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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Canadian Nuclear Laboratories Waste Management: Challenges and the Integrated Waste Strategy - 19160

Canadian Nuclear Laboratories (CNL) currently faces various waste management challenges and CNL's Integrated Waste Strategy is adapting to manage them. As Canada's premier nuclear science and technology organization, CNL is a global leader in developing peaceful and innovative applications from nuclear technology through its expertise in the scientific field, including physics, metallurgy, chemistry, biology and engineering. As demands change, CNL is shifting its focus to alpha therapies for cancer treatments and sustainable energy solutions. The next decade will see CNL decommission the sites it manages across Canada, whilst transforming Chalk River Laboratories (CRL) into a new, world-class facility which will have the capability to demonstrate the commercial viability of advanced reactor designs including Small Modular Reactors (SMRs). This is being enabled through an accelerated decommissioning program for all CNL operated sites, while renovating CRL, which includes revitalizing essential site infrastructure, and investment in new, world-class science facilities in a modern campus environment. With decommissioning and revitalization occurring simultaneously, the long-term strategy and vision for CNL presents some unique challenges to waste management. Therefore, integrated, collaborative and coordinated waste management is a vital component to ensuring a successful future. The Integrated Waste Strategy coordinates, and provides alignment of, waste management across CNL and: - Includes all CNL operated (Atomic Energy of Canada Limited (AECL) owned) sites; - Considers all CNL managed waste (including radioactive and non-radioactive operational, decommissioning, legacy and historic waste) for the planned lifetime of the sites; - Defines waste routes using a life cycle approach (from the generation of waste to final disposal) A baseline Integrated Waste Strategy and associated action plan to mitigate identified gaps and issues have been produced. A program of work is underway to close those gaps identified in a consistent, transparent, prioritized and justified manner. One of the key challenges is to ensure that waste management planning is completed effectively and in a timely manner. This will enable the provision of suitable and sufficient waste capability to meet CNL's long-term strategy. The Integrated Waste Strategy has been developed and maintained through engagement at all levels across CNL, ensuring buy-in of proposed solutions. Key process stakeholders include generators of CNL managed waste to ensure integrated consideration of legacy, current and future waste generation; waste management personnel to identify requirements, including processing, storage, transport and disposal; AECL as the client and waste liability owner; and the public to ensure they understand the 'big picture' regarding waste strategy. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

PhILMs: Collaboratory on Mathematics and Physics-Informed Learning Machines for Multiscale and Multiphysics Problems

The landscape of computational science and engineering is continually evolving, with the challenge of high-dimensional regression problems standing as a significant hurdle in numerous scientific endeavors. Addressing this challenge, our research, funded by this award, has led to the development of an innovative computational framework known as Probabilistic Partition of Unity Networks (PPOU-Nets). This initiative represents a collaborative effort to harness the potential of mathematics and physics-informed machine learning in tackling multiscale and multiphysics problems prevalent in high-dimensional spaces. Through this work, we have proposed a novel methodology that seamlessly integrates adaptive dimensionality reduction and a mixture of experts model, thereby facilitating a more efficient and accurate approximation of complex functions. This research effort has not only advanced the state of computational science but also opened new avenues for exploration in quantum computing and beyond. This report outlines the motivation, methodology, key findings, and implications of our work, underscoring our contributions to the broader scientific community and the potential pathways for future research.

