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Novel Results Visualization for Dynamic PSA and New Modeling Features in EMRALD

The Event Modeling Risk Assessment Linked Diagram (EMRALD) tool, developed at the Idaho National Laboratory (INL), was designed to simplify the creation of dynamic models and support various research projects. One of the primary goals of EMRALD was to provide visual methods for modeling. EMRALD consists of two main components: a web-based user interface for model development and a solve engine for running model simulations. Over time, it has evolved to meet the diverse needs of its users. Initially, EMRALD's results were simple text outputs with final key state percentages and uncertainty bounds. However, because EMRALD utilizes a three-phase discrete event simulation and tracks the paths of each simulation run leading to a key state, there is significant potential to analyze large sets of path results data, including state paths, events, and timing. Visualizing this data meaningfully posed a challenge. To address this, a novel time-based Sankey diagram was developed. EMRALD exports results data in a format that can be opened in this Sankey viewer, allowing users to visualize paths, occurrences, events, and probability data for the entire simulation run in a single diagram. Moreover, when EMRALD was first created, there were limited tools capable of meeting its graphical requirements, many of which are no longer supported. In 2024, a new web-based interface was developed using modern graphing tools, enabling additional modeling features. This paper discusses the new dynamic PSA results visualization capability and the enhanced modeling tools available in EMRALD.

97 - MATHEMATICS AND COMPUTING

Modal dynamics of wind turbine wake meandering from lidar observations

Horizontal scans from nacelle-mounted lidars provide time series measurements of wind turbine wakes across diverse atmospheric conditions, enabling analysis of coherent turbulent structures that influence wake meandering through proper orthogonal decomposition (POD). While low-order modes capture the most energetic turbulent structures, our analysis reveals that they do not necessarily dominate wake meandering dynamics. We evaluate more than 16,000 combinatorial reconstructions of the flow field for each inflow case, demonstrating that mode relevance depends on mode symmetry, turbulent kinetic energy content, and inflow characteristics. Cases with low turbulence intensity and large integral timescales show stronger correlations between POD modes and wake meandering, whereas higher turbulence conditions (turbulence intensity > 7%) are less effectively described by reduced-order models. However, the qualitative similarity of POD modes across varied atmospheric conditions suggests the potential existence of a semi-universal basis for representing wind turbine wakes, with implications for improving engineering wake models.

17 WIND ENERGY

Feeding from the sun—Successes and prospects in bioengineering photosynthesis for food security

There is an urgent need for increased crop productivity to reduce food insecurity and improve sustainability. Photosynthesis converts sunlight energy into carbohydrates, providing the source of nearly all of humanity’s food. Photosynthesis is a key target for improvement, owing to inherent inefficiencies in the biochemical process. Over the last decade of advancements in bioengineering, strategies to increase the efficiency of photosynthesis were tested with proven enhancements to crop yields in field trials. Simple strategies like increasing the content of photosynthetic proteins have reliably increased photosynthesis and productivity in crops, as have more complex strategies such as bypassing photorespiration. While insertion of carbon-concentrating mechanisms into C3 plants remains an engineering challenge, modeling suggests that achieving that would have the greatest gain for crop improvement. This review discusses the many successes in improving photosynthesis achieved over the past decade and quantifies the potential for future engineering targets to increase crop productivity.

Long, Stephen P. [University of Illinois, Urbana,

Stochastic symplectic reduced-order modeling for model-form uncertainty quantification in molecular dynamics simulations in various statistical ensembles

Here, this work focuses on the representation of model-form uncertainties in molecular dynamics simulations in various statistical ensembles. In prior contributions, the modeling of such uncertainties was formalized and applied to quantify the impact of, and the error generated by, pair-potential selection in the microcanonical ensemble (NVE). In this work, we extend this formulation and present a linear-subspace reduced-order model for the canonical (NVT) and isobaric (NPT) ensembles. The symplectic reduced-order basis is randomized on the tangent space of the Stiefel manifold to provide topological relationships and capture model-form uncertainty. Using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), we assess the relevance of these stochastic reduced-order atomistic models on canonical problems involving a Lennard-Jones fluid and an argon crystal melt.

