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DOE OSTI2017

Compact System for Operating and Decommissioned Reactor Used Fuel Management - 17243

Most nuclear power plants in operation today were designed with limited wet storage for their discharged used nuclear fuel (UNF), predicated on the assumption that either recycling or geologic storage would be available within the reactor's lifetime. While that has proven to be the case in some countries such as France with its recycling, it has not for most. In the USA, dry storage of UNF at the plant site at an Independent Spent Fuel Storage Installation (ISFSI) has since the mid-1980s been the primary mode of interim storage so that the plant can off-load its UNF from the pools at the power plants. Initially the space reserved for the ISFSI at a reactor site was based on the assumption that the Department of Energy (DOE) would be transporting that UNF to a geological repository site, such as Yucca Mountain, by 1998. However, due to the delay in the opening of any geological repository the utilities are running out of space on their existing ISFSIs for additional UNF dry storage systems. Since plants prefer to keep their ISFSIs inside the protected area of the plant, options for expanding the ISFSI are becoming limited. At the same time, increasing the capacity of the dry storage systems is also not an option in most cases as the dry storage systems have almost reached their capacity limits with the 37 PWR or 89 BWR fuel assembly canister designs. For plants that have announced plans to shut down, their main priority is to off-load the UNF from the pool to dry storage at an ISFSI so that they can proceed to 'Safe store' or other storage options, and start their decommissioning process as soon as possible. Thus, keeping the size of the ISFSI compact is very important for safety, security and economics. This paper will describe the details of a reduced footprint version of AREVA TN's NUHOMS{sup R} System that addresses the need for maximizing ISFSI capacity. This system not only offers a compact design that stores nearly double the number of UNF assemblies in the same space, it also offers superior radiation protection to the workers and public. In addition, it offers unmatched protection against beyond design basis (BDB) events like the tsunami at Fukushima in Japan, the earthquake at North Anna site, tornadoes and manmade attacks such as the 9/11 attack on the World Trade Center in New York. It also includes significant enhancement for a robust Canister Evolved Safety Program for Aging Management. The utilities in the USA are currently using dry storage systems with canisters of different diameter, different length, and different weights. The fuel assemblies that are stored in these canisters are also different in their fuel types (PWR or BWR),different fuel parameters like burnups, enrichments, and cooling times and different storage orientations in the storage overpacks like horizontal or vertical. The compact version of AREVA TN's NUHOMS{sup R} System offers a 'Universal' Storage Overpack which is designed to accept all these different design dry storage canister available in the industry. As UNF storage continues to drives the industry towards innovations that address the need for consolidated storage, compact ISFSIs and aging management, this new evolution of the AREVA TN NUHOMS{sup R} system offers a significant leap forward in addressing all of these challenges. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Performance Evaluation of District Energy Microgrids Planning Tool for Non-Technical Users

Community Microgrids are increasingly gaining popularity worldwide for their efficiency, cost-effectiveness, and local resilience improvement. Microgrid planning tools play a crucial role in their deployment. In the process, tentative designs of the microgrid are simulated, analyzed, and optimized. Due to the complexity of the problem, planning tools must carefully balance computational efficiency while seeking the most optimal solutions. This paper investigates the impact of algorithm selection on CPU and memory utilization of a Community Microgrid planning tool that is specifically designed for non-technical users. We compare two version of the code with two alternatives for Community Microgrid planning tools: a Greedy Algorithm, and a Linear Programming Approach. This comparison examines scenarios spanning from 2 to 50 buildings. Our findings revealed a significant difference in performance between the two algorithms, underscoring the critical role of algorithm selection in optimizing the efficiency of Community Microgrid Planning Tools.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Optimal Electric Vehicle Charging and Discharging Strategies Under DER Compensation Programs: Preprint