97 MATHEMATICS AND COMPUTING↗

Fusion Blanket and Fuel Cycle Research at PNNL: FY22 Year-end Report

During the reporting period, research at PNNL focused on two tasks within the DOE Fusion Blanket and Fuel Cycle Program. Research on Task 1, Tritium Extraction from Pb-Li and He Using a Vacuum Permeator, focused on atomistic modeling to better understand tritium transport in Pd-coated V vacuum permeators. As a lower cost alternative to Pd permeators, thin coatings of Pd (or other noble metals) can be deposited over a substrate like V. However, the permeation performance of composite metal membranes degrades over time, due to the formation of intermetallics at the coating-substrate interface. Computational studies were performed to better understand tritium transport through these Pd-V intermetallics. The results of the FY22 Pd-V modeling study were recently submitted for publication in Computational Materials Science and presented at the Technology of Fusion Energy conference. Future work in this area will focus on interdiffusion barriers to prevent intermetallic formation that is deleterious to tritium transport. There are opportunities for collaboration with researchers at the Colorado School of Mines, who are manufacturing and testing candidate interdiffusion barriers. Research on Task 3, Solid Breeder Materials, included ion irradiation and post-irradiation characterization of lithium orthosilicate (Li 4 SiO 4 ) and lithium metasilicate (Li 2 SiO 3 ) to improve fundamental understanding of irradiation effects, in combination with atomistic modeling focused on the energetics of He clustering in these two ceramic phases. The results of the study suggested that the Li 4 SiO 4 phase, which is more desirable as a solid breeder due to its higher Li density, was amorphized during ion irradiation while the Li 2 SiO 3 phase appeared to be more resistant to irradiation damage. It is possible that Li loss contributed to the poor irradiation performance of the Li 4 SiO 4 , and some thoughts are provided regarding coatings that could be applied to solid breeders like this to prevent Li loss at elevated temperature while not hindering tritium diffusion. The results of the FY22 ion irradiation study were recently submitted for publication in Journal of Nuclear Materials and presented at the 22nd International Conference on Ion Beam Modification of Materials. Future work in this area will focus on Li-rich ceramics such as Li 5 AlO 4 and Li 8 ZrO 6 that have high Li density and should provide rapid tritium release based on previous work with less Li-rich ceramics.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Grid-Ready Energy Analytics Training with Data (“GREAT with Data”)

GridEd is a collaborative educational initiative consisting of the Electric Power Research Institute (EPRI), 5 Partner Universities (Stony Brook University, The University of Texas at Austin, University of California – Riverside, Virginia Tech, Washington State University), and participating industry sponsors. This educational initiative focuses on developing and training the next generation of power engineers so they can help shape the electric grid of the future by anticipating and fulfilling the needs of changing electric industry requirements. GridEd is leveraging electric industry research to educate a future electric grid workforce by empowering new and continuing education students, not only to become competent and well-informed engineers, but also to participate and influence major technological, social, and policy decisions that address critical global challenges. GridEd’s activities are centered around four core pillars: Enhancement of university power systems engineering curricula; Professional development and training for a diverse electric industry workforce; Stimulating students to join the movement for the next generation of power engineers, and; Improve workforce development efforts in the electric utility industry. Major accomplishments over the course of the project were: Over 50 unique professional short courses were delivered by more than 30 instructors across the GridEd network; Over 3,600 unique learners, many who took multiple courses, received more than 27,000 professional development hours (PDH) and over 1,000 certificates of completion; Approximately 2,900 unique learners undertook a course that was offered LIVE online or in-person; Approximately 700 unique learners undertook a course that was offered as computer-based training (CBT); Over 35 unique university courses were delivered by more than 30 instructors to 1,500 university students across the GridEd network; One-hundred-and-fifty-seven (157) students were funded to completed 43 student projects in topics of power systems and data science, and; Six (6) Historically Black Colleges and Universities (HBCUs) recruited as Affiliate Universities via Utility Partners. The professional training initiative and workforce development activities launched by this project will be sustained through EPRI’s collaborative business model with industry. Stimulating students to join the power engineering workforce of the future and the enhancement of tertiary training may continue to need government support.

14 SOLAR ENERGY↗

Building water resilience in the face of cascading wildfire risks

Severe wildfire is altering the natural and the built environment and posing risks to environmental and societal health and well-being, including cascading impacts to water systems and built water infrastructure. Research on wildfire-resilient water systems is growing but not keeping pace with the scale and severity of wildfire impacts, despite their intensifying threat. In this study, we evaluate the state of knowledge regarding wildfire-related hazards to water systems. We propose a holistic framework to assess interactions and feedback loops between water quality, quantity, and infrastructure hazards as determinants of post-fire water availability and access. Efforts to address the evolving threat of wildfires to water systems will require more interdisciplinary research on the complex relationships shaping wildfire’s threat to water availability and access. To support this, we need reliable long-term data availability, consistent metrics, greater research in shared contexts, more extensive research beyond the burn area, and multistakeholder collaboration on wildfire risks to water systems.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of AddUp Precision L-PBF Technology for Tooling and Other Industrial Applications

ORNL (Contractor) and AddUp Inc. (Participant) collaborated to enable the adoption of laser powder bed fusion for tooling applications, critical for reshoring the manufacturing sector in the U.S. Most of the work on laser powder bed fusion has focused on high value materials such as Ti-6Al-4V and Inconel 718 for niche applications in aerospace, biomedical and energy sectors. In this collaboration, ORNL and AddUp worked laser powder bed fusion of maraging steels for tooling applications while leveraging the unique ability of the AddUp laser powder bed fusion system to deposit fine powders. We demonstrated that the AddUp technology is capable of depositing complex artifacts and features such as overhangs within desired tolerances. We also showed that direct aging of the deposited parts result in simultaneously higher strength and elongation compared to the conventional two step heat treatments, which could result in significant energy savings. Finally, we developed thermos-kinetic models to enable design of heat treatments for optimal material properties compared to the energy intensive empirical methods currently used. The report summarizes the detailed findings of this collaboration.

