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At least 1,009 records · Page 56

IER-517: Molybdenum Optimized Benchmark System Demonstrating Integral Correlations (MOBY DICK)

Nuclear criticality experiments are essential to the validation of nuclear data used in simulation software. The quality of nuclear data becomes paramount as simulation software becomes more relied upon for criticality safety studies and designs of nuclear systems. To improve the quality of nuclear data, experimenters can design critical experiments that are sensitive to isotope reaction pairs in materials of interest. The efforts conducted by the Organisation for Economic Co-operation and Development - Nuclear Energy Agency (OECD-NEA) Working Party on Nuclear Criticality Safety (WPNCS) Subgroup 8: Preservation of Expert Knowledge and Judgement Applied to Criticality Benchmarks (SG8) to categorize benchmarks according to their usefulness for nuclear data validation have been of great importance. Based on the OECD studies benchmark experiments included in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook are concisely used by nuclear data evaluators, criticality safety engineers and others to validate nuclear data and simulation results. A lack of benchmarks sensitive to molybdenum in the (ICSBEP), particularly in the intermediate range, was noted by Los Alamos National Laboratory (LANL), the French Institut de Radioprotection et de Sûreté Nucléaire (IRSN), and Y-12 National Security Site prompting them to submit a joint integral experiment request to the Nuclear Criticality Safety Program (NCSP) in 2019. The request included both HEU and Plutonium systems in order to validate differential nuclear data focusing on the intermediate energy range but also includes thermal and fast configurations. This document represents the preliminary design work for a series of molybdenum integral experiments known as Molybdenum Optimized Benchmark System Demonstrating Integral Correlations (MOBY DICK).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Integrating microbial communities into algal biotechnology: a pathway to enhanced commercialization

Microalgae are increasingly recognized for their potential in wastewater treatment and the sustainable production of feedstock for fuel, feed, food, and other bioproducts. Like conventional agricultural systems, algal cultivation involves complex microbial communities. However, despite their pivotal role in cultivation outcomes, especially at the commodity-scale, the critical interactions between microalgae and their microbiomes are often overlooked. Here we synthesize current knowledge on the taxonomic diversity, ecological roles, and biotechnological potential of algal microbiomes, with a focus on their interactions with algal hosts through nutrient exchange, growth modulation, pathogen defense, and environmental conditioning. We also examine how environmental factors such as nutrient availability, salinity, and temperature influence these interactions. Advances in microbiome engineering, including synthetic biology and ecological approaches, offer opportunities to enhance beneficial algal-microbiome interactions, thereby improving growth, resilience, and yield. These advancements could lead to more sustainable and economically viable microalgae cultivation, with far-reaching implications for environmental management and biotechnological innovation. By addressing key economic and environmental barriers, microbiome engineering holds transformative potential to revolutionize large-scale algae cultivation and provide sustainable solutions to global challenges.

Microbiology↗

BUILDING 9204-4

Building 9204-4 is associated with the Y-12 Plant located on the Oak Ridge Reservation, which was originally developed during World War II. Building 9204-2 (Beta-4) functioned as a uranium enrichment facility during World War II and furthered the plant’s mission of producing enriched uranium for the atomic bomb. Following the Manhattan era, Building 9204-4 functioned as a nuclear weapons production facility. As a Beta processing facility associated with the Manhattan Project, and later serving as the site for the production of nuclear weapon components during the Cold War years. Building 9204-4 aided in the development of wholly new technology and substantially advanced the field of nuclear science. In terms of facility planning, project engineers originally designed all Alpha and Beta buildings with “zero tolerance” for building for movement or settling as the successful operation of the Y-12 Plant’s calutrons depended on absolute structural stability.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Thermal properties of simulated Hanford waste glasses