42 ENGINEERING

BlueCRAB Domain Overlapping Coupling: Theory & Verification

Coupling low- and high-fidelity codes is a useful way to model complex engineering systems. Thanks to the high-fidelity code, complex phenomena can be resolved in areas of the system where this is required, yet the efficiency of the lower-fidelity code is still retained in modeling the rest of the system. This document details the theory and implementation of coupling two different thermal-hydraulic codes: the system thermal-hydraulics (STH) code System Analysis Module (SAM) and the coarse-mesh computational fluid dynamics (CFD) code Pronghorn. Both applications are included in the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite and are based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. The domain overlapping (DO) coupling approach was adopted, as it offers proven advantages over more conventional domain decomposition methods. In the DO coupling, SAM provides Pronghorn with boundary conditions that depend on the system-level simulation of the entire plant. In return, the overlapping coupled SAM components–termed “surrogate components”–receive friction factors and source terms computed online based on the Pronghorn simulation. The framework is designed to be generic and enable coupling regardless of geometry and the number of inlet/outlet boundaries in the DO coupled domain. The developed method leads to consistent pressure drops, enthalpies, and scalar concentrations when comparing the coupled SAM and Pronghorn simulations. This document presents the DO coupling approach, along with two verification and two demonstration cases. The proposed problems explore different physical aspects relevant to nuclear reactor analysis, including buoyancy-driven flows, complex flow patterns, and multiple inlets and outlets. Periodically, new versions of this “BlueCRAB Domain Overlapping Coupling: Theory & Verification” report will be issued to reflect future developments and verification tests.

22 - GENERAL STUDIES OF NUCLEAR REACTORS

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE

Gaussian FLOWERS: Wind-rose-based analytical integration of Gaussian wake model for extremely fast AEP estimation

A major cost in the study of wind farm layout optimization is the repeated evaluation of the annual energy production (AEP). The current approach to estimating AEP requires a large set of flow simulations to be performed that cover each discrete wind speed and direction combination contained within the wind rose, followed by a probability-weighted sum of the power production resulting from each simulation. Even with inexpensive engineering wake models, this numerical integration scheme can lead to high computational costs. In this paper, we derive an analytical formulation for estimating farm AEP across every wind direction, based on a Gaussian wake velocity model, which reduces the number of wind farm simulations to a single function evaluation. As a result, we find that the Gaussian-FLOWERS approach reduces the time for AEP calculations by more than two orders of magnitude with a small trade-off in accuracy when compared to a conventional approach. This massive reduction in computation cost is useful to reduce overall costs in wind farm layout optimization studies.

17 WIND ENERGY

Graph network heterogeneity predicts interplant wake losses

Wind plants generate large-scale wakes, which can affect the performance of neighboring installations. Such wakes are challenging to estimate due to the inherent complexity in modeling wake interactions between large quantities of turbines at various distances. Weighted directed graph networks can inform complex models by linking turbine pairs into chains of upstream and downstream neighbors for a given wind direction. A novel interpretation of the graph network adjacency matrix is proposed where each element of the matrix represents the cumulative impact of upstream turbines on an individual. In this study, wake losses were estimated with an engineering wake model across a range of inflow conditions for nine parametric variations of a system containing two neighboring wind plants. The parametric nature of the study isolates turbine spacing within the plant, separation distance between plants, and wind direction as the main drivers of wake losses. Spatial heterogeneity is computed from the weighted average adjacency matrix of each plant arrangement. The proposed method is orders of magnitude faster than wake modeling and does not require detailed turbine information or atmospheric conditions. Furthermore, the weighted average adjacency matrix provides insight on the spatial organization of wake losses at various scales. Plant heterogeneity is correlated with wake losses within and among plants. Framing wind plant wake interaction in terms of graph network spatial heterogeneity provides an efficient approach for predicting wake losses within and among neighboring wind plants with applications to other complex systems where wake interactions are key factor.

