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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Investigating User Experiences with Data Abstractions on High Performance Computing Systems

Scientific exploration generates expanding volumes of data that commonly require High Performance Computing (HPC) systems to facilitate research. HPC systems are complex ecosystems of hardware and software that frequently are not user friendly. The Usable Data Abstractions (UDA) project set out to build usable software for scientific workflows in HPC environments by undertaking multiple rounds of qualitative user research. Qualitative research investigates how individuals accomplish their work and our interview-based study surfaced a variety of insights about the experiences of working in and with HPC ecosystems. This report examines multiple facets to the experiences of scientists and developers using and supporting HPC systems. We discuss how stakeholders grasp the design and configuration of these systems, the impacts of abstraction layers on their ability to successfully do work, and the varied perceptions of time that shape this work. Examining the adoption of the Cori HPC at NERSC we explore the anticipations and lived experiences of users interacting with this system’s novel storage feature, the Burst Buffer. We present lessons learned from across these insights to illustrate just some of the challenges HPC facilities and their stakeholders need to account for when procuring and supporting these essential scientific resources to ensure their usability and utility to a variety of scientific practices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Application of Point Precipitation Frequency Estimates to Watersheds

This report documents work sponsored by the U.S. Nuclear Regulatory Commission (NRC) at the Oak Ridge National Laboratory (ORNL) as part of the RES project, “Application of Point Precipitation Frequency Estimates to Watersheds.” This project was implemented as part of the Probabilistic Flood Hazard Assessment (PFHA) Research Program. The objective of the PFHA Research Program is to develop tools and guidance on the use of PFHA methods to risk-inform NRC’s licensing of new facilities as well as licensing and oversight of currently operating facilities as they relate to flooding hazards. Many nuclear power plants (NPPs) are located on or near rivers so riverine flooding hazards need to be considered in their design and operation. Probabilistic riverine flood models are important tools for realistic assessment of flooding risks. However, these models require areal estimates of the depth, duration, and frequency of rainfall distributed over the watershed, which are not often available. Point precipitation frequency estimates are more widely available. For example, the National Oceanic and Atmospheric Administration (NOAA) has published NOAA Atlas 14, which provides point precipitation frequency estimates for 5-minute through 60-day durations at average recurrence intervals of 1-year through 1,000-year. The research documented in this report addresses areal reduction factors (ARFs), which can be used to convert the widely available point precipitation frequency estimates, to estimates of areal precipitation frequency over a watershed. The most widely used ARF source is Technical Paper 29 (TP-29) published by the then U.S. Weather Bureau in 1958. However, both the methods and the underlying precipitation data used to produce TP-29 are seriously out of date. For example, due to the small gauge network available at the time of TP-29’s compilation, ARF estimates developed are only for watersheds smaller than about 400 square miles. Due to the relatively short record lengths of precipitation data available, frequency considerations could not be accurately determined. Other factors such as regional climate and seasonality were not addressed. Several newer methods have been published since TP-29 was developed and both the type and quantity of precipitation data have increased significantly, along with computational resources and analytical tools such as geographic information systems. This report reviewed and assessed the available precipitation products and methods for conducting ARF analysis. The work applied up-to-date precipitation data products and analysis methods with a novel watershed-based approach to investigate how ARF estimates vary across different methods, data sources, geographical locations, return periods, and seasons. The overall findings reported here regarding basic ARF trends are in line with other recent studies showing that ARFs decrease with increasing area, increase with increasing duration, and decrease with increasing return period. This study found significant differences among the available ARF methods. This work also found a strong geographical variability across different US hydrologic regions, suggesting that the ARF are specific to regional climate patterns and geographical characteristics and should not be applied arbitrarily to other locations. The results also reveal the importance of data record length, especially for high return level ARFs. The work reported in NUREG/CR-7271 will assist NRC staff in assessing different classes of ARF methods in conjunction with available rainfall data sets. It will also support the development of guidance for application of point precipitation data in PFHAs. It should be noted that the ARF values presented in this report for any location or region were developed for the purposes of comparing methods and investigating the factors that influence ARFs. They should not be considered official and should not be used in leu of a site-specific analysis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Time Domain Thermoreflectance (TDTR) Studies of Microstructural Characterization of as-Fabricated and/or Irradiated TPBAR Components

