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Baseline vs. DER Scenario

Projections and associated uncertainty estimates are generated for a variety of user-selectable EV charging sessions, electricity tariffs, subsidy levels, revenue schemes, charging station configurations, and on-site solar and/or storage options. The outputs are presented in CHIP's web portal browser in the form of easily interpretable graphics (interactive graphs and bar charts) that facilitate convenient comparison among different scenarios to aid decision-making. The user should bring assumptions for modeling on simulation planning horizon, number of EV charging sessions per year, electricity costs (energy and demand charge rates; flat versus time-of-use rate), site capital costs (equipment for EV chargers and transformer), solar PV, and battery energy storage (kW).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Baseline vs. DER Scenario

Projections and associated uncertainty estimates are generated for a variety of user-selectable EV charging sessions, electricity tariffs, subsidy levels, revenue schemes, charging station configurations, and on-site solar and/or storage options. The outputs are presented in CHIP's web portal browser in the form of easily interpretable graphics (interactive graphs and bar charts) that facilitate convenient comparison among different scenarios to aid decision-making. The user should bring assumptions for modeling on simulation planning horizon, number of EV charging sessions per year, electricity costs (energy and demand charge rates; flat versus time-of-use rate), site capital costs (equipment for EV chargers and transformer), solar PV, and battery energy storage (kW).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Baseline vs. DER Scenario

Projections and associated uncertainty estimates are generated for a variety of user-selectable EV charging sessions, electricity tariffs, subsidy levels, revenue schemes, charging station configurations, and on-site solar and/or storage options. The outputs are presented in CHIP's web portal browser in the form of easily interpretable graphics (interactive graphs and bar charts) that facilitate convenient comparison among different scenarios to aid decision-making. The user should bring assumptions for modeling on simulation planning horizon, number of EV charging sessions per year, electricity costs (energy and demand charge rates; flat versus time-of-use rate), site capital costs (equipment for EV chargers and transformer), solar PV, and battery energy storage (kW).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Downloadable Dynamometer Database (D3): Public Test Data on Advanced-Technology Vehicles

Access to high-quality, independent vehicle test data is critical to advancing energy-efficient transportation research. The Downloadable Dynamometer Database (D3) is a public repository of dynamometer test data on advanced-technology vehicles, generated at the Advanced Mobility Technology Laboratory (AMTL) at Argonne National Laboratory and hosted by the Transportation and Power Systems Division. The database has been made available to support researchers, students, and professionals engaged in energy-efficient vehicle research, development, and education. A wide range of vehicle categories has been tested (i.e., alternative fuel vehicles, conventional gasoline and diesel vehicles, all-electric vehicles, hybrid electric vehicles, and plug-in hybrid electric vehicles), as well as various drive cycles and test conditions documented in the accompanying D3 user presentation. Stakeholders can select a vehicle type, identify a vehicle of interest, and download the associated test data for use in their own analyses. Data downloaded from D3 must be accompanied by the required attribution: "This data is from the Downloadable Dynamometer Database and was generated at the Advanced Mobility Technology Laboratory (AMTL) at Argonne National Laboratory." These data are critical to vehicle modeling, validation, technology assessment, and educational use.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Quantum Information for Fusion Energy Sciences (Final Technical Report)

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Quality Ranking of Unary Chloride Salt Property Data Included in MSTDB-TP

Molten salt reactor developers rely on thermal property data to design, license and operate the reactors. The Molten Salt Thermal Database-Thermophysical Properties (MSTDB-TP) was established under the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program and is managed by Oak Ridge National Laboratory to serve as a single source of thermophysical property values measured for a wide variety of molten salt systems for use by researchers, molten salt reactor developers, and regulators. These properties include density, viscosity and thermal diffusivity and conductivity. Published measurements of molten salt properties are lacking for many salts of interest and the data that are available are often inconsistent. This creates a challenge for MSR developers when determining which property values to use when designing their reactors. It is the purpose of this work to apply a consistent ranking system to all data entries that indicates the quality of property values listed in the database. These rankings will be the technical basis for down-selections by the database developers and alert users about the quality of the available property values. MSTDB-TP collects all available property data and indicates preferred data sets or correlations. However, all available data sets are included in the database. Quality assessments and rankings are being applied to data in MSTDB-TP to provide an indication of the quality of each data set independent of consistency with other data. Previous reports detailed the ranking system that was followed and assessments of unary fluoride data sets. Documentation of the quality of data in MSTDB-TP was continued by reviewing and assessing all available sources of density, viscosity and thermal diffusivity or conductivity values for unary chloride salts in MSTDB-TP V3.0 using the same criteria.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Advanced System Thermal Fluids Solver Development for SAM

