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DOE OSTI2023

Simulations of Water Flow in Relation to a Steady Criticality in an Unsaturated Alluvial Repository

Oak Ridge National Laboratory (ORNL) is examining the conditions under which a criticality event could be ruled out for large packages placed in an unsaturated alluvial repository. This work specifically examines the water level in a stylized waste package that is assumed (1) to fail on the top, and (2) to empty as water is driven away—not by boiling—but by fluid flow phenomena driven by thermal gradients. This analysis uses the PFLOTRAN code package. Specifically, this year’s work includes examination of the heat rate at which water is driven away for various percolation rates using the same assumptions listed in the 2022 annual report. The STANDARDS (formerly UNF-ST&DARDS) package has predicted dual-purpose canister (DPC) neutron multiplication factors (k-effectives) ranging above 1.1 (unitless) with failed components. The DPC designs were not created with the intent to use for disposal purposes. Emplacing such packages may be worth consideration if it can be shown that criticality is either extremely unlikely or of very low consequence to the repository’s safety case. This work aims to help establish hydrologic boundary conditions for a highly hypothetical, highly stylized subsurface criticality event. The approach to critical is assumed to be slow, producing steady heating rates under a few kilowatts. For a DPC containing capillary media, the simulated power required for dry-out was proportional to the percolation rate but was unaffected by the size of a large breech on top of the DPC. Results for single cases with no capillary media in the DPC suggest that higher infiltration rates may be required in those cases to cause flooding. Bounding mechanisms and assumptions must be identified and characterized further by performing additional perturbations to various input parameters to demonstrate robustness of the results. This might be accomplished by examining responses to power pulses to determine the system transfer function required to enable a reduced order feedback model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Flexible machine-learning interatomic potential for simulating structural disordering behavior of Li 7 La 3 Zr 2 O 12 solid electrolytes

Batteries based on solid-state electrolytes, including Li 7 La 3 Zr 2 O 12 (LLZO), promise improved safety and increased energy density; however, atomic disorder at grain boundaries and phase boundaries can severely deteriorate their performance. Machine-learning (ML) interatomic potentials offer a uniquely compelling solution for simulating chemical processes, rare events, and phase transitions associated with these complex interfaces by mixing high scalability with quantum-level accuracy, provided that they can be trained to properly address atomic disorder. To this end, we report the construction and validation of an ML potential that is specifically designed to simulate crystalline, disordered, and amorphous LLZO systems across a wide range of conditions. The ML model is based on a neural network algorithm and is trained using ab initio data. Performance tests prove that the developed ML potential can predict accurate structural and vibrational characteristics, elastic properties, and Li diffusivity of LLZO comparable to ab initio simulations. As a demonstration of its applicability to larger systems, we show that the potential can correctly capture grain boundary effects on diffusivity, as well as the thermal transition behavior of LLZO. Here these examples show that the ML potential enables simulations of transitions between well-defined and disordered structures with quantum-level accuracy at speeds thousands of times faster than ab initio methods.

25 ENERGY STORAGE↗

DOE OSTI2025

Reinforcement Learning-Based Oscillation Dampening: Scaling Up Single-Agent Reinforcement Learning Algorithms to a 100-Autonomous-Vehicle Highway Field Operational Test

In this article, we explore the technical details of the reinforcement learning (RL) algorithms that were deployed in the largest field test of automated vehicles designed to smooth traffic flow in history as of 2023, uncovering the challenges and breakthroughs that come with developing RL controllers for automated vehicles. We delve into the fundamental concepts behind RL algorithms and their application in the context of self-driving cars, discussing the developmental process from simulation to deployment in detail, from designing simulators to reward function shaping. We present the results in both simulation and deployment, discussing the flow-smoothing benefits of the RL controller. From understanding the basics of Markov decision processes to exploring advanced techniques such as deep RL, our article offers a comprehensive overview and deep dive of the theoretical foundations and practical implementations driving this rapidly evolving field. We also showcase real-world case studies and alternative research projects that highlight the impact of RL controllers in revolutionizing autonomous driving. From tackling complex urban environments to dealing with unpredictable traffic scenarios, these intelligent controllers are pushing the boundaries of what automated vehicles can achieve. Furthermore, we examine the safety considerations and hardware-focused technical details surrounding deployment of RL controllers into automated vehicles. As these algorithms learn and evolve through interactions with the environment, ensuring their behavior aligns with safety standards becomes crucial. Here, we explore the methodologies and frameworks being developed to address these challenges, emphasizing the importance of building reliable control systems for automated vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