Paddock et al. demonstrated for the first-time the measurement of thermal diffusivity from thin metal films using picosecond transient thermoreflectance in 1986. This project attempted to use a similar experimental setup based on a femtosecond time domain thermoreflectance (TDTR) to measure the damage to the crystal lattice of LiAlO 2 from irradiation in the reactor and production of tritium and helium. The TDTR is based on a pump-probe laser configuration where the pump laser is used to heat the sample and the probe laser is used to follow the thermal evolution created by the pump laser. The goal for this project is to measure the differences in thermal diffusivity between LiAlO 2 and the irradiated Li AIO 2 sample in a reactor. Unfortunately, COVID-19 restricted laboratory research time and the availability of researchers capable to conduct TDTR work. In addition, the ultrafast laser (Astrella 35fs laser) required to conduct the work was inoperable making this particulate work impossible to conduct in FY20 and FY21. The purpose of the thermal diffusion measurements with a TDTR setup is to probe the damage and disorder to the crystal lattice of pristine and irradiated samples. Since TDTR was not available for this work, a different approach using Raman and luminescence spectroscopy was used to characterize the crystal lattice damage in LiAlO 2 from irradiation.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Transportation Hub Infrastructure Expansion: Decision Support Under Uncertainty

The Athena project (www.athena-mobility.org) has worked to investigate the relationship between the Dallas-Fort Worth Airport (DFW) and the greater Dallas area in order to better understand and therefore better inform future decision-making regarding the critical infrastructure that influence mobility between the airport and the city. Through this work, infrastructure related to curbside pickup and drop-off, parking, public transit, and the road network congestion were identified as critical to the operation of the DFW transportation hub. The infrastructure analysis and expansion aspect of the Athena project is focused on the restructuring of the CTA curb as a hierarchical curb and the building or repurposing of parking infrastructure as the interplay between these two areas. Many sources of uncertainty exist that may impact future airport and transportation hub operations, such as passenger volume growth, population demographic changes over time, electric vehicle (EV) adoption rates, and autonomous vehicle (AV) adoption rates. Due to these sources of uncertainty, we have selected for our research a modeling framework that can capture various types of uncertainty and hedge against those uncertainties in the optimization process. We analyze road network and curb congestion, the rise of transportation networking companies, trends in parking usage, existing policies around this infrastructure, airport revenue streams, and other contributing factors to enable infrastructure decision making with less uncertainty. To accomplish this wholistic analysis, we have developed a novel multi-stage, multi-period stochastic optimization model which considers the airport's decisions from 2025-2045 under different possible future macro trajectories and day-to-day variations in operational conditions captured as "annual representation of operations" scenarios with respective probabilities. This model has also been designed to leverage the outputs of various efforts under the Athena project to create a combined decision framework for infrastructure decisions. These various efforts include the route optimization model, the ASPIRES simulation, the mode choice model, and the SUMO traffic simulation. Our computational experiments of this system at scale have resulted in a working version of our infrastructure model which enables the explicit representation and consideration of various sources of uncertainty in the decision process to enable robust, flexible decision-making. This model has been effectively run on NREL's HPC system, Eagle, with large numbers of stochastic scenarios and shows promise as a scalable tool for robust consideration of uncertainties in airport planning. We have tested our model using 30,240 operational circumstances in total, resulting in a problem with more 200 million variables. This model was solved in several different configurations, and a workflow to simulate the performance of the infrastructure model results was developed and deployed. In general, our results indicate that a combination of remote parking, remote curb infrastructure, and dynamic pricing can generate revenue, reduce emissions, accommodate emerging technologies such as AVs and EVs, and manage airport passenger growth over time. We note the success of the proposed strategy depends on the data collection and forecasting abilities of DFW. We have also seen that the AV adoption by TNCs might necessitate larger amounts of remote curb. The results of this work inform strategies for airport infrastructure decision making, as well as demonstrate the value of an adaptable model, but also indicate that there are avenues remaining where further research would be of value.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Makah Tribe Climate Assessment, Adaptation, and Resilience Planning

