address research questions that relate to several fields, such as Network Theory. Thus, a new opportunity arises before us, which exceeds research: it also demands knowledge integration across disciplines as well as novel educational programs which, to be biomedically and socially justified, should demonstrate cost-effectiveness. Grounded on many bio-temporal-georeferenced examples, this report reviews the literature that supports this hypothesis: novel educational programs that focus on geo-referenced epidemic data may help generate cost-effective policies that prevent or control disease dissemination.

59 BASIC BIOLOGICAL SCIENCES↗

University Data Management Pilot Utilizing the Nuclear Research Data System

Background In 2022, the Office of Science and Technology Policy (OSTP) issued a memo that significantly reshaped the landscape of access to federally funded research. The memo mandated that all taxpayer-funded research be made available to the public without delay upon publication, without an embargo period, superseding the 2013 OSTP public access policy. This public access policy promotes transparency and the democratization of knowledge, ensuring that the fruits of scientific endeavors funded by federal agencies could be immediately accessed and built upon by scientists, educators, students, and the public at large. To implement the requirements of the OSTP guidance and DOE Public Access Plan, the Office of Nuclear Energy (NE) has implemented public access plan guidance and has identified several areas where better data management practices would further expand public access to important nuclear energy related scientific data, reports, and other technical products. Significant NE supported efforts are already underway for data management and public access to important nuclear energy related data.1 2 To address gaps in data management practices, and improve retention and accessibility of data, NE is actively exploring enhanced data management options utilizing its high-performance computing resources administered by its Nuclear Scientific User Facility Program. A newly piloted system, the Nuclear Research Data System (NRDS) acts as a portal for data collection and dissemination. Nuclear Energy University Program Research and Development Portfolio According to Web of Science, NEUP has produced 2,345 journal publication that have been cited more than 61,000 times3 and countless conference proceedings. These publications are publicly available through OSTI.gov and in the open literature. Additional scientific and technical products including project milestones that are not publications and NEUP project final reports are vetted through OSTI.gov and released once reviewed and approved by DOE. Since 2009, NEUP has awarded close to 1,000 different R&D projects in technical areas across the NE research programs. As of June 2023, 512 NEUP reports are publicly available on OSTI. The underlying data for projects is still held at universities, and data transfer, co-location, and dissemination has not occurred in a systematic way. NEUP data is currently accessible through myriad university-based data repositories, or through direct requests to PIs. The program identified this patchwork of repositories, or often lack of publicly available data, as a significant barrier to an organized, accessible, and comprehensive solution to sharing data with the larger nuclear energy community. Approach The goal of this pilot project is to establish a pathway to a consolidated long-term repository for NEUP project data. To accomplish this goal, the pilot strives to accomplish the following objectives: Establish data collection standards, including a standard set of required supplementary information to contextualize and support raw data files. Work with the HPC group collect and upload information and to modify the NRDS system, as needed, to support a standardized approach. Resolve potential barriers to successful roll out of an expanded data collection strategy, including modifying data management plan guidelines and establishing a document and data release process that accounts for potential intellectual property and/or export control concerns. Results Overall, the pilot was successful in collecting 8,982 raw and processes data files, 220 reports, 56 calibration files, and 5,931 other supplementary documents. Supplementary documents included experimental plans, methods, journal publications and conference proceedings, milestone reports, and final reports. Figure 2 shows the number of data sets and supplementary project information provided by each project. Projects has significantly different input, depending on experimental data produced and completeness of the datasets provided.

Data collection↗

Soybean genomics research community strategic plan: A vision for 2024–2028

Abstract This strategic plan summarizes the major accomplishments achieved in the last quinquennial by the soybean [Glycine max(L.) Merr.] genetics and genomics research community and outlines key priorities for the next 5 years (2024–2028). This work is the result of deliberations among over 50 soybean researchers during a 2‐day workshop in St Louis, MO, USA, at the end of 2022. The plan is divided into seven traditional areas/disciplines: Breeding, Biotic Interactions, Physiology and Abiotic Stress, Functional Genomics, Biotechnology, Genomic Resources and Datasets, and Computational Resources. One additional section was added, Training the Next Generation of Soybean Researchers, when it was identified as a pressing issue during the workshop. This installment of the soybean genomics strategic plan provides a snapshot of recent progress while looking at future goals that will improve resources and enable innovation among the community of basic and applied soybean researchers. We hope that this work will inform our community and increase support for soybean research.

