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All sources NASA NTRS DOE OSTI

DOE OSTI2020

Challenges for and Pathways Toward Solid-State Batteries

Solid-state batteries utilizing lithium metal anodes have the potential to enable batteries with a specific energy of >500 Wh/kg and an energy density of >1,500 Wh/L for thousands of cycles. When optimized they will improve the energy efficiency, operating temperature range, sustainability, and safety at a lower cost compared to projections for advanced Li-ion batteries. This improved performance is critical for the widespread adoption of electric vehicles and may enable future applications such as electric aviation. Expectations for solid-state batteries are high, there are significant materials and processing challenges that need to be overcome. Some of these challenges are well known; others are more subtle and are just becoming known. The challenges and their solutions must be clearly identified to realize high-energy solid-state Li metal batteries. In the United States, the U.S. Department of Energy (DOE) funds the majority of energy storage research and development, including solid state battery research. Web of Science publication analysis shows that worldwide DOE is second largest funder. Work on solid state batteries is distributed across different arms of DOE and is coordinated at headquarters to ensure a broad national portfolio for advanced batteries, including lithium batteries and solid-state battery devices. We note that university and national laboratory researchers in the US with a long-standing interest in solid state batteries is a small, integrated community with recognized impact for publications, patents and startup companies. The opportunity for this group to engage for research with international colleagues is growing, fostered by periodic bilateral meetings supported by DOE and by the recent joint US German research program for lithium battery interface studies. These are valuable opportunities to speed solid-state battery development. The ORNL led virtual workshop, overviewed here, confirms the community’s shared vision of the exciting advances, opportunities, and challenges. Further, we are seeing that this workshop has spawned several new informal collaborations and draft proposals. This encourages us to propose future discussion. On May 11, 2020, Oak Ridge National Laboratory (ORNL) hosted a 6-hour, on-line national workshop to discuss recent advances and most the prominent obstacles to realizing solid-state Li metal batteries. The workshop included more than 30+ experts from national laboratories, universities, and companies, all of whom have worked on solid-state batteries for multiple years. The participants shared recent advances, many not yet in print, illustrating that the community has gained significant new insights for solid-state Li battery materials over the last 5 years. In this report, the major outcomes of the workshop are organized to identify the gaps in our scientific knowledge for four core materials science areas: (1) Li metal anodes, (2) the solid electrolyte in contact with Li metal, (3) active cathode materials and solid-state composite cathodes, and (4) solid electrolytes. Illustrative examples and discussions are reported with the more comprehensive issues in the report. Discussion of additional challenges related to processing of solid-state battery materials and to the designs and architectures for mechanically robust, long-lived batteries received less attention due to time constraints. These are good themes for deeper discussion at a follow-on workshop, where a complete list of critical research topics can be identified.

25 ENERGY STORAGE↗

DOE OSTI2016

Towards an IMEX Monolithic ALE Method with Integrated UQ for Multiphysics Shock-hydro

A number of critical science, engineering and advanced technology applications require predictive analysis of complex shock-hydrodynamics of fluid/solid materials with possible electromagnetic interaction. The physical mechanisms include wave-phenomena, material-transport, diffusion, chemical reactions, and electromagnetics. The highly nonlinear multiple-time and length-scale response of these mechanisms include discontinuities formed from shocks, contact surfaces, and complex tabular equations-of-state (EOS). Current dominant computational solution strategies use ad-hoc combinations of operator- splitting, semi-implicit, and explicit time-integration methods and decoupled nonlinear-solvers. While these approaches have enabled progress in forward simulation, the inherited mathematical structure has not provided stability, accuracy and efficiency to resolve all the dynamical time-scales of interest, nor has it enabled integrated fast sensitivity analysis and uncertainty quantification (UQ). This draft report describes initial progress towards developing a new multiphysics shock-hydro capability that is intended to be more robust, mathematically well-structured and can readily be combined with advanced higher-order implicit/explicit (IMEX) time integration and efficient adjoint-enhanced uncertainty quantification (UQ) techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Utility of Big Area Additive Manufacturing for Part Production for Low-Head Hydropower (CRADA NFE-18-07280 Final Report)