Our aim was to develop a Climate Adaptation and Resilience Plan through gathering community input through personal interviews and individual surveys, building from our Climate Impacts Assessment work completed in 2018. This project has collected traditional, cultural, and local knowledge to support the ongoing multi-departmental environmental planning processes of the Makah Tribe. This information was then used to identify specific human wellbeing indicators to inform and enhance Makah tribal policy, management, and decision-making processes. Combined our tribal environmental planning to include the work of the Tribal Resilience Work Group (TRWG) and Oil Spill Work Group (OSWG), which relied on publicly available Western science-based data. While this information provided a strong basis for tribal environmental planning, it does not capture the unique traditional, cultural needs, and local knowledge and tribal voices of the Makah community.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

UKy-CAER Heat Integrated Transformative CO 2 Capture Process in Pulverized Coal Power Plants

The goal of this Phase II Topical Report is to summarize the work for public domain conducted on project DE-FE0031583. Building upon the Design Basis completed during Phase I and in accordance with the Statement of Project Objectives (SOPO), the University of Kentucky (UK) Center for Applied Energy Research (CAER) (Recipient) along with team members has completed the Front End Engineering Design (FEED) for its advanced, versatile post-combustion CO 2 capture system (CCS) at the 10 MWe large pilot scale to be installed at the Wyoming (WY) Integrated Test Center (ITC), using a heat integrated process with split-rich fed, two-stage stripping and any advanced solvent to enhance the CO 2 absorber performance and lower the cost of CO 2 capture. The proposed project (Phases I-III) involves the design, fabrication, installation, testing and evaluation of a large pilot scale facility that will demonstrate the UK CAER transformative CCS integrated with an operating power plant. The work performed in Phase I, detailed in the Phase I Topical Report that was submitted in March 2019, included formation of a project team, securing the host site, and completing pre-FEED design basis, a cost estimation, a preliminary techno-economic analysis (TEA) and an environmental information volume (EIV). The work performed in Phase II, detailed in this Phase II Topical Report, includes completion of FEEDs, completion of a process risk analysis (PRA), obtaining necessary permits, updating the EIV and TEA, updating the cost and schedule estimate for the Phase III scope of work (SOW) and securing the necessary cost share. Updated information is provided on the current status of the UK CAER CCS technology and the project is ready to begin immediately detailed design, construction and operation of the proposed pilot.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Optimized Carbon Fiber Intermediate Development to Enable High-Volume Manufacturing of Lightweight Automotive Composites

