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DOE OSTI2021

Design, Manufacturing and Performance Considerations in Reactor System, Components and Materials

Idaho National Laboratory (INL) is the national and global leader of the Department of Energy (DOE) ’s nuclear energy research, development, and demonstration programs. Developing critical design criteria of new advanced reactor systems, components and materials requires an understanding of fabrication and the irradiation environment during normal operating and accident conditions. Next generation researchers and designers, are, therefore challenged not only by demands for ever improved performance but must also work to shorten the development and commercialization lifecycle for new nuclear reactors and systems to remain competitive. This provides unique and exciting opportunities for all contributors to this field of study. This presentation will offer a strategic overview of the competitively funded R&D awards by the Advanced Methods for Manufacturing (AMM) program of the DOE’s office of Nuclear Energy (NE). This program conducts research and development (R&D) to accelerate innovations by reducing the cost and schedule of constructing new nuclear plants and to make fabrication of nuclear power plant components faster, cheaper, and more reliable. By evaluating state-of-the-art practices found in other large manufacturing industries, the nuclear community has identified six major areas of innovation to reach the objectives of this DOE-NE program. Additionally, typical research case studies performed at INL, will be presented, showing the vast variety of opportunities for which, the next generation of researchers can seek solutions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

High-Temperature Heat Pump Model Documentation and Case Studies

High temperature heat pumps (HTHPs) have the potential to serve two valuable functions in the U.S. industry. First, by valorizing and elevating waste heat streams, HTHPs can improve industrial energy efficiency. Second, by electrifying process heat generation, HTHPs can replace combustion technologies with less carbon-intensive sources of energy and reduce industrial greenhouse gas emissions. In certain applications, the combination of increased efficiency, cost savings, and emissions reduction makes HTHPs a promising component of strategies for industrial electrification and clean energy transition. Researchers at NREL have developed a HTHP model. This model has both a physics-based performance estimation component and an economic evaluation component designed to demonstrate the potential economic competitiveness of HTHPs. This document has three main sections. First, an overview of HTHPs is provided as a literature review of relevant information to provide the reader with state-of-the-art information. Second, a description of the HTHP model is provided along with detailed instructions about how to use the model. Third, case studies are provided to showcase the deployment of the HTHP model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Reconstruction of 3D Concrete Microstructures Combining High-Resolution Characterization and Convolutional Neural Network for Image Segmentation

After water, concrete is the second most used material in the world. Concrete’s forming adaptability and low-cost constituents make it a predominant material used in the construction of civil infrastructures in nuclear power plants such as concrete biological shields, containment buildings, turbine buildings, fuel handling and storage buildings, underground piping for cooling, cooling towers, and so on. Depending on environmental and operating conditions, these passive structures are subject to time-dependent phenomena that can either enhance (e.g., continued hydration) or degrade concrete’s structural performance. Unlike components such as the reactor pressure vessel and the primary circuit, concrete composition varies regionally because it is manufactured using local aggregates and cement. Hence, concrete performance metrics over time cannot be derived confidently using empirical relations. Alternatively, the specific characteristics of the local concrete constituents and their assemblage in concrete must be considered.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Oxidation of lithium plasma facing components and its effect on plasma performance in the lithium tokamak experiment-β

The characteristics of lithium-coated plasma-facing components (PFCs) have been correlated with plasma performance on the lithium tokamak experiment-β (LTX-β). Previous experiments on LTX showed that the application of lithium to PFCs was needed to achieve higher performance discharges with flat electron temperature profiles and high edge temperatures. Samples that match the LTX-β PFCs were exposed to plasmas before and after PFCs were coated with lithium and transferred under vacuum to a surface analysis station. Measurements using x-ray photoelectron spectroscopy (XPS) revealed that the primary surface constituent was lithium oxide. Earlier XPS analysis of lithium-coated PFCs on LTX was only able to show the presence of surface oxygen. The new XPS data from LTX-β have sufficient resolution to clearly identify lithium compounds for the first time, and enable them to be correlated with how lithium-coated PFCs can reduce impurities and retain hydrogen to reduce recycling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