17 WIND ENERGY

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

The DOE 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. This report summarizes recent advances in developing an integrated system- and engineering-scale modeling capability for the msr concept, which has gained significant interest in recent years. A consistent framework was established by coupling Pronghorn and SAM through the Saline interface, with thermophysical properties provided by the Molten Salt Thermal Property Database (MSTDB-TP). Further improvements were made to the coupling schemes and domain-overlapping strategies, enhancing the stability and robustness of multi-code simulations. Verification and validation efforts demonstrate the accuracy of this integration across a range of benchmark problems, including one-dimensional heated pipe flows, three-dimensional natural convection loops with evolving isotopic compositions, and \gls{msre} demonstration cases. Within Pronghorn, new capabilities were introduced to model corrosion and noble-metal plating phenomena, supported by an extended thermal-hydraulics framework and refined turbulence treatments. To capture two-phase flow behavior, a multiphase Euler–Euler model was implemented in Pronghorn, including advanced closure relations, high-resolution advection techniques, and capillary force reconstruction. Preliminary verification cases confirm the fidelity of the approach, while planned validation efforts target canonical multiphase benchmarks and application to msr components such as the msre pump bowl. Finally, updates to SAM’s msr mass transfer modeling were extended to consider noble gas migration into porous structures like graphite. The point kinetics model was updated to include reactivity feedback contributions from any defined species, such as xenon. The gas transport model was expanded for applicability to gas mixtures, bubble efflux phenomena, and species transport between liquid and gas phases. A selection of multi-scale Sherwood number correlations from MOSCATO/NekRS and multi-phase correlations from literature have been added for improved accuracy in calculating mass transfer coefficients. A companion effort on developing system-level redox corrosion has also been incorporated into SAM. Collectively, these enhancements strengthen the predictive capability of SAM and Pronghorn for simulating MSR thermal-hydraulics, corrosion, multiphase behavior, and fission-product transport, providing a more complete toolset for design, safety analysis, and licensing support of next-generation \gls{msr}s.

42 - ENGINEERING

System Engineers and Decisions: It?s All about Knowledge

In order to guarantee that a system meets adequate levels of reliability and availability, system performances are continuously monitored and analyzed thanks to the technological advancements driving the Industry 4.0 revolution. An Industry 4.0 approach is typically based on advanced statistical, big data mining, machine learning, and internet-of-things methods designed to detect anomalies in the behavior of system, detect the most likely failure modes, and provide indications to system engineers on when maintenance activities should be performed before system performance are deemed unacceptable (which can be generated by diagnostic and prognostic methods). However, these analyses, which are designed to automatize and increase the efficacy of the system maintenance program, require large amount of data which can come in various forms: numeric, textual, images, sounds etc. Such data constitutes the historic knowledge benchmark to track system performances and support system engineer decisions. Here we claim that data is not sufficient to support this kind of analyses when applied to systems characterized by complex architectures and behaviors. Robust system engineer decisions require the ability to understand the system operational context that lies behind the observed data elements. In this respect, system models are in fact necessary to “put data in context” and capture relationships between data elements. Industry 4.0 methods require in fact contextual knowledge as a basis upon which hypotheses can be generated and assumptions tested. In our view, for complex systems, model-based system engineering (MBSE) models can afford this contextual knowledge, as they are typically used to describe systems architecture and dynamic behaviors. System knowledge is here intended as the blending of collected data and system architecture which takes the form of a “knowledge graph”. A knowledge graph is a database which consists of a large set of nodes (in our case an entity can be either a data or an MBSE element) which are linked to each other. The types of nodes and links follow a pre-defined topology, sometimes also refers as an ontology, that is designed to fit the actual decisions that needs to be performed. We show here how a knowledge graph can be defined to support system engineer maintenance decisions and how the same graph can be built based on system MBSE models and pre-processed data from numeric (through anomaly detections and diagnostic methods) and textual elements (through technical language processing TLP).

97 - MATHEMATICS AND COMPUTING

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

Real-Twin

Real-Twin is a unified, model-agnostic scenario generation tool designed to streamline and standardize the evaluation of emerging mobility technologies. It provides an end-to-end framework that includes robust workflows, integrated tools, and comprehensive metrics to generate, calibrate, and benchmark microscopic traffic simulation scenarios across multiple platforms. Key Features of Real-Twin include: - Unified Scenario Generation: generate transferable, simulation-ready scenarios from heterogeneous data sources using a consistent workflow. - Automated Calibration Workflow: bridges simulation and real-world data, minimizing manual effort and making traffic simulation more accessible to researchers and engineers. - Model-Agnostic Compatibility: supports SUMO, VISSIM, and AIMSUN for cross-platform scenario generation and benchmarking. Enables reliable comparisons and reproducibility across different simulation tools. - Consistent Scenarios across Different Simulators: generate comparable simulation scenarios across different microscopic traffic simulators, providing users the ability to conduct benchmarking and cross-validation that are crucial for ensuring the reliability and reproducibility of simulation results. - Emerging Technology Support: includes a scenario database and pipeline for studying autonomous vehicles (AVs), with planned extensions to CAVs, EVs, and other advanced technologies.