Abstract The Hanford Tank Waste Treatment and Immobilization Plant will vitrify the mixed hazardous wastes generated from 45 years of plutonium production at the Hanford Site in Washington State. The molten glasses will be poured into stainless steel containers or canisters and subsequently cooled for storage and disposal. For appropriate facility design and operations to handle such highly energy‐consuming processes, knowledge of the material properties is required. The thermal properties (heat capacity, thermal diffusivity, and thermal conductivity) of representative high‐level and low‐activity waste glasses were studied as functions of temperature in the range of 200°C‐800°C (relevant to the cooling process). Simultaneous differential scanning calorimetry‐thermal gravimetry (DSC‐TGA), Xe‐flash diffusivity, pycnometry, and dilatometry were implemented. The study showed that simultaneous DSC‐TGA would be a reliable method for obtaining the heat capacity of various glasses in the temperature range of interest. Accurate thermal properties from this study were shown to provide a more realistic guideline for capacity and time constraints of the heat removal process when compared to the original conservative design‐basis engineering estimates. The estimates, though useful for design in the absence of measured physical properties, can now be supplanted and the measured thermal properties can be used in design verification activities.

Rodriguez, Carmen P.↗

Measurement of crack length in width tapered beam experiments

The width tapered beam method for measuring fracture toughness has been contemplated for use in measuring the adhesion of photovoltaic materials, is promoted by it being a viable method for use directly on modules rather than to engineered test specimens. However, precise determination of crack length is often difficult as failure often involves tendril formation, cavitation voids, and other plastic deformation at the crack front in addition to obfuscation by opaque materials. Because fracture energy varies as the square of crack length, imprecise crack tip length results in large measurement uncertainties. In this work, we develop a method to estimate the crack tip length using the relationship between the applied force and the displacement of the load frame. The crack tip is determined for every data point and can be defined from a calibration curve related to the amount of energy put into the beam, or from a theoretically idealized estimation. Once a calibration curve is set up and the equations programmed, the fracture energy as a function of position on the newly formed crack interface can be accurately estimated. The test additionally provides much easier analysis and insight into the joint failure through more precise knowledge of fracture toughness at each de-bonded area.

42 ENGINEERING↗

Material processing, microstructure, and composite properties of low carbon Engineered Cementitious Composites (ECC)

Traditional PVA fiber-reinforced Engineered Cementitious Composites (ECC) show high tensile ductility and superior durability with tight crack width, but the high cost and embodied carbon can hinder its wider application in infrastructures. The objective of this study is to develop a better understanding of the fresh and hardened properties of an ECC that employs a lower embodied-carbon binder, Limestone Calcined Clay Cement (LC3), and lower-cost PP fiber that is widely available. Specifically, the interrelations between material processing, microstructure, and composite properties were studied experimentally. The results showed that ECC with high tensile ductility up to 9% tensile strain and tight crack width with 50 μm at 2% tensile strain can be achieved. It was found that a matrix paste with higher viscosity generally enhanced fiber dispersion uniformity and robustness in tensile strain-hardening. The paste viscosity is increased when OPC is replaced by LC3 and can be tuned with superplasticizer content. Larger maximum flaw size leads to lower first crack strength, beneficial for microcrack initiation and multiple cracking. This study generates fundamental knowledge linking processing-microstructure-performance of PP-LC3-ECC. This class of low embodied carbon ECC with tight crack width is expected to contribute to reducing the carbon footprint of the built environment.

36 MATERIALS SCIENCE↗

Curating a comprehensive set of enzymatic reaction rules for efficient novel biosynthetic pathway design

Enzyme substrate promiscuity has significant implications for metabolic engineering. The ability to predict the space of possible enzymatic side reactions is crucial for elucidating underground metabolic networks in microorganisms, as well as harnessing novel biosynthetic capabilities of enzymes to produce desired chemicals. Reaction rule-based cheminformatics platforms have been implemented to computationally enumerate possible promiscuous reactions, relying on existing knowledge of enzymatic transformations to inform novel reactions. However, past versions of curated reaction rules have been limited by a lack of comprehensiveness in representing all possible transformations, as well as the need to prune rules to enhance computational efficiency in pathway expansion. To this end, we curated a set of 1224 most generalized reaction rules, automatically abstracted from atom-mapped MetaCyc reactions and verified to uniquely cover all common enzymatic transformations. Additionally, we developed a framework to systematically identify and correct redundancies and errors in the curation process, resulting in a minimal, yet comprehensive, rule set. These reaction rules were capable of reproducing more than 85% of all reactions in the KEGG and BRENDA databases, for which a large fraction of reactions is not present in MetaCyc. Our rules exceed all previously published rule sets for which reproduction was possible in this coverage analysis, which allows for the exploration of a larger space of known enzymatic transformations. By leveraging the entire knowledge of possible metabolic reactions through generalized enzymatic reaction rules, we are able to better utilize underground metabolic pathways and accelerate novel biosynthetic pathway design to enable bioproduction towards a wider range of new molecules.