"Reinforcement Learning Based Oscillation Dampening: Scaling up Single-Agent RL algorithms to a 100 AV highway field operational test"

In this article, we explore the technical details of the reinforcement learning (RL) algorithms that were deployed in the largest field test of automated vehicles designed to smooth traffic flow in history as of 2023, uncovering the challenges and breakthroughs that come with developing RL controllers for automated vehicles. We delve into the fundamental concepts behind RL algorithms and their application in the context of self-driving cars, discussing the developmental process from simulation to deployment in detail, from designing simulators to reward function shaping. We present the results in both simulation and deployment, discussing the flow-smoothing benefits of the RL controller. From understanding the basics of Markov decision processes to exploring advanced techniques such as deep RL, our article offers a comprehensive overview and deep dive of the theoretical foundations and practical implementations driving this rapidly evolving field. We also showcase real-world case studies and alternative research projects that highlight the impact of RL controllers in revolutionizing autonomous driving. From tackling complex urban environments to dealing with unpredictable traffic scenarios, these intelligent controllers are pushing the boundaries of what automated vehicles can achieve. Furthermore, we examine the safety considerations and hardware-focused technical details surrounding deployment of RL controllers into automated vehicles. As these algorithms learn and evolve through interactions with the environment, ensuring their behavior aligns with safety standards becomes crucial. We explore the methodologies and frameworks being developed to address these challenges, emphasizing the importance of building reliable control systems for automated vehicles.

Jang, Kathy↗

DOE OSTI2022

Differentiable Predictive Control with Safety Guarantees: A Control Barrier Function Approach

In this paper, we develop a novel form of differentiable predictive control (DPC) with safety and robustness guarantees. DPC is a form of approximate model predictive control (MPC), wherein the control policy is a neural network that learns a receding horizon, optimal control law. The proposed approach exploits a new form of sampled-data barrier function to enforce safety, while only interrupting the neural network-based controller near the boundary of the safe set. The effectiveness of the proposed approach is demonstrated in simulation.

Shaw Cortez, Wenceslao E.↗

DOE OSTI2023

Passive Safety System Reliability Analysis: Methodology, Application, and Results

Many advanced reactor designs rely on passive systems to provide assurance that certain safety functions, such as reactivity control and reactor heat removal, are maintained during transient scenarios. The performance of these systems is sensitive to boundary and environmental conditions and can lead to functional failure, which is the inability of the system to perform as intended even without any physical failures. Additionally, conditions can cause the passive systems to operate in an intermediate or degraded state. These operational modes of passive systems and their overall reliability can be difficult to capture in traditional probabilistic frameworks where discrete operating modes are assumed or time-dependent boundary conditions are not accounted for. Novel strategies and methods are needed to be able to capture the reliability of these passive systems and their impact on facility safety. The current abstract provides a summary of such a methodology and examples of its use in a case study, the GE Hitachi (GEH) PRISM probabilistic safety assessment (PSA), and the U.S. Department of Energy (USDOE) Versatile Test Reactor (VTR) PSA.

Bucknor, M.↗

DOE OSTI2020

Electron Microscopic Examination of an Irradiated TRISO Coated Particle of AGR-2 Experiment: AGR2-222-RS019