36 MATERIALS SCIENCE↗

Social Aspects and Considerations for Agrivoltaics Implementation

Integrated PV technologies - such as agrivoltaics - have potential to address challenges associated with siting and land use for solar. This presentation provides an overview of agrivoltaic R&D activities in the United States and focuses on the non-technical aspects of implementation, specifically social considerations around collaboration, planning, and acceptance.

14 SOLAR ENERGY↗

Recent Progress on Radiation Damage Studies at RaDIATE

Recent major accelerator facilities have been limited in beam power by production target and beam window survivability, where radiation damage to their constituent materials has been identified as the most cross-cutting challenge facing these high power target facilities. The RaDIATE collaboration, Radiation Damage In Accelerator Target Environments, was formed in 2012 to address this challenge by bringing together experts from the fields of nuclear materials and accelerator target facilities. The collaboration conducted high intensity proton beam irradiation of test specimens at the Brookhaven Linac Isotope Producer (BLIP) facility at BNL, where the specimens, including candidate materials for various beam intercepting device applications, were provided by participating accelerator facilities. Post-Irradiation Examination (PIE) of the irradiated specimens is being conducted at participating nuclear/fusion research institutions with appropriate ``hot-cell'' facilities, such as Pacific Northwest National Laboratory (PNNL).The recent collaboration work also includes efforts to provide the samples irradiated at BLIP to in-beam thermal shock test at CERN's HiRadMat facility. It will be the first examination to observe how the radiation-damaged material will behave when exposed to actual beam loading conditions. In this talk up-to-date status of these experiments, PIEs, and prospect for the works conducted by the RaDIATE collaboration are over-viewed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗

The Data Mine model for accessible partnerships in data science

Abstract The Data Mine at Purdue University is a pioneering experiential learning community for undergraduate and graduate students of any background to learn data science. The first data‐intensive experience embedded in a large learning community, The Data Mine had nearly 1300 students in academic year (AY) 2022–2023 and nearly 1700 students for AY 2023–2024. The Data Mine embodies data‐infused education, research, and collaboration. Students learn Python, R, SQL, and shell‐scripting, while working on weekly projects within a high‐performance computing (HPC) cluster. In the Corporate Partners cohort, students work on teams of 5–15 students, led by a paid student team leader. Each cohort follows an Agile approach, working on data‐intensive projects provided by industry partners and mentored by company employees. Students develop professional and data skills throughout the academic year, from August through April. Many students return in subsequent years to the program, increasing their tenure with a Corporate Partner. Student teams are inherently interdisciplinary; students from 133 different majors are involved in the program, ranging from new incoming students through PhD level students. These interdisciplinary teams of students bring new perspectives to challenging problems in which data science is a key part of the solution. The interdisciplinary teams foster an environment of synthesis with ideas and solutions. Students come together with different life experiences, different levels of technical skill, but also varying ways they navigate paths to solutions because of the variety of majors represented, resulting in a more creative and robust solution than a traditional data science program. This article is categorized under: Applications of Computational Statistics > Education in Computational Statistics

Betz, Margaret A.↗

Microphysical-macrophysical interactions in low cloud systems over the Eastern North Atlantic

How low clouds over the oceans respond to changes in atmospheric greenhouse gases and aerosol particles is poorly understood. Climate model disagreement in these responses limits the accuracy of predictions of future climate. Processes governing the behavior of marine low cloud need to be improved in models and comprehensive long-term observations provide important constraints. Cloud structure and impacts on climate are shaped by processes operating on a wide range of time and space scales, which interact to modulate cloud dynamics, boundary layer structure, and precipitation. The Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) site at Graciosa Island (Azores, 28°W 39°N) began taking measurements in late 2013 to address the need for comprehensive cloud, aerosol, and meteorological observations in a remote marine low cloud environment. The site straddles the boundary between the subtropical and midlatitude climate zones in the eastern North Atlantic and experiences a great diversity of meteorological and cloud conditions. In addition, the ENA site is downwind of the North American continent and is periodically impacted by continental aerosol particles transported there on the prevailing winds. In response to a 2014 proposal call, our team (ENA Site Science Team) laid out a strategy to accelerate research focused on understanding the multi-scale interactions that shape cloud properties by maximizing the utility of the observational capabilities of the ENA site. The proposed work aligned with the scientific directions of the ASR Working Groups. The team, together with collaborators, conducted a program of research focused upon multi-scale cloud processes. The team worked with scientists both within and outside the Atmospheric System Research (ASR) program, and with the ARM infrastructure to ensure that the full potential of the ENA site is realized. The suite of instruments at the ENA site has been increasing since the site’s inception and is now essentially complete. In 2019, we laid out a two-year extension of the research, and were granted an extension of the Site Science award.