Genetics & Heredity↗

A full-scope, high-fidelity simulator-based hardware-in-the-loop testbed for comprehensive nuclear power plant cybersecurity research

Nuclear power plant (NPP) cybersecurity research often relies on hardware-in-the-loop (HIL) testbeds that integrate real hardware components into simulated environments. These testbeds allow researchers to identify vulnerabilities, evaluate attack impacts, and test security measures in a controlled setting. Furthermore, previous HIL testbeds lacked fidelity to accurately represent real nuclear systems, limiting the scope of cybersecurity analysis. This study presents the creation of a HIL testbed, devised upon a full-scope, high-fidelity NPP simulator, to facilitate realistic and comprehensive cybersecurity research. To demonstrate its capabilities, the control logic for the steam generator water level was migrated from the simulator to an external programmable logic controller. As a practical application of the developed testbed, supply chain attack scenarios were simulated by injecting malicious code into the controller logic, and the effects of manipulating sensor inputs and control commands were observed. While this HIL testbed provides more detailed simulations, enhanced realism, and wider applicability compared to other options utilizing a less complex simulator, it is also more intricate and costly. For this reason, we include a detailed comparison with some alternative architectures to aid fellow researchers and practitioners in the selection of a suitable HIL architecture based on specific research objectives.

47 OTHER INSTRUMENTATION↗

Advances in vat photopolymerization: early-career researchers shine light on a path forward

Vat photopolymerization (VP) has emerged as a promising additive manufacturing technique to allow rapid light-based fabrication of 3D objects from a liquid resin. Research in the field of vat photopolymerization spans across multiple disciplines from engineering and materials science to applied chemistry and physics. This perspective brings together early-career researchers from various disciplines in academia and national laboratories around the world to summarize the most recent advancements with special emphasis on the research highlighted as part of the Gordon Research Conference (GRC) 2024 meeting on Additive Manufacturing of Soft Materials. We provide an outlook on next-generation polymer processing methods from synthesis of novel materials to multimodality manufacturing and performance engineering. Further, this article combines the ideas of many of these junior researchers to present a vision for the future of the field by highlighting the challenges and opportunities that lie ahead.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Wind Turbine Rotors of the Future: A Research Agenda from the Big Adaptive Rotor Project

This white paper outlines a roadmap to inform future research efforts around the wind turbine rotors of the future. The document is authored by researchers that have been working on the Big Adaptive Rotor (BAR) and related initiatives at the National Renewable Energy Laboratory and Sandia National Laboratories. The Wind Energy Technologies Office of the U.S. Department of Energy has been funding BAR since 2018. The learnings from BAR have been documented in dozens of publications. This new paper identifies unresolved critical challenges in wind turbine rotor technology and structures them in four large topic areas: 1. Predictive and validated numerical tools. 2. Design methods and standards. 3. Improvements in manufacturing. 4. Technological innovations. Although wind turbines have not changed in their core architecture, with the market almost entirely dominated by three-bladed upwind rotors, a vast amount of research has allowed to introduce technological innovations resulting in a reduction in levelized cost of energy that made wind competitive with all traditional sources of electricity. Focusing on the rotor, blades will keep following the trend of mass and stiffness reduction, will adopt segmentation, and will keep growing in length, both land-based and offshore. To support this continuous innovation, this white paper argues that research efforts in rotor technology at the national labs are best directed to the first three topic areas and to low technology-readiness-levels (1-3) innovations, leaving the task of implementing higher-TRL (4-9) technological innovations to industry stakeholders. This research roadmap is also well aligned with the upcoming roadmap defined during the International Energy Agency 109th Topical Expert Meeting on the Grand Challenges of Wind Energy.