The transmission electron microscopic (TEM) examination of an irradiated tristructural isotropic (TRISO) coated particle from advanced gas reactor (AGR) 2 fuel Compact 2-2-2 is presented in this report. Compact 2-2-2 refers to the compact in Capsule 2 at Level 2 of Stack 2. The examination on AGR2 222 RS019 is focused on the interface between the silicon carbide (SiC) to inner pyrolytic carbon (IPyC) layer, central part of SiC, and the interface between SiC and outer pyrolytic carbon layer. The SiC grain boundary distribution and associated fission product precipitates were characterized by scanning transmission electron microscopy (STEM) energy dispersive spectroscopy (EDS), and precession electron diffraction (PED) in the transmission electron microscope. Two separate locations on SiC layer were selected for on the basis of the intact of the buffer layer in the irradiated TRISO particle. The key observation in this particle is that the compositional nature of grain boundary precipitates is more complex near IPyC/SiC layer where Pd, Pd-Ag, Pd-U containing precipitates can be observed. However, the compositions of precipitate towards outer most region of SiC mainly contain Pd. Ag has been observed in the IPyC/SiC layer in one of the two locations. Comparison of the results to previously irradiated and analyzed, Variant 3, safety tested AGR-1 TRISO particles (AGR1-433-001 and AGR1 222-RS004) showed the grain boundary distributions have some noticeable differences. The differences in coincident site lattice grain boundary and misorientation angles are possibly inherent to the fabrication process. Neutron irradiation induced void distribution has been found to be nonuniform. A high concentration of smaller voids is found at stacking faults compared to those in the SiC matrix. Larger void sizes are observed in the SiC location that is near to the broken buffer layer. This void size variation with integrity of buffer layer can potentially affect the fission product retention. However, the average void size continuously decreases along the radius of SiC in both locations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Safety Considerations for Advanced Material Irradiation at the Advanced Test Reactor

The Advanced Test Reactor (ATR) is a light water reactor with aluminum-clad driver fuel. A primary mission of the ATR is to support the next generation of nuclear reactors. This support necessarily requires irradiation of advanced materials such as sodium, fuel salts, and metal eutectics. Irradiation of advanced materials in the ATR environment presents a challenge when completing accident analyses and demonstrating compliance to the Safety Analysis Report (SAR). Many advanced materials have the possibility to react with the ATR protective barriers such as the cladding or primary coolant system (PCS) boundary during postulated accident scenarios. Further, molten fuel experiments fall outside of the standard regulatory framework for dose consequence analyses. ATR is currently developing new safety analysis methods to support irradiation of advanced materials. The primary considerations for this development are 1) experiment containment design requirements, 2) primary coolant system response to an experiment containment failure, and 3) dose analyses for molten fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Safety Considerations for Advanced Material Irradiation at the ATR

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Accelerated Degradation in a Quasi-Single-Crystalline Layered Oxide Cathode for Lithium-Ion Batteries Caused by Residual Grain Boundaries

The rapidly growing demand of electrical vehicle (EV) requires high-energy-density lithium-ion batteries (LIBs) with excellent cycling stability and safety performance. However, conventional polycrystalline high-Ni cathodes severely suffer from intrinsic chemo-mechanical degradation and fast capacity fade. The emerging single-crystallization strategy offers a promising pathway to improve the chemo-mechanical stability, however, the single-crystallinity of the cathode is not always guaranteed and residual grain boundaries (GBs) could persist in nonideal synthesis conditions, leading to the formation of ‘quasi’ single-crystalline (QSC) cathodes. So far, there is a lack of understanding of the influence of these residual GBs on the electrochemical performance and structural stability. Herein, we investigate the degradation pathway of a QSC high-Ni cathode through transmission electron microscopy and X-ray techniques. The residual GBs caused by insufficient calcination time, dramatically exacerbate the cathode’s chemo-mechanical instability and cycling performance. Our work offers important guidance for the next-generation cathodes for long-life LIBs.

25 ENERGY STORAGE↗

DOE OSTI2022

ANTARES: a new IRSN computational chain for safety analysis

Since some years, the IRSN has developed a new project to simulate accurately the interaction between neutronic and thermal hydraulic phenomena. This project called ANTARES (Advanced Neutronics and Thermal-hydraulic for the Analysis of Reactor Safety) couples the thermal hydraulic code CATHARE-3 with the 3D neutronic nodal code PARCS. The purpose of this project is to take the advantage of the complementary of these 2 codes, by the knowledge of the 3D core power distribution in CATHARE-3 (computed by PARCS) and improving the thermal hydraulic boundaries conditions in PARCS. In this way, the IRSN diversifies and enlarges its available tools to perform safety analysis with improved accuracy. The current technique usually adopted in France for the safety demonstrations for Reactivity Insertion Accident (RIA) is the so-called 'conservative' approach, which consists of reducing all the feedback (Doppler and moderator effects) and in modifying some physical quantities in such a way to increase a power peak. For this reason, these facilities ('penalties') have been implemented in ANTARES. In this paper we will give two examples of accidental transients that can be simulated with ANTARES: a Main Steam Line Break (MSLB) and an inadvertent boron dilution event. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Flow instabilities in helical-coil steam generators for small modular reactors: A review