The adoption of electric vehicles (EVs) is becoming increasingly popular because of environmental concerns, the greater availability of models, and increased cost-competitiveness with gas vehicles. Because EVs have both charging and discharging capabilities, they provide great potential to help electric utilities with grid operation. When the grid demand is high, EVs can discharge to the grid to reduce the peak load, and vice versa; therefore, electric utilities have designed different policies to encourage EV charging station operators to charge or discharge at certain time periods. The New York State Public Service Commission established the Value of Distributed Energy Resources (VDER), or the Value Stack, to compensate for energy created by distributed energy resources, including EVs. This paper presents an optimization-based approach to identify the "golden hours" and "golden spots," i.e., the effective time periods and geographic locations for EV charging station operators to charge or discharge under the VDER program that can provide them the highest benefit. The proposed methodology can be applied to other compensation mechanisms and distribution systems as well. By working with industry partner NineDot Energy, realistic charging station information is used in this study, and the proposed approach is tested on a distribution feeder. The results from this study can help electric utilities and EV charging station operators determine the ideal charging/discharging time and the ideal locations for the charging station(s) in their distribution systems to achieve maximized benefit.

electric vehicle↗

DOE OSTI2022

Two (or more) for one: Identifying classes of household energy- and water-saving measures to understand the potential for positive spillover

A key component of behavior-based energy conservation programs is the identification of target behaviors. A common approach is to target behaviors with the greatest energy-saving potential. The concept of behavioral spillover introduces further considerations, namely that adoption of one energy-saving behavior may increase (or decrease) the likelihood of other energy-saving behaviors. This research aimed to identify and describe household energy- and water-saving measure classes within which positive spillover is likely to occur (e.g., adoption of energy-efficient appliances may correlate with adoption of water-efficient appliances), and explore demographic and psychographic predictors of each. Nearly 1,000 households in a California city were surveyed and asked to report whether they had adopted 75 different energy- and/or water-saving measures. Principal Component Analysis and Network Analysis based on correlations between adoption of these diverse measures revealed and characterized eight water-energy-saving measure classes: Water Conservation, Energy Conservation, Maintenance and Management, Efficient Appliance, Advanced Efficiency, Efficient Irrigation, Green Gardening, and Green Landscaping. Understanding these measure classes can help guide behavior-based energy program developers in selecting target behaviors and designing interventions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Summary of Technical Meeting To Compare US/French Approaches for Physical Protection Test Beds

In September 2015, representatives of the US Department of Energy/National Nuclear Security Administration, including test bed professionals from Sandia National Laboratories, and representatives of the French Alternative Energies and Atomic Energy Commission participated in a one-week workshop to share best practices in design, organization, operations, utilization, improvement, and performance testing of physical protection test beds. The intended workshop outcomes were to (1) share methods of improving respective test bed methodologies and programs and (2) prepare recommendations for standards regarding creating and operating testing facilities for nations new to nuclear operations. At the workshop, the French and American subject matter experts compared best practices as developed at their respective test bed sites; discussed access delay test bed considerations; and presented the limitations/ constraints of physical protection test beds.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2015

NREL's Sustainable Campus Overview

The high-performance buildings across the Energy Department's National Renewable Energy Laboratory's (NREL) South Table Mountain campus incorporate a number of state-of-the art energy efficiency and renewable energy technologies, making them models for sustainability. Each building, designed to meet the Gold or Platinum standards of the U.S. Green Building Council's Leadership in Energy and Environmental Design (LEED®) program, brings NREL closer to developing the campus of the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Electrical Substation Configuration Effect on Substation Reliability

It is crucial that the U.S. electrical grid be reliable, due to its critical role in the economy and our national defense/security. Many common tasks and industrial operations rely on proper electrical power distribution. In designing new bus systems or evaluating existing ones, the type of configuration employed affects the level of risk, reliability, maintenance, and cost involved. The present work utilizes Systems Analysis Programs for Hands-on Integrated Reliability Evaluations (SAPHIRE) to perform a probabilistic risk assessment (PRA)-based sensitivity study on substation reliability in regard to different bus configurations. This study examines single bus, main and transfer, breaker and a half, double bus/double breaker, and ring bus configurations applied to busses with different numbers of lines. The case variances, methods, and rankings presented herein can help guide bus configurations for electrical grid design/analysis in the future.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2014