The ongoing pursuit of improved fuel economy and reduced greenhouse gas emissions has resulted in sustained interest for lightweight materials technologies. In this context, carbon fiber composites have captured the imagination of automotive engineers due to the potential to achieve substantial mass reduction when compared to traditional steel construction. That stated, the use of carbon fiber composites in automotive has been limited for the most part to premium supercars and other derivative platforms. In these cases, manufacturing costs are less of an obstacle to implementation, and the performance benefits of carbon fiber have enabled production of structures offering more than 50% weight savings. In practice, translating these low-volume demonstrations onto high-volume vehicle platforms has remained challenging. This can be attributed to several factors, with the absence of suitable high throughput production methodologies being a key impediment. To date, structural, crash critical components have relied upon manufacturing techniques born out of the aerospace industry. This has created a disconnect between automotive production systems that are accustomed to manufacturing multiple parts per minute and the aerospace technologies that have cycle times in the order of hours. Consequently, the focus of this project is the development of manufacturing process technology for carbon fiber composites that can support a mainstream vehicle program at an assumed throughput of 100,000 vehicles per year. In practice, this translates to a part-to-part cycle time of less than 3 minutes. Project participation included contributions from a broad range of academic, industrial and national lab partners. The primary scope of work, being the development of new carbon fiber epoxy compounds that are stable at room temperature and suited to high throughput automated processing. For project management, the work streams were divided into six key areas, with the lead organization in parentheses. • Carbon fiber/epoxy materials formulation development and scale up (Dow) • Simulation of discontinuous near isotropic meso-structure intermediates (Purdue) • Simulation of mechanical performance of compression molded components (Purdue) • Meso-Scale morphological analysis and correlation with structural performance (UTK) • Paint and adhesion durability analysis (MSU) • Demonstrator part design, prototype production, and validation testing (Ford). The primary goal at the commencement of the project was development of a chopped carbon fiber sheet molding compound (SMC) that offered a three times improvement in tensile modulus over a comparable glass-based SMC. In addition to meeting mechanical performance targets, the resin kinetics were modified to achieve a processing cycle time of less than 3 minutes. Other critical-to-quality (CTQ) specifications were also stipulated to account for a broad range of materials and processing characteristics. To achieve the above, staff scientists at Dow Chemical created an extensive series of new epoxy blends for testing and validation. Throughout this development, a key challenge was attaining material performance goals without impacting processing behavior and paintability of finished components. The latter required a new internal mold release system being developed by Dow that was designed to complement the kinetics of the rapid cure epoxy. As a complement to work studies at the industrial partners, the teams from academia executed a series of analytical and experimental studies to investigate potential factors influencing CF-SMC performance. Unit cell models were developed to capture the meso-scale representations of the fiber matrix architecture. Results of this analysis and subsequent morphological investigations led to the design of a novel composite derivative comprising carbon fiber platelets embedded in an epoxy matrix; the platelet size and aspect ratio playing significant role in final composite properties. This approach was a departure from previous research in CF-SMC development whereby bulk filamentization or disassembly of the carbon fiber rovings had been considered the most effective means of achieving both fiber wet through and wet-out. As the course of the academia studies progressed, the aspect ratio of the fiber constituents was further optimized before finalizing material attributes and processing conditions. For the purposes of technology validation, the Ford team led a work stream devoted to the design, fabrication and testing of demonstration components. The carbon fiber SMC material has the potential to displace numerous stampings and castings on an automotive structure but ultimately vehicle closure applications were selected to showcase the abilities of the CF-SMC to achieve both mass reduction and business case for large complex structures. Using target properties established by the Dow staff scientists, the complete closure system for a full-size sedan decklid and a mid-size wagon liftgate were engineered. Prototypes for both applications were fabricated using production representative processing methods to allow for physical testing and performance validation of the CF-SMC structures. Following completion of a testing program that concluded with a FMVSS301 55 mph offset rear crash, the CF-SMC formulation was declared by the Ford team to have met all engineering requirements. To summarize, the joint development activities during this project led to significant technical breakthroughs and achievement of all milestones. The result was the development of a novel, tack-free carbon fiber molding compound that is suited to automated processing. This combined room temperature stability, fast cure kinetics, and internal mold release system facilitates cycle times that are conducive to high-volume production. The VORAFUSE M6400 successfully passed technology validation at Ford and is now eligible for consideration on future production commercial vehicle programs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Does a Free Electron Laser Exhibit Non-Standard Statistics? [Slides and Report]

The originally proposed work under this award sought to develop a theoretical basis for previous experimental observations in free-electron laser (FEL) physics involving certain non-classical effects in the light produced by these devices. A sound and valid theoretical interpretation of these experiments would represent a transformational understanding of free-electron lasers, and of electron-photon interactions in general. The specific objective of the completed work, as described in the attached progress report by Jeongwan Park, was to perform a detailed analysis of an experiment by Chen and Madey (Physical Review Letters; volume 86 number 26, 2001) concerning the purported sub-Poissonian photon statistics in an FEL. Since that published work contradicted FEL theory as presently understood, the purpose of the work under the present subcontract was to obtain a better understanding of the quantum nature of the FEL, to investigate the possibility of theoretical and experimental evidence for the non-standard photon statistics of the FEL, and to critically examine the experimental evidence through a re-evaluation of the data analysis of Chen and Madey. The results of this study showed that there were numerous experimental conditions under which the observed photon statistics could be explained by combining both the photon clustering property and the dead-time effect, and consequently, that the observed photon statistics in the Chen-Madey experiment did not require sub-Poissonian photon statistics for their explanation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Economic Extraction, Recovery and Upgrading of Rare Earth Elements from Coal-Based Resources (Final Report)