59 BASIC BIOLOGICAL SCIENCES↗

The Overlooked Potential of Sulfated Zirconia: Reexamining Solid Superacidity Toward the Controlled Depolymerization of Polyolefins

Closed-loop recycling via an efficient chemical process can help alleviate the global plastic waste crisis. However, conventional depolymerization methods for polyolefins, which compose more than 50% of plastics, demand high temperatures and pressures, employ precious noble metals, and yield complex mixtures of products limited to single-use fuels or oils. Superacidic sulfated zirconia (SZrO) with Hammet Acidity Functions (H 0 ) = -12 (i.e., stronger than 100% H 2 SO 4 ) is an industrially deployed heterogeneous catalyst capable of activating hydrocarbons under mild conditions and is shown to decompose polyolefins at ambient pressure and temperatures near 200 °C. Additionally, confinement of active sites in porous supports is known to radically increase selectivity, coking and sintering resistance, and acid site activity, presenting a possible approach to low-energy polyolefin depolymerization. However, a critical examination of the literature on SZrO led us to a surprising conclusion: despite 40 years of catalytic study, engineering, and industrial use, the surface chemistry of SZrO is poorly understood. Ostensibly spurred by SZrO's impressive catalytic activity, the application-driven study of SZrO has resulted in deleterious ambiguity in requisite synthetic conditions and insufficient characterization of acidity, porosity, and active site structure. Here, this ambiguity has produced significant knowledge gaps surrounding the synthesis, structure, and mechanisms of hydrocarbon activation for optimized SZrO, stunting the potential of this catalyst in olefin cracking and other industrially relevant reactions, such as isomerization, esterification, and alkylation. Toward mitigating these long extant issues, we herein identify and highlight these current shortcomings and knowledge gaps, propose explicit guidelines for characterization of and reporting on characterization of solid acidity, and discuss the potential of pore-confined superacids in the efficient and selective depolymerization of polyolefins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Report 1: International Cooperation to Development of Strategy and R&D Collaboration for Substitution of Rare Earth Resources and Report 2: Development of Magnetocaloric Alloys without Critical Elements

A Memorandum of Understanding was signed between the Ames Laboratory and Korea Institute of Industrial Technology (KITECH) in April of 2011 to establish a close cooperative relationship of research on Rare Metals. The Ames Laboratory through its operating contractor, Iowa State University, and the KITECH, as one of the goals of a joint Memorandum of Understanding, made agreement on a Cooperative Research and Development Agreement (CRADA) for a personnel exchange in April of 2012. Ames Laboratory and KITECH would be jointly performing collaboration work in this cooperation as the Parties. The individual backgrounds and capabilities of the Parties are ideally suited to the successful execution of this work. The Ames Laboratory has a history spanning more than 60 years of pioneering work in rare-earth (RE) research. With its team of internationally recognized rare-earth experts, the Ames Laboratory is uniquely positioned to provide the knowledge, expertise and training necessary to help ensure a global leadership position for the United States in rare-earth research, development and applications. The KITECH was founded to promote technological capability of small and medium-sized enterprises in Korea and has a mission of supporting research on materials science and engineering in Korea. In 2009, Korea Institute for Rare Metals (KIRAM) at KITECH was established. KIRAM makes selection and funding decisions for technology projects for strategic rare metals, and provides oversight of R&D programs. The KIRAM is focusing on the commercialization and recycling of particular rare metals. In addition KIRAM will be coordinating government, local universities, and small to medium enterprises to facilitate R&D support for core technologies. KIRAM will be carrying them through to commercialization, and establishing new industry.

36 MATERIALS SCIENCE↗

2019 Argonne Leadership Computing Facility Science Report

The Argonne Leadership Computing Facility (ALCF) is a U.S. Department of Energy (DOE) Office of Science User Facility that enables breakthroughs in science and engineering by providing supercomputing resources and expertise to the research community. ALCF computing resources - available to researchers from academia, industry, and government agencies - support large-scale computing projects aimed at solving some of the world’s most complex and challenging scientific problems. Through awards of supercomputing time and support services, the ALCF enables its users to accelerate the pace of discovery and innovation across disciplines.