Building America Case Study: Evaluation of Residential Integrated Space/Water Heat Systems, Illinois and New York (Fact Sheet)

This multi-unit field demonstration of combined space and water heating (combi) systems was conducted to help document combi system installation and performance issues that needed to be addressed through research. The objective of the project was to put commercialized forced-air tankless combi units into the field through local contractors that were trained by manufacturers and GTI staff under the auspices of utility-implemented Emerging Technology Programs. With support from PARR, NYSERDA and other partners, the project documented system performance and installations in Chicago and New York. Combi systems were found to save nearly 200 therms in cold climates at efficiencies between about 80% and 94%. Combi systems using third-party air handler units specially designed for condensing combi system operation performed better than the packaged integrated combi systems available for the project. Moreover, combi systems tended to perform poorly when the tankless water heaters operating at high turn-down ratios. Field tests for this study exposed installation deficiencies due to contractor unfamiliarity with the products and the complexity of field engineering and system tweaking to achieve high efficiencies. Widespread contractor education must be a key component to market expansion of combi systems. Installed costs for combi systems need to come down about 5% to 10% to satisfy total resource calculations for utility-administered energy efficiency programs. Greater sales volumes and contractor familiarity can drive costs down. More research is needed to determine how well heating systems such as traditional furnace/water heater, combis, and heat pumps compare in similar as-installed scenarios, but under controlled conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Fort Yukon wood Energy Program Wood Boiler Deployment (Final Report)

The Fort Yukon Gwitchyaa Zhee Corporation (GZ) worked with partners on the development of an Integrated Biomass Energy Program for Fort Yukon. This integrated approach linked sustainable forest management with an in- village for -profit wood harvest and delivery business to displace diesel energy with wood energy for heat and power. The program was based on the concept of ecological, economic and social sustainability with a goal of displacing as much diesel and fuel oil as is technically feasible and sustainable; essentially systematically converting a village to significant amounts of wood use. Additionally, GZ worked with the Alaska Energy Authority (AEA) on the development of a rural power system upgrade (RPSU) project that replaced GZ’s existing antiquated diesel power plant and provided upgrades to the existing electrical distribution system. Due to the synergy of the two projects, the Biomass and RPSU projects were combined to provide improved operating efficiency, economy of scale and increased benefits to GZ, the Council of Athabascan Tribal Governments (CATG) and the community of Fort Yukon. The combined project is referred to as the Fort Yukon Combined heat and power (CHP) project. The purpose of the DOE Tribal Energy Program award was to support the preconstruction tasks and installation of wood boilers at the CATG clinic, and at the new GZ diesel power plant as part of an overall program to create a for- profit wood energy utility in Native Village of Fort Yukon. The CHP project provides biomass and diesel generation recovered heat via a new district heating system to the major commercial buildings in Fort Yukon. The CATG clinic will receive heat from a separate biomass boiler to their heating needs. The award from the Department of Energy (DOE) Tribal Energy Program was divided into two phases: Design/Permitting (phase 1) and Construction (phase 2). Phase 1 (Design & Permitting) is cost shared using State of Alaska Renewable Energy Funding (REF) funds through the Alaska Energy Authority (AEA). Phase 2 (Construction) was funded by DOE, AEA and US Department of Agriculture Rural Utility Service (USDA-RUS). Phase 1 of this grant, along with a separate grant from the Denali Commission provided funding for development of the wood delivery infrastructure necessary to support the CHP project. Under phase 2, This DOE grant supported final design of the boiler, bidding, purchase and transport of boilers, installation, technical support and engineering. The AEA and RUS grants supported permitting, final design, material and equipment purchase, and construction and installation of the new diesel power plant and district heating distribution system.