The overall objective of this project is to produce a rare earth elements product with greater than 8% rare earth elements from coal-based resources using an economically viable and environmentally benign processing methodology. The objective of the coal processing work will be to acquire appropriate coal feed and produce a viable clean coal product, a concentrated REE feed stream, and a pyrite stream (where available) that can be used to enhance leaching. The objective of the bio-oxidation portion of the project is to utilize bacteria to oxidize sulfide minerals and ferrous ions to ferric ions to accelerate leaching and remove the sulfides to prevent future acid mine drainage and related liabilities. The objective of the solution conditioning work is to remove iron and control leaching solution conditions to facilitate extraction of REEs without significant thorium extraction. The objective of the column leaching work is to engineer/model and simulate heap leaching to demonstrate low-cost extraction of REEs from coal-based resources. The objective of the solvent extraction work is to selectively extract and recover through controlled stripping of REEs that are solubilized through leaching. The objective of the precipitation portion of the project is to recover the REEs from the solvent extraction stripping solutions and dry them to achieve the final product of rare earth elements that is > 8 % REEs. The objective of the technical, economic, and environmental analysis is to determine the overall viability of the processing approach that is demonstrated in this project

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Facilitated Direct Liquid Fuel Cells with High Temperature Membrane Electrode Assemblies

Dimethyl ether (DME) is a liquid fuel of great potential impact due to its exceptionally high energy density. However, it has received minimal prior investigation as an alternative to either purified hydrogen or other liquid fuels, including methanol (MeOH). In the limited published literature work on direct dimethyl ether fuel cells, regardless of operating temperature, PtRu (either supported or unsupported on carbon) has been established as the standard catalyst of choice. The majority of the work in this program also utilized a Johnson Matthey (JM) HiSPEC ® 12100 PtRu/C (nominally 50% Pt, 25% Ru) while looking at electrode optimizations, beginning of life (BoL) performance, pressure- and temperature-dependent studies to look at the effect of binding affinity of DME oxidation intermediates, mass transport effects, crossover studies, and durability. However, it does also investigate some promising alternatives to PtRu/C as well, which should be investigated in more detail in further work. Those catalysts include a pair of ternary PtRuPd/C catalysts (from Los Alamos National Laboratory (LANL) and Pajarito Powder, LLC. (PP)) as well as a Pt 2 Bi Black catalyst from Professor Anastasios Angelopoulos of the University of Cincinnati (UC). This work achieved several project objectives, including an optimization of the membrane electrode assembly (MEA) process using PtRu/C anode catalyst. Additionally, these direct dimethyl ether fuel cells (DDFCs) were able to match or exceed many performance metrics for the state-of-the-art (SOA) direct methanol fuel cells (DMFCs), a primary and more evolved competitor to direct dimethyl ether fuel cells. This included peak specific power, total platinum group metal (PGM) loading, crossover current, degradation rate, start/stop cycling losses, and anode specific current.

09 BIOMASS FUELS↗
DOE OSTI2023

Enabling Dark Energy Measurements from DESI and LSST (Final Technical Report)