17 WIND ENERGY↗

Late-Stage Research Development and Demonstration Sub-activities Updates – FY24 Q3

Oak Ridge National Laboratory (ORNL), in collaboration with the Pacific Northwest National Laboratory (PNNL), the National Renewable Energy Laboratory (NREL), the Lawrence Berkeley National Laboratory (LBNL), and the Hummingbird Firm (a specialized consulting firm focused on promoting diversity, equity, and inclusion considerations), has initiated a national initiative known as the Heat Pump (HP) and Heat Pump Water Heater (HPWH) Field Validation Partnership. This effort involves active participation from numerous critical entities involved in research and market transformation within the field. The ORNL team is responsible for leading Late-Stage Research Development and Demonstration (LSRDD) among the four different topics. The overall outcomes of this project will be: (1) A structured Field Validation Partnership between DOE, the national labs, research, implementation, and market transformation organizations. This will result in unique way to coordinate field validation plans and collect relevant data from around the country into the HP and HPWH Field Validation Database. (2) The Field Validation Partnership will result in a continuous stream of information between DOE and the major industry players in the space of HPs and HPWHs. If desired, DOE could use this information to inform roadmaps related to HP and HPWH market adoption and research going forward. (3) The structure of this Partnership provides a mechanism for sharing lessons learned directly between Late-Stage RD&D, Building Integration Barriers, Regional Market and Policy and Workforce Development efforts. The result will be training content that is well-reviewed by the Partnership which will lead to a workforce that meets the industry’s quality and workforce supply demands. (4) The structure of this Partnership also provides an opportunity for regions to share lessons learned on policy and market transformation with each other through the Market and Policy core Committee. This report includes an update in Late-Stage Research Development and Demonstration.

99 GENERAL AND MISCELLANEOUS↗

Research to Address Technical Barriers to Expanded Markets for Biodiesel and Biodiesel Blends (CRADA Final Report)

NREL and the Clean Fuels Alliance America (CFAA) will work cooperatively to assess the effects of biodiesel blends on the performance of modern diesel engines. This work will include research to understand the impact of biodiesel blends on the operation and durability of particle filters and NO x control sorbents/catalysts, to quantify the effect on emission control systems performance, and to understand effects on engine component durability. This research was performed at NREL Renewable Fuels and Lubricants (REFUEL) laboratory (an engine testing laboratory) as well as at third party labs paid directly by CFAA with NREL as part of the project management team. Also, research to develop appropriate ASTM standards for biodiesel quality and stability was conducted in NREL’s bench scale fuel chemistry laboratory. The cooperative project involved laboratory testing and research at NREL using biodiesel from a variety of sources and in collaboration with a broad range of other stakeholders. In addition, NREL will work with NBB to set up an Industrial Steering Committee to design the scope for the various tasks and to provide technical oversight to these projects. NREL and NBB will cooperatively communicate the study results to as broad an audience as possible. This research benefits the public by expanding markets for a domestically produced low-carbon intensity fuel for use in diesel engines.

09 BIOMASS FUELS↗

Polymer Additive Manufacturing for Marine Renewable Energy Applications: Best Practices, Research Trends, and Current Challenges

Additive manufacturing (AM) is a rapidly growing technology space, not only for prototyping, but is also becoming more feasible at larger scales and increasing component quantities. There are a large variety of AM processes and materials available to users and effectively applying those processes and materials to a specific use case can be challenging. One specific area where AM could be particularly beneficial is marine renewable energy (MRE). Not only is MRE a relatively nascent industry with a near-term need for rapid deployments and prototype testing, but developers could also see long-term benefits from the broad variety of environmentally resistant materials available and the ability to manufacture complex geometries that AM technologies offer. Over the past 4 years, AM materials have played an increasing role in the Advanced Materials project; a multi-year, multi-laboratory research project funded by the U.S. Department of Energy's Water Power Technologies Office, with the main goal of reducing barriers to the adoption of complex materials in the MRE industry. The primary focus of this project is to develop test methods and generate datasets to understand the long-term performance of advanced materials in marine environmental and address specific material challenges as they arise. This report provides an extensive overview of the research that has been performed specific to AM polymers as part of the Advanced Materials project. The intention of this document is to provide recommendations of best practices with regards to material selection, mechanical test method development, and design practices, lessons learned along the way, current research trends, and ongoing challenges with regards to AM polymers in marine environments. In particular, this report focuses on several key aspects: Material and process selection, Environmental conditioning and subsequent degradation quantification through mechanical characterization, Composite reinforcements on AM polymer substrates, Adhesion of instrumentation for mechanical characterization and loads measurements, Protective coatings for preventing biofouling and water ingress, Other MRE case studies where AM has proved particularly useful. Ultimately, we hope that the test methods that have been developed, data generated, and lessons learned from this research will be valuable to the MRE community (researchers and developers alike), as well as other industries, and can be used as a reference point as the respective MRE and AM industries continue to grow and mature.