54 ENVIRONMENTAL SCIENCES↗

Topical Group on Application and Industry Community Engagement Frontier Snowmass 2021 (Summary Report)

HEP community leads and operates cutting-edge experiments for the DOE Office of Science which have challenging sensing, data processing, and computing requirements that far surpass typical industrial applications. To make necessary progress in the energy, material, and fundamental sciences, development of novel technologies is often required to enable these advanced detector and accelerator programs. Our capabilities include efficient co-design, which is a prerequisite to enable the deployment of advanced techniques in a scientific setting where development spans from rapid prototyping to robust and reliable production scale. This applies across the design spectrum from the low level fabrication techniques to the high level software development. It underpins the requirement for a holistic approach of innovation that accelerates the cycle of technology development and deployment. The challenges set by the next generation of experiments requires a collaborative approach between academia, industry and national labs. Just a single stakeholder will be unable to deliver the technologies required for the success of the scientific goals. Tools and techniques developed for High Energy Physics (HEP) research can accelerate scientific discovery more broadly across DOE Office of Science and other federal initiatives and also benefit industry applications.

43 PARTICLE ACCELERATORS↗

New approaches to Bayesian uncertainty quantification for Nuclear Science (Final Technical Report)

Inverse problems play a central role in experimentation and theory/data comparisons for many areas of modern Nuclear Physics (NP) and High-Energy Physics (HEP). Bayes’s Theorem is a powerful tool for solving Inverse Problems, providing conceptually transparent and unbiased constraints on theoretical parameters and their uncertainties (“Bayesian Inference”) and enabling the quantification of agreement or tension between models and data. However, analyses based on Bayesian Inference are often challenging for NP and HEP applications, either because of the large number of parameters in the problem, the high computational cost, or both. We propose a multi-institutional collaboration to develop and deploy novel Bayesian analysis tools that advance the scientific scope of a broad range of current and future NP experiments. This project brings together NP domain scientists working on several high-profile NP projects for which new, high-performance Bayesian Uncertainty Quantification (“Bayesian UQ”) methods are essential to carry out the science, and data scientists who are developing state-of-the-art methods applicable to these problems. The NP projects in this proposal comprise measurements of the mass and fundamental nature of the neutrino; study of the Quark-Gluon Plasma that filled the early universe; and mapping of natural and anthropogenic radiation environments. While these NP projects have very different scientific goals, with datasets and analysis approaches that differ significantly, they share common requirements for improving computationally intensive Bayesian analyses using advanced Machine Learning algorithms and will benefit strongly from a coherent effort to develop general solutions. This proposal brings together these projects and forefront ML-based data science algorithms to develop such general solutions. The methods developed in this project will also be more widely applicable, thereby advancing science in the larger Nuclear Physics portfolio.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Multi-Task with Procter and Gamble (CRADA No. NFE-10-02672)

The purpose of this Cooperative Research and Development Agreement (CRADA) between UT-Battelle, LLC (the “Contractor) and Procter & Gamble Company (the “Participant”) is the development of a research partnership to create new tools, tests and analytical methods to improve the performance, safety and/or environmental quality of chemicals, advanced materials, food products and manufacturing processes. The Participant operates in three global business units: Beauty, Health and Well-Being and Household Care. Some of its worldwide products include Head and Shoulders®, Pantene®, Gillette® razors and personal care products, Crest®, Dawn®, Tide®, Bounty®, Duracell® batteries; and Iams® pet food among others. At its core, however, the Participant is a science driven company. It supports one of the most robust industrial research and development (R&D) programs in the world. The Participant uses this rich foundation of science to drive innovation across all of its product lines. But the innovation process is not confined in-house The Participant pursues an “open innovation” policy, seeking partnerships with scientists and researchers in universities and national laboratories where it can contribute its extensive knowledge assets and collaborate to advance scientific understanding. The research under this multi-task CRADA was directed under the following general task areas and, throughout the duration of this CRADA the work statement was modified to match the needs of the Parties and the direction of the research. (1) Software modeling, simulation and development; (2) Manufacturing Technologies; (3) Supply Chain Optimization, (4) Advanced Materials.