This grant enabled efforts to lead the Survey Validation of the Luminous Red Galaxy (LRG) sample for DESI, entailing intensive work to prepare target samples, test their performance with DESI data, and validate that the requirements of the survey for this key sample are met. Luminous Red Galaxies represent the gold standard target class for Baryon Acoustic Observation experiments to study Dark Energy. It also funded work to co-leading the Follow-up Task Force within the LSST Dark Energy Science Collaboration (LSST DESC), which is intended to help develop collaborations with external groups and to produce cross-working group proposals for telescope time, policy proposals and white papers as needed in order to help the collaboration obtain and make use of complementary data which will strengthen LSST Dark Energy constraints. The PI has been particularly engaged in efforts to obtain access to spectroscopic training sets for LSST photometric redshifts in the first years of the survey, which requires developing relationships with groups that are obtaining such data for other purposes. This group has evolved into an External Synergies working group within DESC, also co-led by the PI. These groups have developed white papers for Astro2020, letters of intent and white papers for Snowmass2021, and a response to a DOE-NASA RFI. It also has enabled smaller contributions to improving LSST DESC pipeline infrastructure for photometric redshifts.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Learning an Algebriac Multrigrid Interpolation Operator Using a Modified GraphNet Architecture

This work, building on previous efforts, develops a suite of new graph neural network machine learning architectures that generate data-driven prolongators for use in Algebraic Multigrid (AMG). Algebraic Multigrid is a powerful and common technique for solving large, sparse linear systems. Its effectiveness is problem dependent and heavily depends on the choice of the prolongation operator, which interpolates the coarse mesh results onto a finer mesh. Previous work has used recent developments in graph neural networks to learn a prolongation operator from a given coefficient matrix. In this paper, we expand on previous work by exploring architectural enhancements of graph neural networks. A new method for generating a training set is developed which more closely aligns to the test set. Asymptotic error reduction factors are compared on a test suite of 3-dimensional Poisson problems with varying degrees of element stretching. Results show modest improvements in asymptotic error factor over both commonly chosen baselines and learning methods from previous work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

FY2021 Rotating Bed Reactor for Iodine Removal from ETF Feed to Support DFLAW Start-Up

In FY20, Washington River Protection Solutions, LLC (WRPS) began a program of work to evaluate potential technologies for removal of iodine from the ETF feed. Work at the Pacific Northwest National Laboratory (PNNL) focused on ion exchange media and conventional column based deployment while Atkins and VSL focused on ion exchange media in a Rotating Bed Reactor (RBR) system. In the RBR system, the ion exchange media is loaded into a packed bed, which is rotated in the liquid to be treated. The work described in this report builds on the results from FY20 work, in particular, with regard to improving iodate removal, extending the data set to support process modeling, further comparison of RBR versus column performance, and RBR scale-up testing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Development of High Temperature (>700°C) molten Salt Pump Technology for Gen3 Solar Power Tower Systems

Generation 3 Concentrating Solar Power (CSP) Systems require thermal energy storage that can efficiently receive solar heat and deliver it to a working fluid at temperatures greater than 700°C. For liquid systems, the thermal transfer fluid must be phase stable over large temperature ranges. High temperature molten salts meet this criteria, but are difficult liquids to handle. The high heat and salt content can be very corrosive to several different materials that are wetted by the liquid salt. For power tower collectors, the molten salt must be pumped under high pressure to the top of the collector tower. These pumps have impellers and shafts as part of their rotating elements, and under load, require bearings to control shaft movement while rotating. These high temperature pumps require submerged bearings, and thus bearing materials that can withstand the temperature and molten salt contact over long periods of time. This is essential for keeping pump maintenance costs low, and downtime to a minimum. Long running bearing materials is an enabling technology for integrated liquid systems in Generation 3 CSP Systems. Keeping costs low and systems reliable are critical for the broad adoption of Gen 3 CSP Systems. Hayward Tyler, Inc (HTI) proposed development of journal bearing materials for use in vertical pumps designed for pumping high temperature molten salt on both the hot and cold sides of the solar power tower. To complete this objective, HTI utilized the testing capabilities of Oak Ridge National Laboratory (ORNL) and High Temperature System Design (HTSD). Materials would first be selected for static corrosion testing, then downselected for tribological testing. Successful tribologically tested materials would then be downselected for use in additional test regimes. Ten samples were selected for static corrosion testing. Three passed the static testing regime. Two of these materials were downselected for ball material in tribological testing against three metallic alloys: Sintered Y2O3 Partially Stabilized Zirconia YTZP and Silicon Nitride, Grade 147-31N. HTI also proposed collecting data from a thorough bearing test regime using a test rig designed and built as part of this project, and also a conceptual design for a high temperature molten salt vertical pump. HTI withdrew from the project prior to completion of this work and this report reflects only the work completed prior to withdrawal. The completed work produced two papers, one manuscript submitted for publication, and one paper published in the journal Solar Energy Materials and Solar Cells. The papers are: “Tribological behavior of ceramic-alloy bearing contacts in molten salt lubrication for concentrating solar power” and “Material Selection and Corrosion Studies Of Candidate Bearing Materials For Use In Molten Chloride Salt."