This work summarizes a feasibility study on testing numerical algorithms that are suitable and efficient for advanced system analysis code development under the mutli-physics framework, MOOSE. The key is the implementation of a high-order one-dimensional staggered-grid finite volume method (SG-FVM), and its direct interaction with the linear/nonlinear solver, PETSc. Leveraging the existing capabilities of the SAM code, significant code coverages were established in the finite volume method code. This in turn allows for a suite of test problems with different problem sizes and levels of complexity to be used to quantify the performance improvement of the finite volume method code. As evidently shown in this study, the implemented SG-FVM demonstrated superior performance improvement against a direct finite element method implementation through MOOSE for the wide range of selected problems. On two computer systems, the speedup was observed to be significant, with at least one order of magnitude of solving time reduction. In addition, for a complex reactor model, transient simulation was performed using the finite volume method code, the results of which agree very well with the reference results from the finite element method code. Overall, this study demonstrates a successful feasibility study on the proposed numerical algorithms and software structure to support advanced system analysis tool development. In this work, short-term priority development and testing items were identified, and long-term code adoption and integration plans were made for the eventual deployment of the finite volume method in the SAM code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

A Scalable Solution for Grid Optimization and DER Integration (CRADA Final Report)

Utilidata Inc. is an energy software company that provides clean energy and digital solutions for utilities. This work was the result of Utilidata Inc. being awarded a New York State Energy Research and Development Agency award to integrate Utilidata volt-VAR optimization (VVO) software with smart inverters to explore enhanced voltage control. This project was conducted in partnership with Utilidata Inc., National Grid, the New York State Energy and Research Development Authority, and the National Renewable Energy Laboratory (NREL). As part of the project NREL conducted modeling and simulation analysis, developed cost-benefit analysis framework, and conducted laboratory testing to understand the potential for smart inverter integration to a centralized VVO control scheme. The remainder of the report provides an executive summary of the work, an introduction to the challenges, sections detailing specific aspects of the work, and the overall findings and conclusions.

14 SOLAR ENERGY

Expanding Activity Allocation Models to Daily Activities: Tracking Simulated Agent Trips to Exercise Locations in Clarksville, TN

Exercise facilities have been proven to have numerous physical, mental, and psychological benefits, yet exercise facilities are still inaccessible to a large portion of the population. This study serves to explore the accessibility of fitness centres through geographical, demographic, and temporal lenses through an expansion of the UrbanPop framework that seeks to allocate simulated agents to fitness centres in the Clarksville metro to explore the effects of travel distances on different demographics throughout the week. Findings indicate that senior and retired demographics consistently travel longer distances to exercise in the larger Clarksville area, likely due to tendencies to live further from the center of the metropolitan area. Furthermore, all demographics tend to travel further distances to exercise on the weekends rather than the weekdays, indicating that travel distance can affect likelihood of agents to travel, especially on weekdays when many agents are in the workforce or participating in schooling.

99 GENERAL AND MISCELLANEOUS

CONNECT Neutronics Initial Report

This report represents the first status update from the Creation of Next-generation Nuclear Energy Computational Technology (CONNECT) effort within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program and is intended to satisfy the reporting requirements of the following milestones: • M3MS-24OR0101321: Assess needs, requirements and opportunities for high-fidelity neutronics and transport as used in DOE-NE program. • M3MS-24AN0101301: Generate a community report on the needs, requirements, and opportunities for high-fidelity neutronics and transport as used in DOE-NE programs and industry. • M3MS-24OR0202433: Implement and assess numerical strategies leveraging Monte Carlo neutron transport on GPUs for production analysis. In particular, Sections 1, 2, and 3 detail the assessment of the current state of practice and the landscape of the broader advanced computing world to meet the objectives of M3MS-24OR0101321 and M3MS-24AN0101301, while Sections 4 and 5 describe new work during FY24 to extend current GPU Monte Carlo capabilities in areas relevant to active NEAMS development to satisfy M3MS-24OR0202433. Section 6 offers some thoughts about the potential future impact of Monte Carlo neutronics on NEAMS and the nuclear industry.