36 MATERIALS SCIENCE↗

Considerations on the design of a rare isotope beam facility based on superconducting heavy ion linacs

To establish an accelerator facility based on superconducting linear accelerator (linac) for nuclear and applied sciences in Korea, the rare isotope science project started in December 2011 under the auspices of the Institute for Basic Science (IBS). The layout of the facility has been mostly frozen since 2013 and civil construction began in 2016. On the other hand, an alternative linac design option was recently investigated in collaboration with the linac development group of Argonne National Lab in search of a further optimized configuration. A new linac lattice was developed and evaluated against realistic machine errors using TRACK. The beam optics simulations and error analysis then proved the soundness of this alternative design. In addition, beam optics of the injector was studied for simultaneous acceleration of both stable and rare isotope beams with the use of an electron beam ion source (EBIS). Additionally considered are alternative options of high-power cyclotrons as ISOL driver in order to enhance the capability of rare isotope beam production and fully exploit the superconducting linac facility built at high cost.

07 ISOTOPE AND RADIATION SOURCES↗

Advanced Fuels Campaign 2019 Accomplishments

The mission of the Advanced Fuels Campaign (AFC) is to perform or support research, development, and demonstration (RD&D) activities to identify and mature innovative fuels and cladding materials and associated technologies with the potential to improve the performance and safety of current and future reactors; increase the efficient utilization of nuclear energy resources; contribute to enhancing proliferation resistance of the nuclear fuel cycle; and address challenges related to waste management and ultimate disposal. AFC pursues its mission objectives using a goal-oriented, science-based approach that seeks to establish a fundamental understanding of fuel and cladding behaviors under conditions that arise during fabrication, normal steady-state irradiation, off-normal transient scenarios, and storage/disposal. This approach includes advancing the theoretical understanding of fuel behavior, conducting fundamental and integral experiments, and supporting the mechanistic, multi-scale modeling of nuclear fuels to inform and guide fuel development projects, advance the technological readiness of promising fuel candidates, and ultimately support fuel qualification and licensing initiatives. In the area of advanced tools for the modeling and simulation of nuclear fuels, the AFC works in close partnership with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, participating with NEAMS in developing mechanistic fuel behavior models and providing experimental data to inform and validate its most advanced tools. Specifically, AFC objectives in thecoming five year horizon include: 1. support the industry-led development of Accident Tolerant Fuel (ATF) technologies with improved reliability and performance under normal operations and enhanced tolerance during hypothetical accident scenarios, with implementation of lead test rods/assemblies of one or more ATF concepts in commercial reactor(s) by or before 2022 and batch reloads of near-term concept(s) in the 2023-2026 timeframe; 2. lead research and development on innovative fuel and cladding technologies for applications to future advanced reactors, especially fast-spectrum reactors, including reactors that utilize both once-through and recycle scenarios; 3. continue the development and demonstration of a multi-scale,science-based approach to fuel development and testing, andcontribute to the establishment of a state-of-the-art R&D infrastructure necessary to accelerate the development of new fuel concepts; and collaborate with NEAMS on the development and validation of multi-scale, multi-physics, and increasingly predictive fuel performance models and codes. 4. collaborate with NEAMS on the development and validation of multi-scale, multi-physics, and increasingly predictive fuel performance models and codes.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Community-Driven Methods for Open and Reproducible Software Tools for Analyzing Datasets from Atom Probe Microscopy

Atom probe tomography, and related methods, probe the three-dimensional architecture of a material. The software tools that microscopists use, and how these tools are connected into workflows, makes a substantial contribution to the accuracy and precision of such a material characterization experiment. Typically, we adapt methods from other communities like mathematics, data science, computational geometry, artificial intelligence, or scientific computing. We also realize that improving on research data management is a challenge when it comes to align with the FAIR data stewardship principles. Faced with this global challenge, we are convinced that collaborating is useful. Here, we report the results and challenges with an inter-laboratory call for developing test cases for several types of atom probe software tools. The results support why defining detailed recipes of software workflows and sharing these recipes is necessary and rewarding: Open source tools and (meta)data exchange can help to make our day-to-day data processing tasks become more efficient, the training of new users and knowledge transfer become easier, and assist us with automated quantification of uncertainties to gain access to substantiated results.

36 MATERIALS SCIENCE↗