System design and analysis of thermal power dispatch systems for boiling water reactors

Nuclear power plants are crucial to meeting net zero emission goals and achieving energy sustainability. Integrating these plants with clean energy technologies such as high-temperature steam electrolysis (HTSE) may improve the efficiency and economic competitiveness of these plants. Here, the current study investigates the design and operation of a thermal power dispatch (TPD) system for coupling boiling water reactors (BWRs) to HTSE plants. The TPD system extracts a portion of the steam from the reactor’s main steam line and transfers its thermal energy to an HTSE plant through a power transport loop. A TPD system for 5 % steam extraction has been designed and the system performance during steady and transient operations has been analyzed. The TPD system dispatched a total of 197 MW thermal energy to the HTSE plant under nominal design conditions. Saturated steam at 7.17 MPa from the BWR plant was condensed and subcooled to a temperature of 168 °C, while a mass flow rate of 91.1 kg/s of superheated steam was dispatched to the HTSE plant. Furthermore, the system performance during transient operation showed a continuous transition from the initial hot standby mode to the nominal power dispatch level. The transient simulation results emphasized the importance of investigating component level performance for the TPD system design. The current results will guide future works on the development of integrated energy systems for hydrogen production or process heat applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Safety Classification and Performance Criteria for Structures, Systems, and Components

This report, “Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Safety Classification and Performance Criteria for Structures, Systems and Components,” represents a key element in the development of a framework for the efficient licensing of advanced non-Light Water Reactors (non-LWRs). It is the result of a Licensing Modernization Project (LMP) led by Southern Company and cost-shared by the United States Department of Energy (DOE).

42 ENGINEERING↗

DOE OSTI2025

Advanced Diagnosis and Accelerated Testing of Balance of System Components for Utility Scale PV Installations: October 1, 2022-September 30, 2024

A study of the durability of PV Balance of System components was performed. Specifically, wire cable jackets and cable connectors were examined within the direct current (DC) PV Power Transmission Chain (PTC). Degraded and failed samples have been obtained from utility PV installations to provide feedback on the degradation modes and the related damage-enabling considerations in today's PV systems. An industry interface group (including system owners, system inspectors, component manufacturers, and test labs) was used to help identify and obtain field-failed samples, for feedback (including samples and experimental design), and to facilitate the subsequent dissemination of the results of this study. Samples were empirically studied using accelerated stress testing with steady-state conditions (cable jackets) in addition to combined-accelerated stress testing (cable jackets, connectors and uncapped connectors). Steady-state accelerated testing has been performed using at least one applied stressor (e.g. UV light) to aid understanding of jacket durability relative to its application. Component- and material-focused failure analysis was conducted to develop an understanding and advise the PV industry. In-depth characterization will be applied selectively to field- and artificially aged-samples, to gain scientific understanding of the structural, chemical, electrical, mechanical, and thermal properties enabling degradation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Performance of discontinuity-free components produced by additive turning computer aided manufacturing strategy

Computer aided manufacturing (CAM) techniques for directed energy deposition (DED) affect the material properties of the manufactured component based on the scan strategy used. In this study, we investigate the material characteristics of turning-style toolpath strategies to generate axisymmetric components with additive manufacturing (AM), referred to in this research as additive turning. This novel approach leverages existing CAM technology for turning, where the component rotates around a stationary cutting tool, to generate toolpath trajectories for DED with varying wall-thicknesses and controlled deposition angles. This strategy allows for entire components to be deposited in one continuous deposition, resulting in reduced cycle-time and improved material usage efficiency compared to conventional AM strategies where the beam is switched off at the end of every layer. Results from this study show that the use of additive turning can produce over 99 % dense components with less variation and anisotropy in texture and hardness, as well as a lower variation in elongation to failure when compared to conventional strategies. This research highlights that various CAM strategies could be deployed for AM to improve process efficiency or enable localized control over part performance.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Impact of Selected High-Performance Fuel Blends on Three-Way Catalyst Light Off under Synthetic Spark-Ignition Engine-Exhaust Conditions

