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Evaluating Safeguards Statistical Assumptions via Stochastic Simulation

Herein, the authors built and tested a stochastic simulation to estimate achieved detection probabilities (DPs) on a stratum basis, over a tailorable range of diverted amounts from 0 to 2 SQ, using typical IAEA inspection data: i.e., SQ in stratum, number of items, number of gross/partial/bias defect measurements conducted, and realistic relative standard deviation (RSD) values for typical IAEA verification measurements. For bulk strata, the model calculates achieved DP at 0.01 SQ diversion increments; for item strata, the model calculates DP using the smallest realistic diversion increment (e.g., a plate, pin, or coupon). After successfully benchmarking against IAEA deterministic models, the simulation was used to test the sensitivity of DP to certain standard assumptions and selected input parameters. First, the equal defect assumption was tested; the results suggest significant complexity in the effectiveness of partial defect measurements. Next, the authors explored the sensitivity of DP to the assumed RSD of attribute tests. Then, the authors compared non-normal models for instrument performance (e.g., logistic, step, or arbitrary functions) to the typical results from a normal distribution (characterized by RSD). This last comparison was supplemented with experimentally derived performance data for an HM-5. The HM-5 was used to make enrichment measurements on both LEU and HEU MTR fuel elements as plates were removed, and the results fit with logistic and step curves and applied in the simulation. These stochastic DP results were compared to DP estimates from a deterministic model assuming a normal curve and typical RSD, yielding insights that could improve effectiveness in the field. These early results illustrate the potential of stochastic models to better understand achieved DP and to improve safeguards effectiveness.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Experimental Verification of An Electro-Hydraulic Actuation System Driven by An Integrated Electro-Hydraulic Unit

This paper proposes an electro-hydraulic actuator (EHA) system, and a novel-designed electro-hydraulic unit (EHU) consisting of a fixed-displacement hydraulic gear machine and a variable-speed electric machine. The novel EHU design integrates an electric machine and a hydraulic machine in a single housing, targeting optimal compactness, power density, and component reduction. The EHA system features an open circuit design, where hydraulic hoses connect the EHU with a tank, a valve manifold, and the hydraulic cylinder. In this way, the proposed EHA technology can be used to implement distributed hydraulic actuation in a vehicle without requiring changes to the hydraulic actuators or at the overall layout of the hydraulic components with respect to the original vehicle design. A dedicated test rig is developed to verify the performance of the proposed EHA system. Here, the efficiency of the EHA is measured in a steady state and under a realistic duty cycle of a commercial compact loader. The efficiency of the EHA system based on the measurements on the test rig can reach 54% with up to 20 kN load and 6 kW power level. Furthermore, the EHU is implemented on the reference machine to drive the boom function. Preliminary results on the performance of the EHU show an efficiency of up to 68% under different loading conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Exploring Explicit Uncertainty for Binary Analysis (EUBA)

Reverse engineering (RE) analysts struggle to address critical questions about the safety of binary code accurately and promptly, and their supporting program analysis tools are simply wrong sometimes. The analysis tools have to approximate in order to provide any information at all, but this means that they introduce uncertainty into their results. And those uncertainties chain from analysis to analysis. We hypothesize that exposing sources, impacts, and control of uncertainty to human binary analysts will allow the analysts to approach their hardest problems with high-powered analytic techniques that they know when to trust. Combining expertise in binary analysis algorithms, human cognition, uncertainty quantification, verification and validation, and visualization, we pursue research that should benefit binary software analysis efforts across the board. We find a strong analogy between RE and exploratory data analysis (EDA); we begin to characterize sources and types of uncertainty found in practice in RE (both in the process and in supporting analyses); we explore a domain-specific focus on uncertainty in pointer analysis, showing that more precise models do help analysts answer small information flow questions faster and more accurately; and we test a general population with domain-general sudoku problems, showing that adding "knobs" to an analysis does not significantly slow down performance. This document describes our explorations in uncertainty in binary analysis.