Here, this study covers the research and discoveries in two-phase flow-boiling instabilities available in the literature—specifically for a helical-coil steam generator (HCSG), including experimental findings, theoretical research, computational models, and system code analyses—supporting research and development of representative small modular reactors (SMRs). Like other new and advanced reactor systems, water-cooled SMRs require experimental data from both integral and separate thermal-hydraulics test facilities for the verification and validation (V&V) of the computational models and computer codes in order to design and obtain regulatory approval. The complex dynamics of two-phase flow-boiling instabilities includes flow regimes physics phenomena, flow-channel geometries, heat-transfer behavior, and interactions among the solid–liquid-gas within the system boundary, all of which are pivotal for understanding the design and operational challenges of SMRs. This study focuses on identifying the relevant knowledge gaps on boiling instabilities—specifically for a HCSG—and provides insights about future research direction optimizing the transport of thermal energy, mass-flow rates, and boundary conditions that ensure the adequate heat-transfer performance, operational stability, and safety associated with SMR systems.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2023

Boundary Layer Height Variation over the Savannah River Site during a Heat Wave

With the number of heat waves expect to increase in both in their severity and frequency in the coming years, an insight into their impact on planetary boundary layer (PBL) heights is essential for one development of future emergency and safety plans. Using High-Resolution Rapid Refresh (HRRR) atmospheric model output, an analysis is done on the effects a heat wave has on PBL heights and temperature inversions across the Savannah River Site (SRS). This study showed that due to its adjacency to anthropogenic land use, SRS experiences a non-negligible gradient in its PBL height, with higher heights to the northwest. The singular location PBL heigh measurement and forecasts for SRS do not account for this gradient, which has potential implications on pollutant and smoke dispersion onsite. During a heat wave this gradient is present but PBL heights are less impacted than surrounding developed areas, possibly attributable to the woody wetlands that surround the Savannah River's banks. Additionally, the heat wave appears to strongly enhance the nocturnal temperature inversions that the site and surrounding areas experience. This is possibly due to increased stability from higher pressure conditions, which are often associated with heat waves. This influence on nocturnal inversions, however, is limited to their intensity, leaving their timing relatively unaltered. The impact a heat wave has on PBL heights and temperature inversions across SRS is seen to be more dependent on adjacent land use and features rather than the unique land use types onsite.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Low- n stability and plasma response to RMP in various STEP scenarios

The low-n (n is the toroidal mode number) magnetohydrodynamic (MHD) stability and plasma response are numerically investigated for various scenarios designed for STEP, that are relevant for the H-mode pedestal analysis. Control of the edge-localized modes (ELMs) with externally applied resonant magnetic perturbations (RMPs) is considered. Optimization of the ELM control coil current configuration, based on the computed plasma MHD response and well-established figures of merit validated on present-day experiments, finds reasonable robustness of a fixed coil phasing (for a given n-number) to control ELMs in all five STEP plasmas considered. Based on certain semi-empirical criteria, the required coil current to achieve ELM suppression is estimated to be about 10–20 kAt with the n = 1 or 2 RMP configuration and about 100–200 kAt for the n = 4 RMP. Systematic linear stability calculations are used to map out stability windows for the low-n kink-peeling modes, in terms of the ideal-wall location and variation of the edge safety factor q 95 with respect to the target design. The kink-peeling stability boundary is found to be generally sensitive to the q 95 variation, which has implications for achieving the quiescent H-mode regime in STEP. Full toroidal quasilinear initial-value simulations for these STEP plasmas find that generation of the edge-harmonic oscillations (EHOs) depends sensitively on the plasma scenario, the initial linear stability of the kink-peeling modes, the initial plasma toroidal flow and q 95 . In general, it is easier (more robust) to access the EHO-regime for two of the cases considered with smaller plasma volume and higher on-axis safety factor. Finally, quasilinear simulations find robust density pumpout due to applied RMPs in these STEP plasmas, but the effect on the plasma toroidal flow varies among different cases.

