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Demonstration and Evaluation of Explainable and Trustworthy Predictive Technology for Condition-based Maintenance

The domestic nuclear power plant (NPP) fleet has historically relied on labor-intensive and time-consuming predictive maintenance (PdM) programs, thus driving up operation and maintenance (O&M) costs to achieve high-capacity factors. Artificial intelligence (AI) and machine-learning (ML) can help simplify complex problems such as diagnosing equipment degradation to enable more effective decision-making efforts. The benefits of AI will be felt through more efficient plant O&M, improved work processes, and better integration of people and technology. Together, these benefits hold the promise to make nuclear power more sustainable by reducing O&M costs while improving employee engagement. While AI and ML technologies hold significant promise for the nuclear industry, there are challenges or barriers to their adoption. Explainability and trustworthiness of AI are two salient challenges that need to be addressed for wider deployment of these technologies in NPPs. This research focuses specifically on addressing the explainability and trustworthiness of AI technologies to advance the human, technical, and organization (HTO) readiness levels in adopting a risk-informed PdM strategy at commercial NPPs. In addition, this approach can be adapted to enhance the acceptability of AI in other nuclear applications with a few application-specific modifications. The technical approach ensuring wider adoption of AI technologies was developed by Idaho National Laboratory (INL)—in collaboration with Public Service Enterprise Group (PSEG), Nuclear, LLC—by utilizing the circulating water system (CWS) at two PSEG-owned plant sites for demonstration. Focused user studies were performed in collaboration with subject matter experts (SMEs) from PSEG and other nuclear domains to enhance human and organization readiness by building trust in AI-informed technologies. VIsualization for PrEdictive maintenance Recommendation (VIPER)—a Battelle Energy Alliance, LLC, copyrighted software—was developed and expanded to provide a user-centric visualization by incorporating inputs from the collaborating utility, human factors engineering guidelines, and data analysts. The VIPER software enables users, who may be unfamiliar with ML in general, to be interactively engaged by asking technical questions about PdM, work orders, diagnosis results and their confidence levels, the kind of data being used, and the types of ML algorithms employed. This interactive engagement enhances explainability and builds trust. One of the enabling accomplishments was the integration of large language models (LLMs), both text-based and vision-based, in the VIPER software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DEFE0023863 Final Report, Technology for GHG Emission Reduction and Cost-Competitive Mil-Spec Jet Fuel Production using CTL

Ceramatec Inc, in collaboration with IntraMicron (IM), the Energy & Environmental Research Center (EERC) and Sustainable Energy Solutions, LLC (SES), have completed a three-year research project integrating their respective proprietary technologies in key areas to demonstrate production of a jet fuel from coal and biomass sources. The project goals and objectives were to demonstrate technology capable of producing a “commercially-viable quantity” of jet fuel and make significant progress toward compliance with Section 526 of the Energy Independence and Security Act of 2007 (EISA 2007 §526) lifecycle greenhouse gas (GHG) emissions requirements. The Ceramatec led team completed the demonstration of nominal 2 bbl/day Fischer-Tropsch (FT) synthesis pilot plant design, capable of producing a nominal 1 bbl/day in the Jet-A/JP-8 fraction. This production rate would have a capacity of 1,000 gallons of jet fuel per month and provide the design basis of a 100 bbl/day module producing over 2,000 gallons of jet fuel per day. Co-gasification of coal-biomass blends enables a reduction of lifecycle greenhouse gas emissions from equivalent conventional petroleum derived fuel basis. Due to limits of biomass availability within an economic transportation range, implementation of a significant biomass feed fraction will require smaller plants than current world scale CTL and GTL FT plants. Hence a down-scaleable design is essential. The pilot plant design leverages Intramicron’s MicroFiber Entrapped Catalyst (MFEC) support which increases the catalyst bed thermal conductivity two orders of magnitude, allowing thermal management of the FT reaction exotherm in much larger reactor tubes. In this project, single tube reactors having 4.5 inch outer diameter and multi-tube reactors having 4 inch outer diameters were operated, with productivities as high as 1.5 gallons per day per linear foot of reactor tube. A significant reduction in tube count results from the use of large diameter reactor tubes, with an associated reduction in reactor cost. The pilot plant was designed with provisions for product collection capable of operating with conventional wax producing FT catalysts but was operated with a Chevron hybrid wax-free FT catalyst. Process simplification enabled by elimination of the wax hydrocracking process unit provides economic advantages in scaling to biomass capable plant sizes. Intramicron also provided a sulfur capture system based on their Oxidative Sulfur Removal (OSR) catalyst process. The integrated sulfur removal and FT systems were operated with syngas produced by the Transport Reactor Development Unit (TRDU) gasifier at the University of North Dakota EERC. SES performed modeling of their cryogenic carbon capture process on the energy, cost and CO2 emissions impact of the Coal-biomass synthetic fuel process.