14 SOLAR ENERGY↗
DOE OSTI2022

United States Nuclear Data Program Annual Report for FY2021

The US Nuclear Data Program (USNDP) Annual Report for Fiscal Year 2021 (FY21) summarizes the work of USNDP for the period of October 1, 2020 through September 30, 2021, with respect to the Work Plan for FY21 that was prepared in 2019. The Work Plan and Final Report for USNDP are prepared for the DOE Office of Science, Office of Nuclear Physics. The support for the nuclear data activity from sources outside the nuclear data program is described in the staffing table and in Appendix A. This leverage amounts to about 3.24 FTE scientific, to be compared with 25.095 FTEs at USNDP units funded by the DOE Office of Science, Office of Nuclear Physics. Since it is often difficult to separate accomplishments funded by various sources, some of the work reported in the present report was accomplished with nuclear data program support leveraged by other funding.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Grid-Connected Modular Soft-Switching Solid State Transformers (M-S4T)

The objective of this project is to develop and verify the concept of a flexible and modular soft-switching solid-state transformer (M-S4T) for direct grid-connected applications. The ability to directly connect power electronics converters to the medium voltage grid (4 kV – 13 kV), and to potentially replace the passive and bulky, but ubiquitous 60 hertz service transformer in the 25 kVA to 100 kVA range, with a more flexible and controllable device, has been regarded as the ‘holy grail’ in grid control. However, this has proven to be extremely difficult. This project has developed the solutions to several key challenges of the direct grid-connected power electronics and realized a 7.2 kV M-S4T prototype. First, a protection method to protect the M-S4T from the high voltages (110 kV for the 13 kV system) that occur on the grid due to transients and lightning strikes have been developed and experimentally verified. Second, the realization and the operation of the M-S4T based on high-voltage SiC devices (>3.3 kV) and a medium-frequency medium-voltage low-leakage transformer in a single-stage solid-state transformer with zero-voltage switching, low dv/dt, and low electromagnetic interference has been successfully demonstrated up to 7.5 kV peak. Third, an oil-cooling system and stable communication and distributed control system for converter module voltage sharing have been developed and experimentally verified. The developed M-S4T has realized a modular universal high-performance power conversion system. This conversion system is scalable to different voltage and power levels and adaptable to four-quadrant bidirectional operation. Moreover, the use of passive cooling techniques meets the equipment life requirements, and the lightning protection scheme fulfills the basic insulation level specifications for direct grid connection. Such power conversion system opens up near-term opportunities, including energy storage, solar PV, or electric vehicle charging with significant cost and footprint savings. In the longer term, the possibility of replacing the utility distribution transformer with an M-S4T will be transformative for future distribution grids with a compact footprint and full controllability to enable high renewable energy and storage penetration. In addition to the main project, this report expands on the Plus-Up projected including as part of the main award. This project developed and demonstrated the technology for autonomous collaborative inverters that can be connected in an ad hoc manner to the grid. The aim of the project was to: (1) evaluate the existing techniques for grid-connected inverters and find their limitations; (2) develop detailed requirements for grid-connected inverters in the modern grid with millions of active nodes; (3) design a unified control strategy that brings more autonomy and intelligence to grid-connected inverters, and addresses parts of the issues with the existing techniques. The proposed technique, called UniCon, enables inverters to 1) connect/disconnect to/from the grid in an ad hoc manner; (2) work based on local sensing. Slow communication could be used for a more optimized behavior; (3) work automatically in both grid-forming/grid-following mode; (4) handle large disturbances, e.g., big load step and fault, in an oscillation-free manner; (5) work collaboratively with other inverters in steady-state and during transients. UniCon can be implemented in the middle-level control; hence it is agnostic to the vendor and to the implementation of the inner voltage/current and protection loops. Furthermore, a new synchronization scheme, based on deep learning, was developed that can extract the grid voltage phase and amplitude in a stable manner. The method is cheap to implement can improve the dynamic performance of the grid-connected inverters during fast transients, e.g., fault. The proposed control scheme was validated by (1) MATLAB/Simulink; (2) hardware-in-the-loop results, and; (3) experimental results using three inverters that form a microgrid in a down-scaled feeder. Lastly, both the M-S4T and UniCon have achieved promising tangible paths to markets. In the case of the M-S4T, the underlying technology — the Soft Switching Solid State Transformer (S4T) developed at the Georgia Tech Center for Distributed Energy (GT-CDE) has been licensed by GridBlock from the Georgia Tech Research Corporation, and GridBlock has been working with manufacturing partner Jabil (one of the largest US-based contract manufacturers) and system integrator Power Secure (largest deployer of microgrids in the US with 4.7 GW under management), to meet the strong initial demand. Similarly, GridBlock has an exclusive license to the UniCon technology, developed under this award by GT-CDE. The UniCon provides an intermediate control layer that enables the implementation of the higher-level ‘transactive’ control commands for the system. The architecture of the system - slow communications with the cloud for system optimization and setpoints, and the use of locally measured quantities for real-time control, provide a very robust and secure way of implementing a real-time must-run grid that is also secure and stable. This is a brand-new functionality that is critical for the future grid and key to GridBlock’s business model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