ORNL worked with Cadens, LLC, to explore the use of additive manufacturing (AM) to produce low-cost parts for low-head hydropower systems. Cadens develops design optimization software that leverages the flexible, low-cost, high-strength benefits of AM and composite materials. Cadens also operates a micro-hydro lab to test AM components in controlled environments. Until now, Cadens’ tests have been limited to components of a size that they can cost-effectively manufacture using local commercial systems. This project provided an opportunity for Cadens to scale up their modular AM hydropower parts using the capabilities of Big Area Additive Manufacturing (BAAM). This project was a success and resulted in the design and fabrication of several end-use parts of a hydropower system, using a Big Area Additive Manufacturing (BAAM) system. The fabricated parts include a draft tube, thimble, runner housing mold, PVC end fitting and two PVC pipe supports. In addition, a runner system was fabricated using fused deposition modeling on a 3D Platform Workbench 400 Series System.

13 HYDRO ENERGY↗

DOE OSTI2018

Laser Spot Welding using an ALE Finite Element Method

This memo consists of a manuscript draft that was never published, but was prepared in 2002 at Sandia. It is used as a user-guide for running simulations of laser welding with Sandia's Goma 6.0 software.

42 ENGINEERING↗

DOE OSTI2020

Radiation Hardened Electronics for Reactor Environments

Radiation-hardened (rad-hard) electronics have been the shortcoming in nuclear sensing and instrumentation. Placing advanced sensors and associated electronics closer to a nuclear reactor core will improve reactor control and operation through increased signal accuracy, precision, and fidelity, resulting in safer, more efficient energy production. However, the extreme temperature and bombarding radiation environment of nuclear applications make research and development into electronics and electronic materials technologies essential to enabling improved safety, monitoring, and control of the existing nuclear reactor fleet and the next generation of reactors, including microreactors. To help the US Department of Energy (DOE) define a course for the Office of Nuclear Energy (NE)-funded rad-hard electronics research, Oak Ridge National Laboratory staff present this summary of the state-of-the-art (SOA) technology for the design and implementation of rad-hard electronics and systems, including research efforts and commercial offerings. A collection of technological gaps associated with reactor applications are compiled herein. Based on the radiation degradation mechanisms discussed in this report, along with the state-of-the-art summary survey and a compiled list of gaps, a high-level research plan of future NE funding direction was developed and is provided. This report outlines these activities and provides a summary of SOA electronics technology for rad-hard instrumentation in reactors, a list of the major technology gaps observed, and a draft plan for addressing the present and future needs of reactor instrumentation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Radioisotope Thermoelectric Generator Accident Pre-Assessed Scenario

This scenario was drafted for inclusion in a revision of Federal Radiological Monitoring and Assessment Center (FRMAC) Assessment Manual, Volume 2 - Pre-Assessed Default Scenarios. The contents of this scenario were reviewed and approved by the FRMAC Assessment Working Group in March 2020. The scenario is being issued separately from the full volume ahead of the Mars 2020 launch. The full volume will be published in the future once all scenarios are complete.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2021

OWL Change Control Process

The Online Waste Library (OWL) provides a consolidated source of information on Department of Energy-managed radioactive waste likely to require deep geologic disposal. With the release of OWL Version 1.0 in fiscal year 2019 (FY2019), much of the FY2020 work involved developing the OWL change control process and the OWL release process. These two processes (in draft form) were put into use for OWL Version 2.0, which was released in early FY2021. With the knowledge gained, the OWL team refined and documented the two processes in two separate reports. This report focuses on the change control process and discusses the following: (1) definitions and system components; (2) roles and responsibilities; (3) origin of changes; (4) the change control process including the Change List, Task List, activity categories, implementation examples, and checking and review; and (5) the role of the re lease process in ensuring changes in the Change List are incorporated into a public release.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