97 MATHEMATICS AND COMPUTING↗

HYSPLIT/MACCS Atmospheric Dispersion Model Technical Documentation and Benchmark Analysis

The nuclear accident consequence analysis code MACCS has traditionally modeled dispersion during downwind transport using a Gaussian plume segment model. MACCS is designed to estimate consequence measures such as air concentrations and ground depositions, radiological doses, and health and economic impacts on a statistical basis over the course of a year to produce annualaveraged output measures. The objective of this work is to supplement the Gaussian atmospheric transport and diffusion (ATD) model currently in MACCS with a new option using the HYSPLIT model. HYSPLIT/MACCS coupling has been implemented, with HYSPLIT as an alternative ATD option. The subsequent calculations in MACCS use the HYSPLIT-generated air concentration, and ground deposition values to calculate the same range of output quantities (dose, health effects, risks, etc.) that can be generated when using the MACCS Gaussian ATD model. Based on the results from the verification test cases, the implementation of the HYSPLIT/MACCS coupling is confirmed. This report contains technical details of the HYSPLIT/MACCS coupling and presents a benchmark analysis using the HYSPLIT/MACCS coupling system. The benchmark analysis, which involves running specific scenarios and sensitivity studies designed to examine how the results generated by the traditional MACCS Gaussian plume segment model compare to the new, higher fidelity HYSPLIT/MACCS modeling option, demonstrates the modeling results that can be obtained by using this new option. The comparisons provided herein can also help decision-makers evaluate the potential benefit of using results based on higher fidelity modeling with the additional computational burden needed to perform the calculations. Three sensitivity studies to investigate the potential impact of alternative modeling options, regarding 1) input meteorological data set, 2) method to estimate stability class, and 3) plume dispersion model for larger distances, on consequence results were also performed. The results of these analyses are provided and discussed in this report.

97 MATHEMATICS AND COMPUTING↗

The Release of the Simplified Radionuclide Transport (SRT) Code (V.2.1)

Reactor licensing centers on the protection of the public and environment from the inadvertent release of radioactive material. Therefore, mechanistic source term analysis, or the realistic evaluation of radionuclide transport from the source to the environment for specific transient scenarios, is vital to reactor licensing efforts. Developed to resolve a gap in mechanistic source term modeling capabilities for sodium fast reactors (SFRs), the Simplified Radionuclide Transport (SRT) code created by Argonne National Laboratory (Argonne) is now utilized by advanced reactor vendors, universities, and research institutions to support a multitude of design, licensing, and research efforts. Recently, SRT version 2.1 was released, which includes improvements to code models and verification and validation (V&V) suite to support the SRT user community. The following work provides an overview of the improvements made as part of the release of SRT version 2.1. This effort is supported by the U.S. Department of Energy Office of Nuclear Energy (DOE:NE) Advanced Reactor Technologies (ART) Fast Reactor Program (FRP), as part of the program’s support of national laboratory design and safety analysis computer codes utilized by the fast reactor industry. The expansion of SRT code capabilities and improvements to code V&V associated with version 2.1 are in response to user requests and lessons learned from recent source term analyses performed by Argonne and advanced reactor vendors. They also align with the evolving role of SRT, from research and development tool to software utilized for reactor licensing calculations. The report is structured in alignment with the code improvements, as outlined in Figure 1-1. Section 2 provides background information on SRT, including its history, capabilities, and utilization. Section 3 details new code capabilities as part of version 2.1, while Section 4 focuses on the expansion of the code’s V&V suite. Lastly, Section 5 provides a summary and discussion of next steps.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impact of light output on the timing resolution of organic glass scintillator bars in a dual-ended readout configuration

The effectiveness of detector system modeling and validation depends on the quality of characterization performed on the system. For nuclear nonproliferation applications, which require detectors to address complex and variable field conditions, access to accurate system models is essential. This study presents the timing characterization of organic glass scintillator bars used in an imaging system developed at the University of Michigan. 137 Cs and 60 Co gamma-ray sources were used to determine the coincidence time resolution as a function of measured light output for two Compton scatter events between two organic glass scintillator bars. Timing resolution for two events, each with light output ranging from 100 to 1100 keVee were characterized. The resulting data were fit to a parametric function that was validated to agree with experimental results within ±25 ps. Simulations were performed to establish appropriate calibration points for each organic scintillator, thereby ensuring accurate calibration of light output values during analysis. This work successfully characterized the light output dependence of the coincidence timing resolution of a pair of organic glass detectors for use in an imaging system. Depending on the amount of scintillation light output from the events, the full width at half maximum of the measured coincidence time resolution ranged from 653.2 ± 16.1 ps for low light yields, 100 keVee, to 121.0 ± 8.4 ps for higher yields at 1100 keVee. The insights obtained from the timing resolution behavior will allow for accurate simulation capabilities in future security and verification efforts using scatter-based imaging systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An efficient second-order adaptive procedure for inserting CAD geometries into hexahedral meshes using volume fractions