EHO↗

DOE OSTI2021

Modular High Temperature Gas-Cooled Reactor: Safety Design Approach

Deployment Objectives Flexibly co-locate with new industry users of nuclear energy Steam and electric cogeneration applications Direct process heat with temperature ranges from 700°C to 950°C Enabling Requirements Meet regulatory dose limits at the Exclusion Area Boundary (EAB) 25 rem Total Effective Dose Equivalent (TEDE) for duration of the release from 10 CFR 50.34 (10 CFR 52.79) at Exclusion Area Boundary (EAB) for design basis accidents EAB is estimated approximately 400 meters from the modular HTGR plant (to support co-location with industrial facilities) Meet safety goals for cumulative individual risk for normal and off-normal operation Design goal: meet EPA Protective Action Guides (PAGs) at EAB 1 rem TEDE for sheltering Design basis and beyond design basis events are considered Realistically evaluated at the EAB Emergency planning and protection

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Experimental analysis of gas dynamics in the reactor cavity section of a High-Temperature Gas-Cooled Reactor during an accident scenario

Here, this study investigates the behavior of a High-Temperature Gas-Cooled Reactor (HTGR) during a break of the helium pressure boundary event. Understanding the gas dynamics that occur during a break could help develop safety systems that reduce the probability of air entering the reactor core. To achieve this objective, experimental studies were conducted in a scaled-down HTGR experimental facility to provide information on the air-helium gas mixture within the confinement building and the impact of the ventilation system on the helium/air gas concentration following the depressurization event. The study evaluated different configurations, including active ventilation time scales, break sizes, and locations. The analysis of the active ventilation time revealed that a ventilation time of 22 seconds produced positive results, and smaller break sizes resulted in longer depressurization times, which improved the ventilation process. The orientation and elevation of the breaks had little effect on the oxygen concentration in the cavity but did impact the gas velocities.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Characterizing Thunderstorm Gust Fronts near Complex Terrain

Fire safety, aviation, wind energy, and structural-engineering operations are impacted by thunderstorm outflow boundaries or gust fronts (GFs) particularly when they occur in mountainous terrain. For example, during the 2013 Arizona Yarnell Hill Fire, 19 firefighters were killed as a result of sudden changes in fire behavior triggered by a passing GF. Knowledge of GF behavior in complex terrain also determines departure and landing operations at nearby airports, and GFs can induce exceptional structural loads on wind turbines. Furthermore, while most examinations of GF characteristics focus on well-organized convection in areas such as the Great Plains, here the investigation is broadened to explore GF characteristics that evolve near the complex terrain of the Colorado Rocky Mountains. Using in situ observations from meteorological towers, as well as data from wind-profiling lidars and a microwave radiometer, 24 GF events are assessed to quantify changes in wind, temperature, humidity, and turbulence in the lowest 300 m AGL as these GFs passed over the instruments. The changes in magnitude for all variables are on average weaker in the Colorado Front Range than those typically observed from organized, severe storms in flatter regions. Most events from this study experience an increase in wind speed from 1 to 8 m s -1 , relative humidity from 1% to 8%, and weak vertical motion from 0.3 to 3.6 m s -1 during GF passage while temperature drops by 0.2°–3°C and turbulent kinetic energy peaks at >4 m2 s -2 . Vertical profiles reveal that these changes vary little with height in the lowest 300 m.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

ECAR-7365 Rev 0 MARVEL Over Pressure Protection Report

This ECAR encompasses and documents compliance to the pressure safety requirements of the Microreactor Applications Research Validation and Evaluation (MARVEL) Reactor Primary Coolant Boundary (referred to herein as the Primary Coolant System, or PCS, which includes the outer boundary of the Central Insurance Absorber (CIA)) as a Class A system (equivalent to a Section III Division 1 Class 1 system) for high temperature reactors subjected to elevated temperature service.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