The U.S. Department of Energy funded Co-Optimization of Fuels and Engines initiative aims to simultaneously develop advanced engines along with high-performance fuels to reduce petroleum consumption. The engine exhaust of spark-ignited light-duty vehicles contains pollutants such as nitrogen oxides, carbon monoxide (CO), and non-methane organic gases. When operated above their “light-off” temperature, three-way catalysts (TWCs) efficiently control the emissions of these pollutants from the vehicle exhaust. However, below the catalyst light-off temperature, during cold start, the TWCs are not effective. Thus, the stringent environmental regulations necessitate cold-start compliance of advanced engines operating on novel fuels for commercialization. Exhaust composition strongly impacts the effectiveness of TWCs. Hence, ensuring that the high-performance fuels under consideration do not have detrimental effects on current emissions control technology is necessary. To mitigate cold-start emissions, a low light-off temperature of the fuel on the TWC is desirable. As real-world fuels are multicomponent blends, we conducted investigations into the light-off behavior of representative fuel mixtures on a three-mode redox-aged commercial TWC under synthetic engine-exhaust conditions. The high-performance fuels in this study included 10–30% volumetric levels of ethanol, isobutanol, diisobutylene, and an aromatic mixture. Each of these high-performance fuel components was mixed into a gasoline surrogate blendstock for oxygenate blending (BOB). Our results showed that aromatics and alkenes in the surrogate BOB inhibit low-temperature reactivity of alkanes, alcohols, and CO on the TWC and dominate the blend light-off behavior. All the high-performance fuel blends had a very similar light-off behavior to the surrogate gasoline BOB, indicating that blending up to 30% (by vol.) of high-performance blendstocks in a gasoline base fuel can potentially reduce greenhouse gas emissions through improved engine efficiency and petroleum displacement without jeopardizing the ability to meet emissions regulations. While some high-performance blendstocks demonstrated lower light-off temperatures than a surrogate gasoline blend, taking advantage of the higher catalytic reactivity of these blendstocks to reduce cold-start emissions would require reducing the aromatic content in petroleum-based market fuels.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Evaluation of Mechanical and Thermomechanical Water Vapor Compression Techniques for Enabling High Temperature Lift Hydration-Based Chemical Heat Pumps

Achieving high temperature lifts (>200 K) via a chemical heat pump based on salt hydration/dehydration reactions requires the transport of water vapor from low to high pressure. Alternative compression approaches require condensing of low-pressure water vapor, pumping of liquid water, and subsequent evaporation when the low-side pressure corresponds to sub-ambient water saturation temperatures. Thus, this study compares four steam compression methods for use within a chemical heat pump system based on a reversible calcium oxide hydration/dehydration reaction with a temperature lift from 350 °C heat to >600 °C. Purely mechanical and thermochemical/mechanical compression technologies are considered. A parametric study of maximum allowable temperature, the isentropic efficiency of mechanical compressors, the effectiveness of heat exchangers, and the assumed allowable heat exchanger pressure drop is conducted to determine the mechanical and thermal energy consumed per kilogram of compressed steam. The system complexity in terms of the number of main system components, maximum pressure ratio, and maximum allowable temperature is estimated. Model results show an absorption-based steam compressor has the highest exergetic efficiency for the required chemical heat pump required conditions. As a result, this system configuration was then experimentally demonstrated to illustrate the impact of system performance on component effectiveness.

Advanced reactors↗

DOE OSTI2022

Summary of Development for Structural Component Modeling in Fiscal Year 2022

This report summarizes efforts performed during Fiscal Year 2022 to develop capabilities for modeling structural component degradation in support of the U.S. Department of Energy's Nuclear Energy Advanced Modeling and Simulation Program. These efforts were centered around development of capabilities for the Grizzly code. Efforts focused both on foundational engineering-scale analysis capabilities for damage and shell formulations and on material-scale tools for accounting for irradiation effects in Grade 91 steel. A major outcome of this effort was the development of a general-purpose tool for nonlocal averaging of material properties, which enabled nonlocal damage models. In addition, the applicability of the shell elements in MOOSE has been expanded to allow modeling a wider range of component geometries and using a wide variety of material models. For irradiation effects on materials, a previously developed cluster dynamics model for light water reactor pressure vessel steels has been adapted for application to Grade 91 alloy. This work builds on prior efforts to build a flexible, capable code for addressing a variety of aging and component performance issues in nuclear power plant structural components.