01 COAL, LIGNITE, AND PEAT↗

Edge Deployed Cyber Security Hardware Architecture for Energy Delivery Systems

At a time of accelerated cyber conflict, an “edge deployed” system will supply sensor based cyber ground truth to live grid models, and under secure command, take complete control of suspected rogue programmable logic controllers (PLCs) to maintain bulk power delivery to chosen critical sites. This hardware solution is purpose built to be agnostic to PLC vendor or protocol with the realization that a widely deployed solution must function with existing devices for rapid adoption by industry. An overview of the situation and how this developed system functions is provided.

42 ENGINEERING↗

Improvements to neutron detection of Pu in solvent for an aqueous buffer tank, magnox reprocessing plant, Sellafield - 14216

The PP Active Feed Tank (PPAFT) is a buffer tank that is not safe by geometry and which is located between the Medium Active (MA) and Plutonium Purification (PP) cycles of the chemical separation process in the Magnox Reprocessing Plant. The PPAFT receives Pu nitrate in acid which has been conditioned ready for the extraction of Pu with TBP/OK (tri-butyl phosphate in kerosene) solvent in the PP Cycle. The criticality safety case for the PPAFT recognises that during both normal operations and potential maloperations solvent which is dissolved (TBP which is present in solution but can be released upon a change in acidity) and entrained (TBP/OK physically carried over but not in solution) will accumulate in the PPAFT. The only practicable route out for Pu in solvent in the PPAFT is the normal process route out from the base of the PPAFT to the PP cycle through intermediate vacuum lift and feed vessels. However, the dished end base of the PPAFT and the intermediate vacuum lift and feed vessels are of particularly challenging geometry. There are five neutron monitors placed around the PPAFT for the detection of Pu in solvent. The original design intent of the neutron detection system was that any single monitor should be able to reveal an accumulation of Pu in solvent before it would potentially be unsafe if fed downstream. However, over time there have been changes to the fuel feed and chemical process of the plant which have had the potential to affect the performance of the neutron monitoring system. The ability of the neutron monitoring system to function to its original intent was questioned. Work has recently been carried out to investigate the capabilities of the PPAFT neutron monitoring system for current plant conditions and to identify potential improvements while making best use of the existing neutron monitors. It was found that moving a neutron monitor from the side to the top of the PPAFT and adding alarms based on the ratio of signals from multiple neutron detectors would be effective in improving detection of Pu in solvent. This paper describes the challenges involved in detecting thin layers of Pu in solvent using neutron monitors, discusses the improvements made to the PPAFT neutron monitors and details the combination of real plant data and modelling with the shielding code MCBEND used to provide confidence in the enhanced neutron monitoring system. (author)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Engineering Multi-scale B2 Precipitation in a Heterogeneous FCC Based Microstructure to Enhance the Mechanical Properties of a Al0.5Co1.5CrFeNi1.5 High Entropy Alloy

While ordered L12 or gamma prime precipitates in face centered cubic (FCC) based microstructures have been extensively used for strengthening Nickel or Cobalt base superalloys, and more recently in high entropy alloys (HEAs) or complex concentrated alloys (CCAs), the possibility of exploiting ordered B2 precipitates in FCC-based systems has been relatively less investigated. The present study shows the propensity of developing a heterogeneous microstructure, consisting of two different distributions of FCC grain sizes, and two different size scales of B2 precipitates, within an FCC-based Al0.5Co1.5CrFeNi1.5 HEA/CCA. This alloy composition has been designed using solution thermodynamics-based modeling such that it has a high phase fraction and solvus temperature of the B2 phase. The resulting heterogenous microstructure exhibited an approximately 400% increase in yield strength with respect to the single-phase FCC solid solution condition of the same alloy while maintaining very good tensile ductility ~20 %.