Here, this paper is concerned with inserting three-dimensional computer-aided design (CAD) geometries into meshes composed of hexahedral elements using a volume fraction representation. An adaptive procedure for doing so is presented. The procedure consists of two steps. The first step performs spatial acceleration using a k-d tree. The second step involves subdividing individual hexahedra in an adaptive mesh refinement (AMR)-like fashion and approximating the CAD geometry linearly (as a plane) at the finest subdivision. The procedure requires only two geometric queries from a CAD kernel: determining whether or not a queried spatial coordinate is inside or outside the CAD geometry and determining the closest point on the CAD geometry’s surface from a given spatial coordinate. We prove that the procedure is second-order accurate for sufficiently smooth geometries and sufficiently refined background meshes. We demonstrate the expected order of accuracy is achieved with several verification tests and illustrate the procedure’s effectiveness for several exemplar CAD geometries.

Adaptive↗

Inferring fracture dilation and shear slip from surface deformation utilising trained surrogate models

An important task in energy and CO 2 storage (sequestration) in the subsurface is to verify that the surrounding fractures and faults are not activated, acting as leakage pathways. This is achievable through effective and efficient Measurement, Monitoring and Verification (MMV) plans. In this work, two surrogate models are trained to captures dilation (opening) and shear deformation of fractures, and the associated surface deformation. The trained surrogate model, based on conditional Generative-Adversarial Networks (cGAN) receives fracture apertures from dilational fractures together with fracture slips from shear fractures and predicts the combined surface deformation. An inversion algorithm based on Bayesian framework is proposed to identify the geometry of both types of fractures, as well as volume of dilational fractures and deformation moment induced by shear fractures, all from the measured surface deformation data. The inversion algorithm utilises the Differential Evolution (DE) optimisation technique that has the superior performance in finding the global minimum of cost function. The proposed surrogate-assisted inversion successfully inferred the unknown dip, dip direction and the volume of the dilational fractures as well as the induced deformation moment in shear fractures. The model was further tested for the inversion of a field hydraulic fracturing tilt dataset applying different scenarios with varying unknowns to show the model's performance, as well as incorporating shear deformation for better match with the observed data.

Dilation and shear↗

ACTIVE

The Automated Control Testbed for Integration, Verification, and Emulation (ACTIVE) framework is a software platform designed to support the optimized operation and management of a wide range of building types. It enables the development, testing, and validation of diverse control strategies, including AI-based, rule-based, and model-based approaches. The platform facilitates a seamless transition from simulation-based evaluation of control strategies to real-world field validation and deployment. ACTIVE supports the full building management lifecycle, encompassing data acquisition and management, system monitoring, optimized control, adaptive learning services, device dispatch and coordination, as well as advanced analytics and visualization. Together, these capabilities provide an integrated environment for improving building performance, operational efficiency, reducing energy cost, and reliability.

Smith, Robert [Oak Ridge National Laboratory (ORNL↗

Using Verified Lifting to Optimize Legacy Stencil Codes (Final Project Report)

This project investigated new techniques for compiling stencil and stencil-like computations. Stencils computations are commonly found in applications such as image processing, physical simulations, image processing, and machine learning. In recent years, many high-performance domain-specific languages (DSLs) have been proposed to optimize stencil computations. To leverage such DSLs, however, existing codes often need to be rewritten. Such rewriting is manual, labor intensive, and error-prone. To alleviate such issues, this project investigated the application of program synthesis and artificial learning techniques to enable stencil computations to automatically leverage new high-performance DSLs. Rather than constructing syntax driven rules, verified lifting uses program synthesis to search for a target code fragment to compile the given input code into. In addition, it also searches for a proof that validates how the found target code fragment preserves the semantics of the original input. Thus, the target code fragment is guaranteed to be semantically equivalent to the input.