Wang, Chieh (Ross) [Oak Ridge National Laboratory

Detailed simulations of the first deuterium-tritium-filled double shell implosions on the National Ignition Facility

The first indirectly driven, liquid DT-filled double shell inertial confinement fusion (ICF) implosions have recently been successfully performed on the National Ignition Facility (NIF). Double shells are a class of alternative designs that use a low-Z outer shell to compress a foam cushion that accelerates a high-Z inner shell to efficiently compress a liquid DT core. Double shells are challenging to fabricate, field, and model. Important engineering features enabling double shell fabrication include a fill-tube penetrating all shells and a carefully designed and very narrow (few μm) step-joint in the ablator. Due to the higher density materials involved, high Atwood number instabilities are also important at many material interfaces. In this paper, numerical simulations of double shell implosions using the Los Alamos National Laboratory multi-physics radiation-hydrodynamics code xRAGE will be discussed. An extensive effort has been under way for several years to develop the code capabilities for ICF simulations in a common modeling framework to allow ease of simulation setup and standardization of the computational methodology. This paper will present a wide range of simulation results capturing, quantifying, and comparing the impact of all these degradation mechanisms on implosion performance. Brief comparisons with recent experimental results and suggestions for future improvements will also be discussed. Our results suggest that capsule surface roughness and the step-joint gap have the largest impact on implosion performance. Initial experimental data may suggest that the sensitivity to the step-joint gap could provide the dominant explanation for DT-filled double shell experiments that have been fielded on NIF thus far.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Alternatives to MARVEL Power Conversion – Comparison of Stirling Engine Thermal Efficiency and Design to other Power Conversion Cycles

The Microreactor Applications, Research, Validation, and Evaluation (MARVEL) Reactor is a small liquid-metal thermal reactor that will be built at the Idaho National Laboratory to demonstrate design and operating processes for microreactors, microgrid integration, and process heat applications. Power conversion in the MARVEL design is provided by Stirling engines, which have disadvantages in nuclear environments. Compared to Stirling engine performance, some alternative power cycles can increase power production when coupled to a liquid-metal thermal reactor In this paper, the thermal efficiency of MARVEL’s power production with Stirling engines is compared to the thermal efficiency of power production with MARVEL and alternative power cycles. Those cycles include a superheated Rankine cycle, open and closed Brayton cycles, and a supercritical carbon dioxide cycle. All cycles (except the Stirling engines) were modeled with an intermediate helium loop to meet MARVEL’s principal design criteria. All models are simple designs with conservative assumptions for consistent comparison. Detailed optimization will depend largely on reactor location and application, and the relative merit of each cycle is discussed for different environmental conditions. The study informs significant early decisions on power cycle design and economic

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Systems-Level Modeling for CRISPR-Based Metabolic Engineering

The CRISPR-Cas system has enabled the development of sophisticated, multigene metabolic engineering programs through the use of guide RNA-directed activation or repression of target genes. To optimize biosynthetic pathways in microbial systems, we need improved models to inform design and implementation of transcriptional programs. Recent progress has resulted in new modeling approaches for identifying gene targets and predicting the efficacy of guide RNA targeting. Genome-scale and flux balance models have successfully been applied to identify targets for improving biosynthetic production yields using combinatorial CRISPR-interference (CRISPRi) programs. Here, the advent of new approaches for tunable and dynamic CRISPR activation (CRISPRa) promises to further advance these engineering capabilities. Once appropriate targets are identified, guide RNA prediction models can lead to increased efficacy in gene targeting. Developing improved models and incorporating approaches from machine learning may be able to overcome current limitations and greatly expand the capabilities of CRISPR-Cas9 tools for metabolic engineering.