09 BIOMASS FUELS↗

DOE OSTI2024

Combustion Performance and Emissions Optimization Through Integration of a Miniaturized High-Temperature Multi Process Monitoring System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution of wall conditions in utility boilers. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of a coal-fired utility boiler in this project but can be applied to many other industries and applications as well. The new sensor design, leveraging the existing electrochemical noise-based monitoring system, is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data can be transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, five mMPMS were installed at a full-scale pulverized coal-fired plant, Basin Electric Power Cooperative’s Leland Olds Unit 1. The systems were demonstrated over a 6-week period during typical operation. Sensor measurements of deposit thickness were validated during the demonstration and subsequently leveraged to determine sensor-based boiler cleaning strategies. These strategies have the benefit of reduced thermal stresses on boiler tubes from over-cleaning and improved boiler water management. At the end of the project, continued development of the sensor technology was carried out at PacifiCorp’s Hunter Station. REI leveraged the permanent installation of the mMPMS in Unit 3 made possible by DOE funding on a separate program. The work at Hunter Plant focused on application of machine learning and artificial intelligence-based models for integration of sensor signals into control and optimization of Hunter Unit 3 processes.

42 ENGINEERING↗

DOE OSTI2021

High-Temperature Multi-Process Sensor Development and Demonstration at a Full-scale PC Combustion System

Advanced Sensors, Corrosion, Ash Deposition, Optim↗

DOE OSTI2024

FEED Study of CarbonCapture Inc DAC and CarbonCure Utilization Technologies Using United States Steel’s Gary Works Plant Waste Heat (Final Report)

The University of Illinois at Urbana-Champaign (UIUC) led this project to produce a front-end engineering design (FEED) study of an advanced Direct Air Capture and Utilization System (DACUS) system that can remove a minimum of 5,000 tonnes/yr net of carbon dioxide from air (based on cradle-to-gate LCA) and utilizing the CO 2 to produce low carbon intensity ready mix concrete. The designed system, if built, would be larger than any currently existing Direct Air Capture (DAC) collector in the U.S. Such carbon capture technologies are critical to meeting the goals of the DOE’s program to accelerate climate-critical technology. In addition to the power sector, industrial facilities for the manufacture of steel and cement/concrete are among the major sources of anthropogenic CO 2 . DAC is a promising new technology for reducing CO 2 , a potent greenhouse gas, in the atmosphere but is expensive, in part due to the energy required to adsorb and desorb captured CO 2 during cycles. By integrating CarbonCapture Inc. (CCI) DAC modules at United States Steel's Gary Works (USS) and utilizing the site's waste heat, energy, and location this project evaluates the feasibility of utilizing the captured CO 2 and the logistics of transportation. CarbonCapture Inc. has developed an innovative DAC system using novel adsorbents to cost-effectively capture CO 2 . The captured, liquified gas will be trucked to ready-mix concrete plants within the region, the closest of which is approximately 3.5 miles away, where CarbonCure will inject it into concrete during the mixing process at the facilities. The carbon dioxide reacts with concrete, mineralizing into calcium carbonate (CaCO 3 ), permanently locking the greenhouse gas into the matrix of the building material. This FEED study demonstrated a full CO 2 value chain for DACUS from industrial facilities. It also provided a means for Visage Energy Corp. (Visage) to assess the impact of this holistic approach on job creation, regional economic impact, and environmental justice. The project team also included Sargent & Lundy (S&L) to provide the constructability review and costing of the integration of the DAC with the steel plant. Ecotek Engineering USA, LLC designed the outside battery limit (OSBL) infrastructure to connect the DAC and the plant. Activities performed during the project included: (1) Project Management Plan; (2) Technology Maturation Plan (TMP); (3) Initial Workforce Readiness Plan; (4) Workforce Readiness Plan; (5) Front-End Engineering Design (FEED) Study; (6) Project Design Basis; (7) Hazards and Operability (HAZOP) Study; (8) Constructability Review; (9) Project Cost Assessment; (10) Logistics Analysis of CO 2 Transportation to the Utilization Site; (11) Business Case Analysis; (12) Life Cycle Analysis (LCA); (13) Environmental Health and Safety (EH&S) Analysis; (14) Environmental Justice Analysis; and (15) Economic Revitalization and Job Creation Outcomes Analysis. This report provides a summary of the outcomes and results of the project, which was performed between Oct. 1, 2022, through Sept. 30, 2024.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