97 MATHEMATICS AND COMPUTING↗

MCNP ® Code V.6.3.0 Release Notes

The Monte Carlo N-Particle ® (MCNP ® ) code is a general-purpose, continuous-energy, generalized geometry, time-dependent, radiation transport code developed by the MCNP development team. The MCNP calculations provide predictive capabilities that can replace expensive or impossible-to perform experiments. Specific application problems include simulations of experimental diagnostics, intrinsic radiation, radiation detection and measurement, criticality safety, nuclear threat reduction and response, radiation health protection, nuclear weapons effects, and nuclear forensics. This MCNP code, version 6.3.0, follows the MCNP6.2.0 version. Since the release of MCNP6.2.0, many changes have been made to the MCNP code. These changes include new or improved features, a new build system, code enhancement and modernization, and bug fixes. The MCNP code, version 6.3.0, theory and user input information is documented in MCNP ® Code Version 6.3.0 Theory & User Manual, the build guidance for various platforms is documented in MCNP ® Code Version 6.3.0 Build Guide, and the verification and validation testing for various application benchmark test suites is documented in MCNP ® Code Version 6.3.0 Verification & Validation Testing.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Revisiting Theoretical Limits for One-Degree-of-Freedom Wave Energy Converters: Preprint

This work revisits the theoretical limits of one-degree of freedom wave energy converters (WECs). This paper considers the floating sphere used in the Ocean Energy Systems (OES) Task 10 Wave Energy Converter modeling and verification effort for analysis. Analytical equations are derived to determine bounds on the motion amplitude, time-averaged power, and power take-off (PTO) force. A unique result was found that shows the time-averaged power absorbed by a WEC can be defined solely by the inertial properties and the radiation hydrodynamic coefficients. In addition, a unique expression for the PTO force amplitude was derived which has provided upper and lower bounds when resistive control is used to maximize power generation. For complex conjugate control, this same expression can only provide a lower bound as there is theoretically no upper bound. These bounds are used to compare the performance of a floating sphere if it were to extract energy using surge or heave motion. The analysis shows that because of the differences in hydrodynamic coefficients of each oscillating mode there will be different frequency ranges that provide better power capture efficiency. The influence of a motion constraint on power absorption while also utilizing a nonideal power take-off is examined and found to reduce the losses associated with bidirectional energy flow. The expression to calculate the time-averaged power with a nonideal PTO is modified by the mechanical-to-electrical efficiency and the ratio of the PTO spring and damping coefficients. These were separated in the expression which allows for limits to be set on the possible values of PTO coefficients to ensure a net flow of power to the grid.

50 EE - Wind and Water Power Program - Water (EE-4↗

Simulating Thermoelectric Devices Using the MOOSE Framework

Thermoelectric generators (TEG) are devices that generate energy by converting heat into electricity or provide cooling via the Peltier effect. This feature of thermoelectric devices originates from the Seebeck, Peltier, Thomson, and Joule heating effects. TEGs can be applied in energy and thermal management systems such as waste heat recovery and refrigeration, respectively. Thermoelectric device design is influenced by the material selection and the device's geometry operating conditions. Therefore, predicting, verifying, and validating thermoelectric device performance using simulations tools is essential to deploying thermoelectric devices in industry. The Multiphysics Object-Oriented Simulation Environment (MOOSE) Framework is an open-source simulation tool capable of modeling simple to complex systems. In this work, we demonstrate MOOSE's thermoelectric device modeling capabilities by simulating a unicouple, module, and exhaust gas recovery system. The Seebeck, Peltier, Thomson, and Joule heating physics are implemented into MOOSE. The MOOSE thermoelectric physics were thoroughly verified and validated using published COMSOL® results and experimental data. In addition, thermoelectric modules were integrated into an exhaust gas recovery system using the MOOSE MultiApp function as a demonstration of the model's ability. The verification and validation results and exhaust gas heat recovery system showcases MOOSE's capability to model thermoelectric devices and integrate these devices into practical energy systems.