36 MATERIALS SCIENCE↗

DOE OSTI2021

MODELING AND TESTING OF A NOVEL ULTRA-LOW TEMPERATURE SCO2 OPPOSING PISTON EXPANDER

The Flameless Pressurized Oxy-Combustion (FPO) cycle, a novel flexible fuel technology, is being developed into a large pilot. This effort seeks to complete the preliminary engineering and planning of a 25 MWth Pilot Plant that will demonstrate the technology for scale-up to a commercial unit. The technology, pioneered by ITEA at the 5 MWth scale, must be brought to a higher technology readiness level (TRL) to be viable at the commercial scale. The 25 MWth pilot cycle was optimized for cost and technology development and demonstration. Preliminary drawings, layouts, and plans were defined. Process flow diagrams were used to describe the pilot configuration in greater detail. A heat and mass balance with stream data was created. A master equipment list specified the operating conditions for major pieces of equipment within the pilot using this heat and mass balance. The 25 MWth FPO pilot is assessed for environmental performance. A test campaign is developed to assess the type of test and number of hours required for pilot demonstration. The environmental performance is compared against projected performance at the commercial scale. This project builds upon extensive evaluation of the techno-economic performance of the FPO technology already performed by ITEA. This includes system improvements, such as the addition of a turbo-expander to the flue gas stream. Some of the performance-enhancing components are not as well defined as others. The primary goal of this effort was to bring all of the core cycle components to the same level of design maturity. A techno-economic assessment (TEA) evaluated the FPO technology at the commercial scale in comparison to the NETL baseline cases. The reference plants were used in combination with proprietary equipment estimates to build a plant capital cost and cost of electricity evaluation. FPO performed better than the sub-bituminous post-combustion capture cases. Further preliminary estimates of improvements to the FPO cycle show even further gains when compared to conventional carbon capture methods.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

DEVELOPMENT OF A 25 MWTH FLAMELESS PRESSURIZED OXY-COMBUSTION PILOT

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Component-In-Grout Model Implementation for the E-Area Low-Level Waste Facility's Performance Assessment

The component-in-grout (CIG) disposal units are below grade earthen trenches that contain grout encapsulated waste components. Components disposed of within the CIG segments consist of large radioactively contaminated equipment and smaller waste forms (e.g., B-25 boxes and SeaLand containers) to fill the space around and above the large equipment. In the 2022 revision of the E-Area Low-Level Waste Facility’s (ELLWF) performance assessment, groundwater radionuclide contaminant transport through the vadose zone will be modeled using the PORFLOW software package for nine existing CIG segments located within the Slit Trench (ST) 23 footprint - no additional CIG segments are planned for at this time. The nine CIG segments have been placed within two of the nominally 20-foot-wide by 656-foot-long ST segments and are surrounded by no less than 1 foot of grout on all sides and up to 4 feet of backfill material. The two most recently placed CIG segments have an additional reinforced concrete mat to improve structural stability.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