X-ray Computed Tomography of Irradiated and Unirradiated AGR-3/4 Compacts

X-ray Computed Tomography (XCT) has been utilized to image and characterize compacts from the combined third and fourth irradiation of the Advanced Gas Reactor (AGR) Program, AGR-3/4, fuel. The experiment contained tristructural isotropic (TRISO)-coated fuel particles as well as designed-to-fail (DTF) fuel particles. Two irradiated compacts, representing the lower and higher range of AGR-3/4 burnup (4.85% and 14.92% fissions per initial heavy metal atom FIMA) were examined. These represent the first known highly irradiated TRISO fuel compacts to be examined via X-ray CT. Additionally, two unirradiated compacts from the same production batch as the examined irradiation compacts were also imaged for a baseline comparison. As XCT of irradiated TRISO compacts is not a commonly implemented characterization technique, a significant portion of the report focuses on developed methodology and imaging conditions. A specialized sample shielding device was developed and fabricated specifically to limit received dose to staff during sample preparation for XCT and to minimize excess gamma radiation dose to sensitive electronic components with the utilized X-ray system. Significant penetration through the uranium oxycarbide fuel kernels by significantly hardening the X-ray beam with specialized proprietary filters acquired from Carl Zeiss NTS Ltd. The filter utilized resulted in an average X ray photon energy of ~110 keV which approaches uranium’s K-edge (~115 keV), maximizing penetration for a microfocus X-ray source. The gamma-radiation emitted from the irradiated AGR-3/4 TRISO compacts, has the same properties and mechanisms for interaction with matter as X-rays, thus the detection of gamma-radiation by the utilized X-ray detectors was initially a concern. However, although ?-rays did produce an observable signal on the X-ray detector, its contribution to the overall imaging results appeared negligible upon 3D reconstruction. The neglibile impact on the resulting 3D reconstructed volumes were likely the result of: (1) a significantly lower detection efficiency for ?-rays relative to X-rays; (2) An X-ray flux at the detector several orders of magnitude higher than that of the impinging ?-rays from the irradiated compacts. These results suggest that irradiated compacts with significantly higher radiation fields can be examined in the future if an acceptable route for sample handling and preparation can be determined. Additionally, the 3D imaging results of XCT can provide a valuable means of assessing compacts. While in many ways complimentary to traditional post irradiation examination techniques such as optical ceramography, XCT can provide additional insight into compact features traditionally difficult to discern directly from cross-sectional imaging alone. Preliminary analyses on kernel size, morphology (aspect ratio and sphericity), and kernel orientation were presented. Sphericity, a simple morphological shape descriptor, was utilized to screen for kernel extrusions within the high burnup compact. The number of kernel extrusions identified via XCT represented an approximate two-fold increase from the quantity of extruded particles observed (via optical ceramography) in adjacent compacts from the same irradiation capsule. While numerical analysis of the compact datasets was highly preliminary, initial results show promise for providing complimentary metrics to current AGR-3/4 PIE and potentially additional insight into the processes driving TRISO fuel degradation during reactor operation. Additional analyses to be performed at a later date include a more detailed examination of kernel size, kernel sphericity (and observed kernel extrusions), and sphericity. Given all particles can be observed in a single data volume possible correlation of spatial position with observed kernel features will also be made at a later date.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Legacy Well Leakage Risk Analysis at the Farnsworth Unit Site