36 MATERIALS SCIENCE↗

A Review and Perspective on Particulate Matter Indices Linking Fuel Composition to Particulate Emissions from Gasoline Engines

Particulate matter (PM) indices - those linking PM emissions from gasoline engines to the composition and properties of the fuel - have been a topic of significant study over the last decade. It has long been known that fuel composition has a significant impact on particulate emissions from gasoline engines. Since gasoline direct injection (GDI) engines have become the market-leading technology, this has become more significant because the evaporative behavior of fuel increases in importance. Several PM indices have been developed to provide metrics describing this behavior and correlating PM emissions. In this article, 16 different PM indices are identified and collected - to the authors' knowledge, all of the indices are available at the time of writing. The indices are reviewed and discussed in the context of the information required to calculate them, as well as their utility. Additionally, the authors believe that there is a need for indices that provide both a detailed and robust correlation, as well as those that are less sophisticated yet sufficient for specific use cases. Future research is suggested to guide the technical community toward improvements in the indices' methods and equations for both high and low fidelity and high and low time investment.

33 ADVANCED PROPULSION SYSTEMS↗

U.S. Department of Energy/Argonne National Laboratory Training Courses for Packaging, Transportation, and Storage of Radioactive Material - 17269

The U.S. Department of Energy (DOE) Packaging Certification Program (PCP), Office of Packaging and Transportation, Office of Environmental Management, has sponsored a suite of training courses that have been conducted since the early 1990s. Of these training courses, Argonne National Laboratory (Argonne) conducts three courses: (1) Quality Assurance (QA) for Radioactive Material Packaging, (2) American Society for Mechanical Engineers (ASME) Pressure Vessel Code for Nuclear Transport and Storage, and (3) Nuclear and Other Radioactive Materials Transport Security. Argonne has been working with the University of Nevada, Reno, to develop an accredited graduate-level program in nuclear packaging. The Graduate Certificate in Nuclear Packaging (GCNP) program provides an applied knowledge-based curriculum in packaging for nuclear and radioactive materials that complements other graduate programs at the University (for additional information, see https://www.unr.edu/degrees/nuclear-packaging/certificate). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evaluation of American Indian Science and Engineering Society Intertribal Middle School Science and Math Bowl Project

The American Indian Science and Engineering Society (AISES) has been funded under a U.S. Department of Energy (DOE) grant (Grant Award No. DE-SC0004058) to host an Intertribal Middle-School Science and Math Bowl (IMSSMB) comprised of teams made up of a majority of American Indian students from Bureau of Indian Education-funded schools and public schools. The intent of the AISES middle school science and math bowl is to increase participation of American Indian students at the DOE-sponsored National Science Bowl. Although national in its recruitment scope, the AISES Intertribal Science and Math Bowl is considered a “regional” science bowl, equivalent to the other 50 regional science bowls which are geographically limited to states. Most regional bowls do not have American Indian student teams competing, hence the AISES bowl is meant to encourage American Indian student teams to increase their science knowledge in order to participate at the national level. The AISES competition brings together teams from various American Indian communities across the nation. Each team is provided with funds for travel to and from the event, as well as for lodging and meals. In 2011 and 2012, there were 10 teams participating; in 2013, the number of teams participating doubled to 20. Each Science and Math Bowl team is comprised of four middle school — grades 6 through 8 — students, one alternate, and a teacher who serves as advisor and coach — although in at least two cases, the coach was not a teacher, but was the Indian Education Coordinator. Each team member must have at least a 3.0 GPA. Furthermore, the majority of students in each team must be comprised of American Indian, Alaska Native or Native Hawaiian students. Under the current DOE grant, AISES sponsored three annual middle school science bowl competitions over the years 2011, 2012 and 2013. The science and math bowls have been held in late March concurrently with the National American Indian Science and Engineering Fair (NAISEF) and EXPO at the Albuquerque, NM Convention Center. Albuquerque is also the home of the AISES national office. The AISES staff also recruits volunteers to assist with implementation of the science and math bowl event. In 2011, there were 7 volunteers; in 2012, 15 volunteers, and in 2013, 19 volunteers. Volunteers are recruited from a variety of local sources, including Sandia Laboratories, Southwest Indian Polytechnic Institute students, Department of Defense, as well as family members of AISES staff. For AISES, the goals of the Intertribal Middle School Science and Math Bowl project are to have more Native students learn science, for them to gain confidence in competing, and to reward their effort in order to motivate them to pursue studies in the sciences and engineering. For DOE, the goals of the project are to get more Native students to compete at the National Science Bowl, held in Washington, DC.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Design of a Novel Information System for Semi-Automated Management of Cybersecurity in Industrial Control Systems