16 TIDAL AND WAVE POWER↗

Building research capacity in Southern Appalachian mountain wetlands

This project increased research capacity in Southern Appalachian wetlands by facilitating new collaborations between the PI (UNC Asheville) and DOE and academic research partners. Mountain wetlands are among the rarest natural communities in the Southern Appalachians; most of the sites contain rare or endangered species and have been incorporated into or are being considered for the new Mountain Bogs National Wildlife Refuge (established in 2015). PI Wilcox’s research since 2010 has focused on wetland hydrology at over a dozen priority field sites in western North Carolina, eastern Tennessee, and northern Georgia. This project provided time and funding to learn about DOE programs and resources, including meteorological data, watershed modeling programs, analytical capabilities, and computing facilities. PI Wilcox was able to meet potential research partners at professional conferences and the DOE-BER-ESS PI meeting and invite several of those potential partners to visit UNC Asheville and nearby field sites in Western North Carolina. These connections have resulted in three new collaborative research proposals, and a new cooperative agreement with the US Fish and Wildlife Service that includes two new field sites.

54 ENVIRONMENTAL SCIENCES↗

2025 Workshop on Envisioning Frontiers in AI and Computing for Biological Research: Position Papers

This workshop aims to identify key research directions for transforming biology using artificial intelligence (AI), machine learning (ML) and computational methods to facilitate the discovery of new behaviors, mechanisms, and designs of biological processes relevant to DOE missions, underpinning a broader U.S. bioeconomy. By developing novel AI/ML technologies to analyze and interpret complex biological data, researchers can organize and simulate biological processes at various scales as well as advance predictive understanding and manipulation of biological systems. This integration of computation, experimentation, and next-generation experimental technologies can lead to discoveries in new biological behaviors and mechanisms relevant to DOE missions. The focus is on how advanced computational and mathematical methods can impact this mission by exploring digital twins, foundation models, automated laboratory experiments, modeling of complex living systems, and data-driven approaches for the biodesign of plants and microbial systems. While data management is important, it is not the primary focus of this workshop, which will assess the current state, trends, and AI/ML challenges at the interface between biology and computational science to identify opportunities for high-impact research at their intersection. The goal is to define research needs and opportunities that align with biological sciences, computational sciences, and applied mathematics research.

59 BASIC BIOLOGICAL SCIENCES↗

Research Traineeships for Students from Minority Serving Institutions in Nuclear Physics at the University of Texas at Arlington (Final Technical Report)

This project supported research traineeships for students of minority serving institutions in Texas to perform nuclear physics research at the University of Texas at Arlington, an R1 research university in the Dallas Fort Worth metroplex. UTA is the leading US institution on the NEXT neutrinoless double beta decay collaboration, and students were paired with junior and senior mentors and undertook research projects in our Nuclear Physics (NP) research laboratories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Laboratory Directed Research and Development Program: FY 2024 Completed Projects Report