OWL Release Process

The Online Waste Library (OWL) provides one consolidated source of information on Department of Energy-managed wastes likely to require deep geologic disposal. With the release of OWL Version 1.0 in fiscal year (FY) 2019, much of the FY2020 work involved developing the OWL change control process and the OWL release process. These two processes (in draft form) were put into use for OWL Version 2.0, which was released in early FY2021. With the knowledge gained, the OWL team refined and documented the two processes in two separate reports. This report addresses the release process starting with a definition of release management in Section 2. Section 3 describes the Information Technology Infrastructure Library (ITIL) framework, part of which includes the three different environments used for release management. Section 4 presents the OWL components existing in the different environments and provides details on the release schedule and procedures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

OWL and Waste Form Characteristics (Annual Status Update)

This report represents completion of milestone deliverable M2SF-21SN010309012 “Annual Status Update for OWL and Waste Form Characteristics” that provides an annual update on status of fiscal year (FY 2020) activities for the work package SF-20SN01030901 and is due on January 29, 2021. The Online Waste Library (OWL) has been designed to contain information regarding United States (U.S.) Department of Energy (DOE)-managed (as) high-level waste (DHLW), spent nuclear fuel (SNF), and other wastes that are likely candidates for deep geologic disposal, with links to the current supporting documents for the data (when possible; note that no classified or official-use-only (OUO) data are planned to be included in OWL). There may be up to several hundred different DOE-managed wastes that are likely to require deep geologic disposal. This draft report contains versions of the OWL model architecture for vessel information (Appendix A) and an excerpt from the OWL User’s Guide (Appendix B and SNL 2020), which are for the current OWL Version 2.0 on the Sandia External Collaboration Network (ECN).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

New Capability at ORNL: High Precision Uranium Titration

Destructive analytical measurements establish a nuclear facility’s nuclear material inventory and inventory differences for Nuclear Material Accountancy and Control. A nuclear laboratory’s ability to perform accurate high-precision analytical measurements is key for tracking large inventories within a facility’s material balance areas and during production to track material movement through dynamic processes. For uranium, these measurements are made by using several established high-precision measurement protocols. These include isotope dilution mass spectrometry, gravimetry, and potentiometric titrations. Whatever measurement technique a nuclear lab chooses to use, reference materials (RMs) with certified attributes and accompanying uncertainties are used to calibrate measurement systems, and are the cornerstone for accurate results. In addition to calibration, RMs provide for metrological traceability, are used for method development and validation, and thus provide critical evaluations of the appropriateness and performance of analytical processes used. Evaluations may include validation that a method is fit-for-purpose, quantification of systematic and random biases, and the evaluation of long-term and short-term performance metrics. High-precision measurement techniques require that measured attributes be certified to a high degree of precision in the RMs used—ultimately, to a higher degree than that of the measurement technique itself. The US authority on the production of special nuclear material Certified Reference Materials is the NBL Program Office (NBLPO), formally known as New Brunswick Laboratory (NBL). The NBLPO is responsible for the sales and distribution of existing NBL certified reference materials (CRMs) and for the production of the next generation of nuclear RMs. To accomplish its mission, NBLPO is establishing key base capabilities within the DOE laboratory complex that formerly existed at the NBL laboratory. The Nuclear Analytical Chemistry (NAC) section within the Chemical Sciences Division (CSD) at Oak Ridge National Laboratory (ORNL) is currently working with NBLPO to set up laboratory and measurement capabilities to provide measurements and capabilities for production and/or recertification of existing and future CRMs for uranium assay. The NBL-developed high-precision titration (HPT) method is a critically-evaluated, extremely precise and accurate primary method utilized for the determination of uranium content in a variety of uranium materials. The HPT method, combined with detailed balance weighing protocols, provides for an analytical methodology that is unsurpassed in precision and one in which all sources of error have been evaluated, a requirement of CRM certification. HPT capability within the United States was lost with the closure of the labs at NBL. The NAC has been collaborating with NBLPO to stand up and demonstrate the capability to perform uranium assay via HPT at ORNL. HPT can produce results with an expanded uncertainty of approximately 0.01% for pure uranium compounds, with typical precisions of <0.006%. The major tasks required to stand up the method at ORNL were the refurbishment of a dedicated lab and equipment setup, procedure development, analyst training, establishing method-specific quality assurance, and qualification of an analyst to perform the method. This report summarizes these tasks, outlines the documents drafted, and gives the outcome of the qualification titrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2021