American Made Challenges Battery Voucher Program Cooperative Research and Development Agreement (Cooperative Research and Development Final Report, CRADA Number CRD-21-17533)

Renewance is a Phase II winner of the U.S. Department of Energy Lithium-ion Battery Recycling Prize. The Prize is designed to incentivize American entrepreneurs to develop and demonstrate processes that, when scaled, have the potential to profitably capture 90% of all discarded or spent lithium-based batteries (LIB) in the Unites States for eventual recovery of key materials for re-introductions into the U.S. supply chain. The objective of this work is to enable a more efficient evaluation of battery sources for second life applications prior to ultimately being recycled, through evaluation of chemistry characteristics, projected battery lifetime, and application history. This work will develop the capability to identify groups of batteries that may be useful for second life and reduce the cost of end-of-life (EOL) LIB evaluation and repurposing. To meet the objective, NREL will use existing and new data to create a refined algorithm that could be used to evaluate batches of batteries for potential reuse based on manufacturing date and historical use characteristics. Based on current battery market prices and compiled literature data, a starting-point estimate of the market value of the batteries for reuse based on expected lifetime will be included in the algorithm. With the projected surge in LIB demand, battery second life is a new area ripe for development and investment from companies like Renewance. With so few large format batteries reaching EOL to date, this is a new market with a variety of areas for optimization and adding value. This work with Renewance is an example of how existing expertise in battery degradation at NREL can be used to reduce the cost of shifting a battery into a second life application. With these cost reductions, this work is also facilitating the development of a battery circular economy in the United States. A robust circular economy can maximize the utilization of critical metals demanded by battery technology such as nickel and cobalt while also reducing the costs of batteries in the marketplace for the many end-uses needed for the green energy transition. The supply of these metals is limited, and we face a supply chain shortage both domestically and globally unless we can ensure they are being used to their maximum potential. This research can improve the economics of a battery circular economy to make it a more likely path for EOL batteries with critical metals. CRADA benefit to DOE, Participant, and US Taxpayer: assists laboratory in achieving programmatic scope competencies, uses the laboratory's core competencies.

25 ENERGY STORAGE↗