22 GENERAL STUDIES OF NUCLEAR REACTORS

MC Formula Protocol for H35HF Fueling (CRADA Final Report)

The National Renewable Energy Lab (NREL), Frontier Energy, and the industry partners worked together to help SAE J2601-5 develop an H35 high-flow (HF) medium-duty (MD) and heavy-duty (HD) fueling protocol. The team upgraded NREL's hydrogen filling simulations (H2FillS) model to accommodate an MC Formula fueling (t-final) table generation capability by leveraging NREL's high-performance computing system. Based on protocol boundary conditions (e.g., allowable maximum flow rate, range of storage system size) set by SAE J2601-5, the team generated the fueling tables and then validated the reliability of those tables by installing them on NREL's HD dispenser and ZBT's H35HF dispenser and then performing H35HF fueling experiments. Through the validation process, this team certified that the fueling tables generated were reliable to install in commercial H35HF dispensers and then performed H35HF fueling of commercial MD/HD vehicles.

08 HYDROGEN

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

The DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad range of advanced reactor concepts. The research and development approach under the thermal fluids technical area synergistically combines three length and time scales in a hierarchical multi-scale approach. To enable multi-scale thermal fluids capability using these codes, a key joint effort has been underway to develop an integrated system- and engineering-scale thermal fluids analysis capability, through integration of SAM and Pronghorn codes, both based on the MOOSE framework.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Property Measurements of LiF-NaF-KF Molten Salts Doped with Corrosion Products and Oxygen

Measurements of thermophysical properties of molten salts are needed for modeling and simulation activities that support the development of molten salt reactor (MSR) technologies. Properties of interest including transition temperatures, phase behavior, heat capacity, density, volumetric thermal expansion, surface tension, viscosity, thermal diffusivity, thermal conductivity, and vapor pressure are being performed at Argonne. Results of these property measurements are suitable for use in evaluating reactor performance during startup and the early operating life of the reactor. Ingressions of oxygen and moisture into the fuel salt are expected to occur at different times during the operating life of the reactor due to system leaks, maintenance, and refueling activities. The presence of these environmental contaminants induces corrosion of structural materials. The introduction of corrosion-derived species, oxygen and moisture is expected to affect the physical and chemical properties of the salt and operation of the reactor. Previous work performed at Argonne evaluated the effects of fission product dopants on the thermal properties of eutectic LiF-NaF-KF (FLiNaK). Properties of FLiNaK are commonly used to represent those of fluoride-bearing fuel salts. Metallic corrosion products such as chromium and nickel ions together with dissolved oxygen are expected to affect system redox differently than the accumulation of fission products. Work summarized in this report was performed to measure the effects of corrosion products and dissolved oxygen on the phase transitions, and specific heat capacity of FLiNaK. Thermophysical property measurements were made using four salts that were prepared by doping aliquots of a eutectic mixture of FLiNaK with surrogate corrosion products. Controlled additions of CrF 3 and NiF 2 were used as surrogates for corrosion product contamination anticipated during extended reactor operations in which fuel salt is in contact with steel reactor components. Controlled additions of UF 4 from two sources containing known amounts of UO 2 at different concentrations were used to represent oxygen contamination. The phase transitions and specific heat capacities of the four salts were measured by using differential scanning calorimetry. Measurements were made at temperatures spanning the range of 500−900 °C, which is the expected operating range of MSRs. Measured property values were compared to values measured previously with eutectic FLiNaK without dopants. Differences between property values measured for the doped and non-doped salts were compared with the uncertainties of the measurements to determine the significance of the effect of corrosion products and oxygen on salt properties.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Completion of Transport Property Measurements on Multiple Actinide Fluoride Mixtures

One of the missions of the US Department of Energy’s Office of Nuclear Energy (DOE-NE) Molten Salt Reactor (MSR) Campaign under the Advanced Reactor Technology program has been to experimentally measure thermophysical properties of MSR-relevent salt systems, with the intent of supporting the development of the Molten Salt Thermal Properties Database (MSTDB). This database is jointly funded by the DOE-NE Nuclear Energy Advanced Modeling and Simulation Program and the MSR Campaign. Multiple DOE national laboratories, including Oak Ridge National Laboratory (ORNL), have been conducting measurements of thermophysical properties to support MSTDB development and provide MSR developers with access to new data that has been measured using modern methodologies and more advanced sample characterization techniques. These data may either fill gaps in the database or provide updated higher quality data to replace legacy data. Researchers at ORNL have recognized significant gaps in the transport property data of actinide-bearing fluoride salt systems of MSR industry interest. Moreover, for the data present in MSTDB in this category, the uncertainty margins are generally high, leading to questionability in our current understanding of the thermophysical characterization of actinide fluoride mixtures. As such, the focus of this study has been to generate new transport property data of actinide fluoride mixtures that are of immediate interest to MSR developers. Specifically, the mixtures NaF-UF 4 (78 - 22 mol%) and NaF-KF-UF 4 (57-16.04-26.91 mol%) have been studied—NaF-UF 4 for thermal conductivity and viscosity and NaF-KF-UF 4 for viscosity. Thermal conductivity measurements have been conducted with a variable gap apparatus, whereas viscosity has been measured with a rolling ball viscometer. Methodological and calibration details are provided for both measurement processes, along with measurement system updates that have enabled easier manufacturing of components and fewer challenges associated with conducting the measurements themselves. The resultant data collected for NaF-UF 4 (78–22 mol%) and NaF-KF-UF 4 (57-16.04-26.91 mol%) have been compared with relevant mixture data within the thermophysical arm of the MSTDB (MSTDB-TP).