There is an urgent need in many critical infrastructure sectors, including the energy sector, for attaining detailed insights into cybersecurity features and compliance with cybersecurity requirements related to their Operational Technology (OT) deployments. Frequent feature changes of OT devices interfere with this need, posing a great risk to customers. One effective way to address this challenge is via a semi-automated cyber-physical security assurance approach, which enables verification and validation of the OT device cybersecurity claims against actual capabilities, both pre- and post-deployment. To realize this approach, this paper presents new methodology and algorithms to automatically identify cybersecurity-related claims expressed in natural language form in ICS device documents. Here, we developed an identification process that employs natural language processing (NLP) techniques with the goal of semi-automated vetting of detected claims against their device implementation. We also present our novel NLP components for verifying feature claims against relevant cybersecurity requirements. The verification pipeline includes components such as automated vendor identification, device document curation, feature claim identification utilizing sentiment analysis for conflict resolution, and reporting of features that are claimed to be supported or indicated as unsupported. Our novel matching engine represents the first automated information system available in the cybersecurity domain that directly aids the generation of ICS compliance reports.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Top Ten Weapons Breakthrough in Los Alamos' History

The dawn of the Nuclear Age occurred on the morning of July 16,1945, when Los Alamos conducted the Trinity test. Scientists and engineers from the U.S., Britain, and Canada proved the feasibility of weaponizing energy from plutonium nuclear fission using an implosion mechanism.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE National Laboratories: Vital to U.S. science and technology [Slides]

DOE has extremely challenging and diverse missions, each born out of national need. The national labs serve as the science and technology engine for DOE missions. Each Lab stewards distinctive capabilities which DOE leverages through networks of labs address core missions, dynamic programs and rapid response needs. National lab networks have transformative impact.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Southeast Regional CO 2 Utilization and Storage Acceleration Partnership (SECARB-USA): Initial Inventory of Non-Technical Challenges to CCUS Deployment

The “Southeast Regional CO 2 Utilization and Storage Acceleration Partnership” (SECARBUSA) project supports the U.S. Department of Energy (DOE) Office of Fossil Energy's (FE) mission to help the United States meet its need for secure, affordable, and environmentally sound fossil energy supplies by utilizing the advancements made by the current Regional Carbon Sequestration Partnership (RCSP) Initiative to continue to identify and address knowledge gaps. The primary project objective is to identify and address regional onshore storage and transport challenges facing commercial deployment of carbon dioxide (CO 2 ) capture, utilization, and storage (CCUS) technologies. The Research Partners and a selected industry network of experienced CCUS project developers and operators will coordinate their capabilities to accelerate CCUS deployment by achieving four primary research objectives: 1) address key technical challenges; 2) facilitate data collection, sharing and analysis; 3) assess transportation and distribution infrastructure; and 4) promote regional technology transfer and dissemination of knowledge. The SECARB-USA Region includes the states of Alabama, Arkansas, Florida, Georgia, Louisiana, Mississippi, North Carolina, South Carolina, Tennessee, and Virginia and portions of Kentucky, Missouri, Oklahoma, Texas, and West Virginia. Under subtask 5.2: Non-Technical Challenges to CCUS Deployment, the Southern States Energy Board (SSEB) will define and identify An Inventory of Non-Technical Challenges to CCUS Deployment. As an initial step, SSEB organized an Industry and Non-Governmental Organization (NGO) Working Group comprised of knowledgeable market participants to assist in the development of an initial list of non-technical challenges to CCUS development.

42 ENGINEERING↗

Designing Phononic Crystals with Wide and Robust Band Gaps

Here, phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

36 MATERIALS SCIENCE↗