Wood-to-Fuel for California's Transportation Sector using Autothermal Pyrolysis (Progress Report for FRD-17-002)

Accomplishments this period: Subcontract with Frontline BioEnergy, LLC has been executed and is in place (Task 1). List of TAC members is awaiting input from the CEC including any additional members of their own choosing before we finalize confirmation with the listed individuals. This is also holding off on the documented TAC Member commitment, and the DRAFT TAC Meeting Schedule, as we need to know who is approved to be on the TAC before we get commitments and start setting meetings. We are awaiting input from the CEC as to a requested date for the CPR#1. It was originally set for the beginning of July (July 7th), but as the CEC needs to conduct this, we need their input on the revised date. The additional wood feed stock was sent to ISU for analysis of autothermal pyrolysis products on July 15. The Kern refinery continues to express interest in using the bio-oil produced from the demonstration in one or more of their plants. We believe this analysis information will be a critical component of what we share at our first Workshop later this summer

09 BIOMASS FUELS↗

DOE OSTI2021

The Quantum Nature of the Neutrino

Over the last 100 years we have learned much about the neutrino, but there remain interesting questions about this weakly interacting particle. In particular, at LLNL we are developing an experiment to measure the quantum nature of the neutrino. The 2015 long range plan recom mended tonne-scale neutrinoless double beta decay experiments as the top new project priority and this experiment will target the quantum nature of the neutrino. The LLNL team is motivated and focused on developing the best technology for this experiment which is a liquid xenon time projection chamber called nEXO. Work on nEXO at LLNL started in 2015 with an LDRD and program development funds to de velop the nEXO concept, publish sensitivity predictions, explore alternatives and risks, and to build a credible project team and this effort is on going. In addition, we received research funding from DOE-SC NP and LLNL manages pre-conceptual R&D for the nEXO collaboration a portion of which is executed at LLNL. LLNL has a long history of building large projects, science projects and time projection chambers, but nEXO is in fact the first project of this scale that LLNL is prepared to lead for DOE-SC NP. We have the tools, skills, people and motivation to make nEXO a reality. The current program devel opment dollars are used to prepare the nEXO concept for down select and CD1. These internal LLNL dollars pay for a number of things including project staff to organize the nEXO collaboration for the various reviews, to develop the draft plans and structure to manage the project as well as setting up external advisory committees. The DOE-SC NP base funding is targeted at simulation and analysis of the nEXO concept in preparation for the down select and refinement of the under standing of the detector as well as scientific effort on the large xenon test stand (LXTS) that will burn down one of the largest risks to the nEXO project. Lastly, LLNL is leading the pre-conceptual R&D effort and managing the funds for the nEXO collaboration. LLNL continues to build the best scientific team for nEXO and this year that includes adding Ethan Bernard to lead the efforts on the LXTS. We will also soon add a new postoc, Samuel Hedges, in the fall to the LLNL nEXO team. The effort this year was influenced by the portfolio review, and there were a number of scientific activities led by LLNL to prepare for this review. In addition, we again took a lead role on the new sensitivity paper as well as publishing a paper based analyzing the effects of skin xenon in nEXO. LLNL leads the software and analysis for the project and we continued work in this area as well. High voltage remains a significant risk for the project and we continue to make progress on the LXTS that will mitigate this risk. Lastly we remain active in looking at how to scale the technology to larger scales, and expect to produce a paper on this topic in the near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Reference constitutive model for Alloy 617 and 316H stainless steel for use with the ASME Division 5 design by inelastic analysis rules