42 - ENGINEERING↗

Revisiting Theoretical Limits for One-Degree-of-Freedom Wave Energy Converters

This work revisits the theoretical limits of one-degree-of-freedom wave energy converters. This paper considers the floating sphere used in the Ocean Energy Systems Task 10 Wave Energy Converter modeling and verification effort for analysis. Analytical equations are derived to determine bounds on the motion amplitude, time-averaged power, and power-take-off (PTO) force. A unique result was found that shows the time-averaged power absorbed by a wave energy converter can be defined solely by the inertial properties and radiation hydrodynamic coefficients. In addition, a unique expression for the PTO force amplitude was derived that has provided upper and lower bounds when resistive control is used to maximize power generation. For complex conjugate control, this same expression can only provide a lower bound, as there is theoretically no upper bound. These bounds are used to compare the performance of a floating sphere if it were to extract energy using surge or heave motion. The analysis shows that because of the differences in hydrodynamic coefficients of each oscillating mode, there will be different frequency ranges that provide better power capture efficiency. The influence of a motion constraint on power absorption while also utilizing a nonideal power take-off is examined and found to reduce the losses associated with bidirectional energy flow. The expression to calculate the time-averaged power with a nonideal PTO is modified by the mechanical-to-electrical efficiency and the ratio of the PTO spring and damping coefficients. The PTO spring and damping coefficients were separated in the expression, which allows for limits to be set on the possible values of PTO coefficients to ensure a net flow of power to the grid.

50 EE - Wind and Water Power Program - Water (EE-4↗

Microwave-Assisted Reactive CO 2 Capture with the SrCO 3 -Graphite System

This study details the initial development of a microwave heat-driven reactive CO 2 capture (RCC) process using the SrO/SrCO 3 cycle and graphitic carbon to absorb ppm-levels of CO 2 from humidified room temperature air and selectively convert it into CO. By combining first-principles density functional theory (DFT) simulations with thermogravimetric analysis (TGA) and X-ray diffraction (XRD) verification, it is demonstrated that SrO spontaneously absorbs moisture to generate Sr(OH) 2 followed by Sr(OH) 2 *1H 2 O, which then can spontaneously react with atmospheric levels of CO 2 to form SrCO 3 . The resulting SrCO 3 can then react with solid carbon at elevated temperatures to selectively produce CO and regenerate SrO. Graphitic carbon is an excellent microwave absorber that can quickly generate temperatures approaching 1000 °C and then cool to room temperature within minutes, potentially allowing for integration with intermittent electricity. It is shown that using microwaves to selectively heat a mixture of graphitic carbon and SrCO 3 produced CO with 85 ± 3% selectivity and stable performance over ten cycles. The rapid heating for release and room temperature CO 2 uptake processes appeared to prevent performance loss from particle sintering typically observed with traditional thermal systems. In conclusion, these results demonstrate a new RCC approach that adds to the growing number of potential technologies available for converting CO 2 to useful chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fission Product Transport in TRISO Particles and Pebbles

This document demonstrates completion of the goals described in the technical narrative of the FOA project titled: ”Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing” regarding fission product transport in the Kairos-proposed fuel pebble by INL and Kairos Power. Showcased in this report are code developments and simulations in BISON that extend the state of the art in computation and understanding of fission product transport in a TRISO fuel particle and pebble. These enhancements lay the foundation for making predictions of fission product transport that can be used as input in the fuel licensing process. This was achieved by installing existing fuel material models originally used in PARFUME, developing a new failure probability method that is efficient and multi-dimensional, employing material homogenization, and expanding verification and validation simulations to demonstrate the efficacy of the work. All this work is leveraged to spotlight the main deliverable; a three-dimensional model and corresponding demonstration simulation of a pebble, which will serve as the starting point for models used to predict fission product release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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↗

Systematic Benchmarking of Climate Models: Methodologies, Applications, and New Directions

As climate models become increasingly complex, there is a growing need to comprehensively and systematically assess model performance with respect to observations. Given the increasing number and diversity of climate model simulations in use, the community has moved beyond simple model intercomparison and toward developing methods capable of benchmarking a large number of simulations against a suite of climate metrics. Here, we present a detailed review of evaluation and benchmarking methods and approaches developed in the last decade, focusing primarily on scientific implications for Coupled Model Intercomparison Project (CMIP) simulations and CMIP6 results that contributed to the Intergovernmental Panel on Climate Change (IPCC) Sixth Assessment Report (AR6). Based on this review, we explain the resulting contemporary philosophy of model benchmarking, and provide clear distinctions and definitions of the terms model verification, process validation, evaluation, and benchmarking. While significant progress has been made in model development based on systematic evaluation and benchmarking efforts, some climate system biases still remain. The development of open‐source community software packages has played a fundamental role in identifying areas of significant model improvement and bias reduction. We review the key features of several software packages that have been commonly used over the past decade to evaluate and benchmark global and regional climate models. Additionally, we discuss best practices for the selection of evaluation and benchmarking metrics and for interpreting the obtained results, the importance of selecting suitable sources of reference data and accurate uncertainty quantification.

Environmental sciences↗