22 GENERAL STUDIES OF NUCLEAR REACTORS

SCALE 6.3.3 User Manual

SCALE is a comprehensive modeling and simulation suite for nuclear safety analysis and design developed and maintained by Oak Ridge National Laboratory under contract with the U.S. Nuclear Regulatory Commission, U.S. Department of Energy, and the National Nuclear Security Administration to perform reactor physics, criticality safety, radiation shielding, and spent fuel characterization for nuclear facilities and transportation/storage package designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS

HFIR LEU High Density Silicide Dispersion Optimized Design Neutronics Analyses with PHAME

A high-fidelity neutronics model of the Oak Ridge National Laboratory High Flux Isotope Reactor (HFIR) with the low-enriched uranium (LEU) high-density silicide dispersion Optimized fuel design was updated and analyzed to generate reactor physics-based metrics to support follow-on thermal hydraulic and transient analyses of this design. The Python HFIR Analysis and Measurement Engine (PHAME) was also updated to enhance the automation capabilities of the framework developed and maintained to perform these reactor physics modeling and simulation efforts. The automated framework significantly increases the efficiency and reproducibility to design and thoroughly analyzes HFIR LEU core designs, changes, and uncertainties. Reactor physics metrics evaluated include but are not limited to fuel depletion, cycle length, fission rate density distributions, axial power peaking factors, kinetics data, reactivity coefficients, control element worths, heat deposition rates, and decay heat. These neutronics results provide essential input to follow-on steady state thermal, thermal hydraulic and reactor transient analyses, which are subject of other reports. The Optimized design operates at 95 MW to maintain HFIR’s current highly enriched uranium core performance level at 85 MW.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Uncertainty Quantification for Smooth Functional Data with Application to Material Properties

This document outlines a method for processing functional output (i.e., curves) for the ultimate purpose of sampling curves under specified input conditions for use in modeling and simulation uncertainty quantification (UQ) studies. A set of benchmark curves sufficiently representative of the relevant scenario(s) being simulated are provided to the process and formatted as described in Section 1. Principal Component Analysis (PCA) is utilized to discover the components of uncertainty in the benchmark curves and is outlined in Section 2. Section 3 describes the application of uncertainty quantification to the PCA results for the purpose of sampling curves to be used in UQ analysis. Section 4 applies these techniques to an example benchmark dataset. Concluding remarks are provided in the final section.

36 MATERIALS SCIENCE

Estimation Methodology to Evaluate Hypothetical Downwind Impacts from Fusion Plants

The continuing move toward establishing fusion systems for power generation and the associated research to that end is prompting examination of the potential health and safety impacts of such plants to the environment and human health. As many fusion facilities will have tritium inventories on site as part of the fusion fuel, evaluating the potential for downwind impacts from fusion facilities or power plants resulting from accident or routine emissions is a general requirement for assessing location and impacts to workers and the public. As part of siting considerations and permitting, the fusion facilities would be evaluated for potential for downwind concentration and dose impacts. For accident assessment scenarios, the downwind impacts are usually modeled as an instantaneous (or near-instantaneous) release of material transported following the wind. A range of meteorological conditions are usually assessed to determine a bounding case which results in a dose exceeding a specified threshold (e.g., 95 th or 99 th percentile; DOE 2015). This report provides initial estimates of the downwind dose impacts from a potential tritium release at a fusion power plant-relevant facility and identifies potential distances required to limit impacts to nearby population. This effort is meant to provide a bounding analysis and theoretical understanding of impacts of tritium releases for facilities subject to various environmental and atmospheric conditions. Using a Gaussian dispersion model to simulate a brief plume, downwind concentration and dose is projected for tritium oxide. Releases are assumed to consist entirely of tritium oxide due to the increased dose impacts from the oxide form relative to the elemental form of tritium. We also briefly identify how climatological conditions could potentially be used to support risk profile determination.

54 ENVIRONMENTAL SCIENCES