This report describes the development, calibration, and validation of an inelastic constitutive model describing the monotonic, cyclic, and creep behavior of Alloy 617 from room temperature to 983 °C . The model is intended for incorporation into a new Nonmandatory Appendix to Section III, Division 5, Subsection HB, Subpart B of the ASME Boiler & Pressure Vessel Code providing guidance on developing models for use with the ASME design by inelastic analysis provisions as well as a listing of acceptable material models for each Class A material that designers can use without further validation. The report described the development of the A617 model as well as providing an updated draft appendix, ready for ASME ballot, incorporating the A617 and and the previously-developed 316H model. The development of this appendix and the related material models will promote the widespread application of the generally more efficient inelastic analysis rules rules.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Development of Renewable Energy Data for Facilitating the Clean Energy Transition in Vietnam

Vietnam is transforming its power system with an increasing share of variable renewable energy (VRE) in the generation mix and plans to achieve 27% VRE by capacity in 2030 and 42% by capacity in 2045, as indicated by the draft Eighth Power Development Plan for 2020–-2045 (PDP8). Further increase in VRE penetration is possible with data-driven analysis where availability of data, specifically VRE data, becomes critical. NREL has worked with various stakeholders in Vietnam to create high-resolution multi-year VRE data publicly available to all. This paper reviews this new VRE data for Vietnam and how different stakeholders can use this data to inform VRE deployment decisions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Software Quality Assurance for EBR-II Fuels Irradiation and Physics Database (FIPD)

The Fuels Irradiation and Physics Database (FIPD) is an ongoing DOE project on archival of the EBR-II metal-alloy fuel irradiation experiments. As part of its use in support of license applications, the Quality Assurance Program Plan (QAPP) was drafted and endorsed by NRC in an effort to demonstrate its compliance with regulatory expectations. Software Quality Assurance (SQA) for the physics portion of FIPD is intended to qualify the calculated quantities such as fuel and cladding temperatures, neutron fluence and axially varying burnup estimates for irradiated fuel elements. This report covers the initial evaluation of SQA status of three neutron physics and thermo-fluid codes (REBUS, RCT and SE2RCT) that form the basis of calculated quantities for as-irradiated characteristics of the tested metallic fuel elements. The report also introduces an SQA plan to address the identified deficiencies. The REBUS, RCT, and SE2RCT codes are all part of the Argonne Reactor Code (ARC) code system. There is considerable knowledge and experience on REBUS and RCT but relatively less on SE2RCT. During FY2021, efforts focused on an assessment of how the data in the EBR-II Physics and Analysis DataBase (PADB) is generated with SE2RCT and used in FIPD. Additional tasks included considerations of uncertainties for power estimates in REBUS and RCT calculations and their impact on the combined RCT methodology. The RCT software usage in FIPD was assessed this year and the input/output details studied. A “requirements” document was created that identifies the key features of the RCT software being used in FIPD that need to have SQA documentation. A brief discussion on the history of RCT and its input is included in this report along with the basic SQA roadmap laid out in the requirements document. The SE2RCT software usage in FIPD is still being studied noting that there is no current manual. As part of the work done this year, two bugs were identified in the SE2RCT software which have a minor impact on the accuracy of the results it produces. No requirements document has been created, but one identified feature of SE2RCT being used that needs verification was its fuel pin temperature calculation. The work completed this year confirms that the approximations which will be included in the software verification report for SE2RCT are accurate. In addition to software quality assurance work for RCT and SE2RCT, an automated verification framework is proposed to simplify the software quality assurance process. The purpose of this framework is to streamline code verification and documentation while minimizing repetitive tasks for code developers and reviewers. The reduction of repeated input (between reference solution, software, and documentation input) throughout the SQA process reduces potential for human errors during the preparation of the supporting software quality records. The automation of the verification and documentation process proposed for this project leverages the existing verification structure already in place for the SAS4A/SASSYS-1 code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Sustainability of the U.S. Manufacturing Sector: Use of the United Nations Sustainable Development Goals