59 BASIC BIOLOGICAL SCIENCES

Alternatives to MARVEL Power Conversion -- Comparison of Stirling Engine Thermal Efficiency and Design to Other Power Conversion Cycles

PRESENTATION for CONFERENCE PAPER: The Microreactor Applications, Research, Validation, and Evaluation (MARVEL) Reactor is a small liquid-metal thermal reactor that will be built at the Idaho National Laboratory to demonstrate design and operating processes for microreactors, microgrid integration, and process heat applications. Power conversion in the MARVEL design is provided by Stirling engines, which have disadvantages in nuclear environments. Compared to Stirling engine performance, some alternative power cycles can increase power production when coupled to a liquid-metal thermal reactor. In this paper, the thermal efficiency of MARVEL’s power production with Stirling engines is compared to the thermal efficiency of power production with MARVEL and alternative power cycles. Those cycles include a superheated Rankine cycle, open and closed Brayton cycles, and a supercritical carbon dioxide cycle. All cycles (except the Stirling engines) were modeled with an intermediate helium loop to meet MARVEL’s principal design criteria. All models are simple designs with conservative assumptions for consistent comparison. Detailed optimization will depend largely on reactor location and application, and the relative merit of each cycle is discussed for different environmental conditions. The study informs significant early decisions on power cycle design and economics for deployment of advanced microreactors as they move from theory and concept to execution.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Demonstration of Grid Services Using Mixed Grid-Forming and Grid-Following Technologies at the Wheatridge Renewable Energy Facility (Final Technical Report)

This Final Technical Report summarizes the analytical, modeling, and engineering work performed to evaluate grid-forming (GFM) inverter capabilities within a large hybrid renewable energy facility. The project focused on assessing the ability of advanced inverter-based resources to provide essential reliability services through coordinated operation of grid-forming (GFM) and grid-following (GFL) technologies. During Budget Period 1, the project developed a comprehensive framework of GFM performance metrics, including angle support, voltage regulation, frequency response, damping behavior, and current-limiting performance. Extensive electromagnetic transient (EMT) studies and hardware-in-the-loop (HIL) testing were conducted to validate GFM behavior under a range of operating conditions, including weak-grid scenarios, voltage disturbances, and multi-resource interactions. The project also established validated modeling approaches, plant-level control integration strategies, commissioning frameworks, and high-speed measurement infrastructure to support future field demonstration. Although the project concluded prior to field demonstration, the results provide a utility-scale foundation for evaluating, modeling, and deploying grid-forming technologies. The methodologies and tools developed contribute to industry understanding of inverter-based resource behavior and support future power system reliability under increasing renewable penetration.

14 SOLAR ENERGY

Calculating the Effects of Solids Input and Removal as a Temperature Control in the Advanced Scale Up Reactor Experiment (ASURE) Facility at NETL Using Aspen

The Advanced Scale Up Reactor Experiment (ASURE) facility at NETL is being designed to be a fuel-flexible multi-purpose reactor that can be used for pyrolysis/gasification or evaluation of other high pressure “circulating fluidized bed” (CFB) chemical processes. The initial system design calculations for pyrolysis/gasification are presented in this work showing the expected performance of the ASURE facility when used as a biomass conversion reactor. Several other areas of application include gasification of any carbonaceous fuel including biomass, coal, plastics, and other waste materials. The reactor can therefore be used to produce SYNGAS of various compositions and hydrogen as well as other high value chemicals resulting from a typical tuned gasification process. This paper discusses an ASPEN model of the facility, focusing on the riser of the CFB reactor and the solids recirculation loop. The ASPEN model divides the riser into two sections. A bottom section which receives ash, char and sand which have been recirculated from a return loop. In this section an inert fluidization gas, (N2 or CO2), is introduced which acts as the primary mover of the solids through the system. The bottom section is equipped with a restricted air feed so that the recirculated char can be partially oxidized. This oxidation process along with the inventory of recirculating sand are used to effectively control the temperature in the following two chemical conversion sections of the reactor which are the pyrolysis zone followed by a tar cracking zone. Fresh fuel is added to the pyrolysis zone and undergoes drying and devolatilization. The products ash, char, volatile matter, and water vapor exit the pyrolysis zone and enter the reaction block for tar cracking. Steam and CO2 gasification reactions will be incorporated into the tar cracking zone, however at the design operating temperature, conversion from these reactions is expected to be essentially zero. The unit when completed in 2026 will test mixtures of biomass, plastics, and waste coal. This presentation discusses the basic ASPEN engineering design model for this project and provides preliminary sensitivity studies to determine how the various parts of the reactor will perform.

ASSURE