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory. It possesses distinctive capabilities in a variety of fields, such as neutron science, computing, advanced materials, and nuclear science and technology. Using these capabilities, ORNL conducts basic and applied research and development (R&D) to support DOE’s overarching mission “to ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.” As a national resource, ORNL also applies its capabilities and skills to the specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) Program. Information about the laboratory and its programs is available on the ORNL website. The Laboratory Directed Research and Development (LDRD) Program at ORNL operates under the authority of DOE Order 413.2C, Laboratory Directed Research and Development,3 which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD Program funds are obtained through a charge to all laboratory programs. Although it represents a relatively small portion of the overall research budget, the LDRD Program plays an essential role in maintaining the laboratory’s ability to respond to national needs. The program allows ORNL to improve its distinctive capabilities and to enhance its ability to conduct cutting-edge R&D. In accordance with the DOE order, R&D projects funded through the LDRD Program at ORNL support the goals of • maintaining the scientific and technical vitality of the laboratory; • enhancing the laboratory’s ability to address future DOE missions; • fostering creativity and stimulating exploration of forefront areas of science and technology; • serving as a proving ground for new concepts in R&D; and • supporting high-risk, potentially high-value R&D. This report provides an overview of the LDRD Program at ORNL in FY 2024 and contains summaries of all the LDRD research projects that concluded between October 1, 2023, and September 30, 2024.

99 GENERAL AND MISCELLANEOUS↗

S&TR Oct/Nov 2025 Research SLAM! issue

Postdoctoral research offers value to Lawrence Livermore’s scientific and technological efforts. Uplifting early-career researchers as the next generation of scientists benefits their futures and the Laboratory’s. Taking inspiration from the University of California Grad Slam, which challenges participants to explain their theses in three minutes, the Research SLAM at Livermore provides postdoctoral researchers an opportunity to share their research while honing their communication skills and preparing them for a career in collaborative science. The first spinoff of the Livermore SLAM extended the competition to all Department of Energy (DOE) national laboratories in the San Francisco Bay Area. A competition among DOE national laboratories across the country has followed, spurring a nationwide appreciation for budding scientists and the art of connecting high-level science with the nonexpert.

organic↗

RDPP: Accelerating Diversity in DOE Climate Science and Resilience Research (Final Report)

The scope of the project was set out to accelerate the inclusion of diversity into the Department of Energy (DOE) Earth and Environmental Systems Sciences Division (EESSD) relevant climate science and resilience research to inclusively advance solutions. The Project Objectives were to usher in equitable use-inspired climate-related research with underrepresented Minorities of which this project helped fund 7 HU graduate students work with the DOE (three of which will graduate in Spring 2025). The two key aims underpinning that core goal were AIM1: developing partnerships (18 organized engaged, see partners list) and AIM2: Developing capabilities (3 visits to DOE facilities, 5 DOE partners visits to HU, increased visiting faculty participation in BNL-DOE lab, secured 5 grants together totaling 1.2 million in funds for HU). The project objectives were highly successful as they were designed to ambitiously pull together DOE lab researchers with the long-standing and successful transdisciplinary climate science research programs of the PI and local DC groups. The major outcomes of this RDPP program will be in the new fundamentally inclusive partnerships with DOE and HU tasked to understand the urban-rural impacts due to climate change in the US, Eastern South Atlantic (ESA) Region, related to energy issues driven by heat stress and the water cycle. Overall, this project contributes to the DOE and science community vision for catalyze connections for project-ready underrepresented minorities (URMs) at a prominent HBCU to DOE projects supported by the Biological and Environmental research (BER) Program; particularly, the Earth and Environmental Systems Sciences Division (EESSD).

54 ENVIRONMENTAL SCIENCES↗

Ornamental origins and genomic frontiers: a review of big-bracted dogwood research

The big-bracted (Benthamidia) dogwood clade consists of small- to medium-sized deciduous trees within the genus Cornus, known for their showy spring-time floral bract display. Cornus is within the family Cornaceae and order Cornales, and as Cornales is one of the earliest diverging asterids, these taxa have been important for phylogenetic research. Three species within the big-bracted clade, flowering (Cornus florida), kousa (C. kousa), and Pacific (C. nuttallii) dogwoods, are popular ornamental landscape plants in North America, with more than 130 cultivars released. Despite their commercial popularity, numerous research gaps have limited the expansion of fundamental research and dogwood breeding programs. In this present review, we aim to provide a thorough overview of our current understanding of 1) the phylogenetic and biogeographic context, 2) plant biology and major pests and pathogens impacting commercialization, 3) historical commercialization and propagation methods, and 4) genetic and genomic resources and how they have been implemented to understand these species. Research gaps and future directions to advance basic research and breeding of big-bracted ornamental dogwoods are discussed throughout.

Cornus florida↗