This paper summarizes the results of the risk analysis and characterization of the CO 2 and brine leakage potential of Farnsworth Unit (FWU) site wells. The study is part of the U.S. DOE’s National Risk Assessment Partnership (NRAP) program, which aims to quantitatively evaluate long-term environmental risks under conditions of significant geologic uncertainty and variability. To achieve this, NRAP utilizes risk assessment and computational tools specifically designed to quantify uncertainties and calculate the risk associated with geologic carbon dioxide (CO 2 ) sequestration. For this study, we have developed a workflow that utilizes physics-based reservoir simulation results as input to perform leakage calculations using NRAP Tools, specifically NRAP-IAM-CS and RROM-Gen. These tools enable us to conduct leakage risk analysis based on ECLIPSE reservoir simulation results and to characterize wellbore leakage at the Farnsworth Unit Site. We analyze the risk of leakage from both individual wells and the entire field under various wellbore integrity distribution scenarios. The results of the risk analysis for the leakage potential of FWU wells indicate that, when compared to the total amount of CO 2 injected, the highest cemented well integrity distribution scenario (FutureGen high flow rate) exhibits approximately 0.01% cumulative CO 2 leakage for a 25-year CO 2 injection duration at the end of a 50-year post-injection monitoring period. In contrast, the highest possible leakage scenario (open well) shows approximately 0.1% cumulative CO 2 leakage over the same time frame.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Case Study of Using Kokkos and SYCLs Performance-Portable Frameworks for Milc-Dslash Benchmark on NVIDIA, AMD and Intel GPUs

Six of the top ten supercomputers in the TOP500 list from June 2021 rely on NVIDIA GPUs to achieve their peak compute bandwidth. With the announcement of Aurora, Frontier, and El Capitan, Intel and AMD have also entered the domain of providing GPUs for scientific computing. A consequence of the increased diversity in the GPU landscape is the emergence of portable programming models such as Kokkos, SYCL, OpenCL, and OpenMP, which allow application developers to maintain a single-source code across a diverse range of hardware architectures. While the portable frameworks try to optimize the compute resource usage on a given architecture, it is the programmers responsibility to expose parallelism in an application that can take advantage of thousands of processing elements available on GPUs. In this paper, we introduce a GPU-friendly parallel implementation of Milc-Dslash that exposes multiple hierarchies of parallelism in the algorithm. Milc-Dslash was designed to serve as a benchmark with highly optimized matrix-vector multiplications to measure the resource utilization on the GPU systems. The parallel hierarchies in the Milc-Dslash algorithm are mapped onto a target hardware using Kokkos and SYCL programming models. We present the performance achieved by Kokkos and SYCL implementations of Milc-Dslash on NVIDIA A100 GPU, AMD MI100 GPU, and Intel Gen9 GPU. Additionally, we compare the Kokkos and SYCL performances with those obtained from the versions written in CUDA and HIP programming models on NVIDIA A100 GPU and AMD MI100 GPU, respectively.

Dufek, Amanda S↗

DOE OSTI2019

Development of LWR Fuels with Enhanced Accident Tolerance ATF Feasibility Analysis and Final Technical Report Deliverable for the Westinghouse Accident Tolerant Fuel Program (Rev. 2)

The beyond design basis accident at Fukushima Daiichi in March 2011 and the Three Mile Island accident in 1979 imply that severe nuclear accidents may occur at somewhat higher frequencies than previously predicted, and that the financial liabilities of such accidents can cripple a utility. While current fuel is more than adequate for design basis accidents, the potential for harm from beyond design basis accidents (BDBA) has been a driver for Westinghouse development efforts since 2003. After Fukushima, other fuel vendors also began pursuing new fuel materials that can provide significant increases in the time, enabling reactor operators to respond to unforeseen events before significant releases of fuel materials and fission products occur. In order to be commercially successful, accident tolerant fuel (ATF) products must also provide significant fuel cost savings, operating cost improvements as well as safety improvements. This report documents the engineering, design and testing that occurred from October 1, 2016, through September 30, 2018, by the Westinghouse team. In addition, it includes: 1. The results of modeling and simulation work completed to date that supports technical feasibility of the ATF concept in meeting the goals of the enhanced ATF program including a core level analysis predicting how an existing LWR will perform when loaded with ATF. 2. Regulatory Analysis showing path to LTA/LTR acceptance. 3. Business Analysis showing commercial viability of the ATF concept.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Modeling of Reactor Design and Optimization for Scale-Up of the Catalyxx Process for Ethanol Conversion to Higher Alcohol Biofuels