HamPerf: A Hamiltonian-Oriented Approach to Quantum Benchmarking

Quantum computing technologies are undergoing rapid development. The different qubit modalities being considered for quantum computing each have their strengths and weaknesses, making it challenging to compare their performance relative to each other and the state-of-the-art in classical high-performance computing. To better understand the utility of a given quantum processor and to assess when and how it will be able to advance the frontiers of computational science, researchers need a robust approach to quantum benchmarking. A variety of approaches have been proposed, many of which characterize the presence of noise in current quantum devices. These efforts include component-level performance metrics, such as randomized benchmarking and gate set tomography; high-level application-dependent metrics; and devicelevel metrics, such as the Quantum Volume. However, it remains unclear how low-level metrics, such as fidelities and decoherence times, and global device metrics, such as Quantum Volume, relate to the computational utility and practical limitations of quantum processors to solve useful problems. In this paper, we describe our Hamiltonian-oriented approach to quantum benchmarking called HamPerf. Where previous application-dependent approaches specify a suite of benchmarking circuits inspired by applications, we place the problem Hamiltonian at the center. Our strategy allows us to probe the computational performance of a quantum processor on standardized and relevant problem sets, agnostic of the algorithms and hardware used to solve them; it also provides fundamental insights into how device characteristics correlate with computational utility.

Butko, Anastasiia↗

DOE OSTI2025

Using principal component analysis to distinguish different dynamic phases in superconducting vortex matter

Vortices in type-II superconductors driven over random disorder are known to exhibit a remarkable variety of distinct nonequilibrium dynamical phases that arise owing to the competition between vortex-vortex interactions, the quenched disorder, and the drive. These include pinned states, elastic flows, plastic or disordered flows, and dynamically reordered moving crystal or moving smectic states. The plastic flow phases can be particularly difficult to characterize since the flows are strongly disordered. Here, we perform principal component analysis (PCA) on the positions and velocities of vortex matter moving over random disorder for different disorder strengths and drives. We find that PCA can distinguish the known dynamic phases as well as or better than previous measures based on transport signatures or topological defect densities. In addition, PCA recognizes distinct plastic flow regimes, a slowly changing channel flow and a moving amorphous fluid flow, that do not produce distinct signatures in the standard measurements. In conclusion, our results suggest that this position and velocity-based PCA approach could be used to characterize dynamic phases in a broader class of systems that exhibit depinning and nonequilibrium phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems

Multipole moments are the first-order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory prediction of molecular multipole moments thus characterizes errors in modeling the electron density itself, as well as the performance in describing molecules interacting with external electric fields. However, only the lowest non-zero moment is translationally invariant, making the higher-order moments origin-dependent. Therefore, instead of using the 3 × 3 quadrupole moment matrix, we utilize the translationally invariant 3 × 3 matrix of second cumulants (or spatial variances) of the electron density as the quantity of interest (denoted by K). The principal components of K are the square of the spatial extent of the electron density along each axis. A benchmark dataset of the principal components of K for 100 small molecules at the coupled cluster singles and doubles with perturbative triples at the complete basis set limit is developed, resulting in 213 independent K components. The performance of 47 popular and recent density functionals is assessed against this Var213 dataset. Several functionals, especially double hybrids, and also SCAN and SCAN0 predict reliable second cumulants, although some modern, empirically parameterized functionals yield more disappointing performance. The H, Li, and Be atoms, in particular, are challenging for nearly all methods, indicating that future functional development could benefit from the inclusion of their density information in training or testing protocols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Implementation of the Glued Sphere Discrete Element Model for Non-Spherical Particles in MFiX Software

To enhance solver capabilities, simulation flexibility and model validation within the MFiX software, the U.S. Department of Energy (DOE) is funding efforts to develop and integrate the glued-sphere discrete element method into the latest version of MFiX as a dedicated computational module. The glued-sphere discrete element method is a numerical technique to depict the behavior of non-spherical particles in granular flows or particulate systems by representing them as a collection of component spheres. These spheres are bonded together to approximate the shape and mechanical/chemical properties of a more complex particle. The method effectively reuses the existing sphere-sphere collision algorithm, interphase momentum and heat transfer calculations utilized in the traditional discrete element method, extending these capabilities to non-spherical particles. Additionally, this method explicitly resolves intra-particle temperature and species distributions. The MFiX glued-sphere computational module includes tools for generating glued sphere configurations, a dedicated solver, and visualization capabilities in post-processing. More specifically within the computational module, collision detection and calculations were first performed on component spheres and then mapped onto non-spherical particles. The linear spring-dashpot model was utilized to simulate the sphere-sphere interactions.

Ke, Renjie↗