The United Nations' 17 Sustainable Development Goals (SDGs) aim to improve health and education, reduce inequality, and encourage economic growth, while also preserving or improving the conditions of our oceans and forests. Pursuing these SDGs would mean $12 trillion in economic opportunities for companies, while also improving the lives of all people and bettering the planet. Some manufacturing companies are already focusing on sustainability, but not all. In 2019, almost 30% of National Association of Manufacturers members did not have a sustainable policy, goals, or program in place. Business drivers for sustainability and the SDGs are similar, with focuses on economic growth and consumer demands. Despite the shortcomings of the SDGs, they represent an opportunity for manufacturing companies to further improve energy, material efficiency, and productivity. This report evaluates the SDGs and the manufacturing sector. The manufacturing sector was analyzed using the technology assessments (TAs) introduced in the 2015 Quadrennial Technology Review (QTR) review, which focused on concepts, challenges, and solutions to meet the United States' energy needs. Annual or sustainability reporting of companies performing work in one of those TAs were analyzed for mentions of the SDGs. The call-out boxes throughout this report provide examples of companies making progress toward the SDGs. The possible overlap between the SDGs and the Advanced Manufacturing Office (AMO) was also evaluated. The TAs in the 2015 QTR Review were furthered with detailed targets in the draft Multi-Year Program Plan (MYPP) for Fiscal Years 2017-2021. Direct and likely relationships between the SDGs and the TAs were established. Positives, challenges, SDG-related literature, and future steps are also discussed in this report.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Decontamination and Sterilization of Surfaces using Low Cost Ionic Liquids (CRADA Final Report)

The current study made a comprehensive literature review of the structure activity relationship (SAR) for microcidal and virucidal influence of ionic liquids. It summarized the key structure parameters that have close correlation to the antimicrobial and antiviral properties of the ILs. It proposed an experimental plan on developing and testing an effective ionic liquid from renewable lignocellulosic biomass. The goal is to understand the structure activity relationship (SAR) for virucidal influence of ionic liquids through comprehensive literature search and data analysis. A full experimental plan will be drafted based on the literature summary. Perform a comprehensive literature search to aid the development of an effective and easily deployable method to inactivate SARS-CoV-2 and decontaminate surfaces based on low-cost functional ionic liquids. These designer solvents have the potential to be a compelling and environmentally friendly alternative to common chemical disinfectants. Literature summary report including reported ionic liquid structures, synthesis and testing methods, and the structure activity relationship. Experimental plan on developing a low cost effective antiviral ionic liquid.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

A Survey of Federal and State-Level Solar System Decommissioning Policies in the United States

In the United States, cumulative installed utility-scale solar photovoltaic (PV) capacity reached more than 60 gigawatts (GW)dc at the end of 2020 (Davis et al. 2021b). Federal and state renewable energy and net-zero emissions policies will continue to drive solar development in the United States with installed utility-scale PV projected to quadruple (240 GWdc) by 2030 (Davis et al. 2021a; Heeter 2014). Although more than 75% of all U.S. installed utility-scale PV came online in the last 5 years, federal, state, and local governments are planning for system decommissioning (Davis et al. 2021b). Our research found that as of April 2021, one federal agency, the Bureau of Land Management (BLM), and 15 U.S. states have solar decommissioning policies in place. North Carolina is also in the process of drafting solar decommissioning regulations, and at least 4 states (Maine, Pennsylvania, West Virginia, Texas) proposed solar decommissioning bills in the 2021 legislative session. This report provides a survey and brief overview of both federal and U.S. statewide solar decommissioning policies, and a discussion of some of the potential impacts different policy designs may have on utility-scale solar development, including impacts that might influence construction timelines and over project costs.

14 SOLAR ENERGY↗