This report summarizes the results of a collaborative efforts between Oak Ridge National Laboratory (ORNL) and Catalyxx Inc. to investigate scale-up of Catalyxx’s Ethanol upgrading to higher alcohols process. The study was funded by the U.S. Department of Energy (DOE) Bioenergy Technologies Office (BETO) under CRADA (Cooperative Research and Development Agreement) No: NFE-20-08396. The project is part of the Direct Funding Opportunity (DFO) for Computational Science to Enable Bioenergy program which utilized computational toolsets developed by the Consortium for Computational Physics and Chemistry, a multi-laboratory consortium in BETO. The report here summarizes a packed-bed reactor modeling effort spanning the range from lab to industrial scale (from 4 gram to 5-ton catalyst beds), and examining reactor design, process optimization strategies, and suggested design and operating conditions for Catalyxx’s ethanol upgrading plants. The results in this report have been shared in monthly steering meetings and presentations are available in the shared data house owned by Catalyxx. The modeling effort helped to define optimum operation conditions for maximum alcohol selectivity and yield: i.e., temperature control scenarios ranging from adiabatic to isothermal, feed rate, pressure, and inlet H 2 /Ethanol ratio. The modeling results were verified at lab-(4 gram) and pre-pilot (4 kg) scales and has been used to evaluate a 5-ton packed-bed reactor and identify operating conditions to maximize the butanol yield. Special focus was given to understanding mass-transfer effects in the pre-pilot and pilot-scale reactors, over the domain of flow rate, pressure, feed composition, pellet size, shape, porosity, bed voidage, and reactor dimensions (i.e., length/diameter). Modeling was also used to evaluate innovative reactor design concepts such as water removal to improve alcohol selectivity and yield, and a reactor with an additional side inlet to facilitate quenching. These concepts were thoroughly explored, and potential benefits were disclosed. The results in this report are summarized and described qualitatively to protect the IP rights of Catalyxx. The details have been shared with the Catalyxx team in the regular steering meetings. At the end of the project, Catalyxx Inc. announced a successful demonstration of pilot scale operation in Seville, Spain.

02 PETROLEUM↗

DOE OSTI2019

The MoSeS dynamic omnigami paradigm for smart shape and composition programmable 2D materials

The properties of 2D materials can be broadly tuned through alloying and phase and strain engineering. Shape programmable materials offer tremendous functionality, but sub-micron objects are typically unachievable with conventional thin films. Here we propose a new approach, combining phase/strain engineering with shape programming, to form 3D objects by patterned alloying of 2D transition metal dichalcogenide (TMD) monolayers. Conjugately, monolayers can be compositionally patterned using non-flat substrates. For concreteness, we focus on the TMD alloy MoSe 2c S 2 (1–c) ; i.e., MoSeS. These 2D materials down-scale shape/composition programming to nanoscale objects/patterns, provide control of both bending and stretching deformations, are reversibly actuatable with electric fields, and possess the extraordinary and diverse properties of TMDs. Utilizing a first principles-informed continuum model, we demonstrate how a variety of shapes/composition patterns can be programmed and reversibly modulated across length scales. Furthermore, the vast space of possible designs and scales enables novel material properties and thus new applications spanning flexible electronics/optics, catalysis, responsive coatings, and soft robotics.

36 MATERIALS SCIENCE↗