Dasari, Sriswaroop↗

On the lift force modeling for single bubble in water

Lift force is one of the interfacial momentum transfer terms in the framework of two-fluid modeling. It is vital for accurate understanding of two phase flow system. The present study concluded the lift force modeling and correlations proposed using analytical, experimental and numerical approaches. The correlations were assessed with the existing experimental and numerical simulation results. The regions where insufficient data and contradictions between modeling and experimental data were presented were identified. A strategy for the lift force modeling was proposed based on the similarity between drag force and lift force. In addition, the effects of bubble size, fluid properties, contamination and shear flow rate were discussed. (authors)

42 ENGINEERING↗

Directed Energy Deposition Process Modeling, Validation, and Process-Informed Optimization

The directed energy deposition (DED) process, one of the most popular additive manufacturing techniques in use today, involves various complex physical mechanisms that are not yet well understood. In this regard, computational tools show promise for elucidating the manufacturing process and enabling nondestructive performance evaluations of manufactured parts. To better control and optimize the DED process?thereby improving the manufactured product? the present work develops and demonstrates a novel artificial intelligence (AI)-based process control and optimization technique. Specifically, a geometry-free thermo-mechanical model with adaptive subdomain construction is developed to accurately capture the material?s thermo-mechanical response under cyclical reheating and high cooling rates [1]. The model is demonstrated and validated with experimental measurements, in light of various geometries and processing parameters. Moreover, based on this thermo-mechanical model, a physics-informed reduced-order model is developed to enable quick predictions of the temperature field at every time step. Furthermore, an AI-based controller is developed that can adapt to the ever-changing system states by automatically adjusting the manufacturing process parameters. This entire work is based on the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) [2] and its recent integration with Libtorch (the C++ frontend of PyTorch [3]). The combined development of the adaptive material deposition scheme, thermo-mechanical model, associated reduced-order model, and AI-based process controller carries great potential for improving advanced manufacturing processes.

36 MATERIALS SCIENCE↗

IDAES-PSE 2.4.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications.. Deprecations • Convergence Analysis tool (idaes/core/util/convergence): deprecated in favor of new Parameter Sweep tools. To be removed in v3.0.0. New Beta Capabilities • Parameter Sweep Tool (idaes.core.util.parameter_sweep) o A new API for defining and performing parameter sweep studies on IDAES models has been developed • Diagnostics Tools (idaes.core.util.model_diagnostics) o New methods for identifying duplicate variables and constraints have been added to the diagnostics toolbox o New tools for detecting ill conditioning in Jacobians have been developed and are available in the model_diagnostics module. These provide alternatives to the existing DegeneracyHunter toolbox, and will eventually be merged with this capability, but initial working versions have been provided as beta capabilities for interested users o IpoptConvergenceAnalysis (replaces deprecated Convergence Analysis tool):  A new tool for performing convergence analysis studies that leverages the new Parameter Sweep tools has been developed. This tool allows users to define the input parameters to their model and sampling methods for these (leveraging Pysmo's sampling tools) and to then solve their model across the sampled domains and return a summary of the solver performance (IPOPT only) Improved Models • Thickener model (idaes.models.unit_models.solid_liquid.thickener) o Improved model to include predictive correlations for unit sizing based on settling velocity measurements (steady-state only) • Modular Property Packages o Added general support for calculating critical properties of mixtures using defined Equation of State modules. New API defined for Equation of State modules in order to define the necessary constraints for calculating critical properties (most EoS modules DO NOT support calculation of critical properties (yet)) o Added new methods to Cubic Equation of State module to support calculation of critical properties

DiagnosticsToolbox↗

sta-imex (scripts to investigate stability of IMEX methods)

Set of Matlab scripts to investigate properties of IMEX time stepping methods. Scripts include discretization of a system of linearized equations. One script plots numerical dispersion against analytical dispersion of the system. Another set of scripts uses the system to break it into stiff and non stiff part to investigate stability of Implicit-Explicit Runge-Kutta methods. Scripts are based on Thuburn, J. and Woollings, T. J., Vertical Discretizations for Compressible Euler Equation Atmospheric Models Giving Optimal Representation of Normal Modes , 2005 and Lock, S.-J. and Wood, N. and Weller, H., Numerical analyses of Runge-Kutta implicit-explicit schemes for horizontally explicit, vertically implicit solutions of atmospheric models, 2014 expanding ideas from these two papers. Scripts are used to develop IMEX schemes. SAND2020-12594 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Guba, Oksana↗

Microwave and Millimeter-Wave Radiometric Studies of Temperature, Water Vapor and Clouds

The importance of accurate measurements of column amounts of water vapor and cloud liquid has been well documented by scientists within the Atmospheric Radiation Measurement (ARM) Program. At the North Slope of Alaska (NSA), both microwave radiometers (MWR) and the MWRProfiler (MWRP), been used operationally by ARM for passive retrievals of the quantities: Precipitable Water Vapor (PWV) and Liquid Water Path (LWP). However, it has been convincingly shown that these instruments are inadequate to measure low amounts of PWV and LWP. In the case of water vapor, this is especially important during the Arctic winter, when PWV is frequently less than 2 mm. For low amounts of LWP (< 50 g/m{sup 2}), the MWR and MWRP retrievals have an accuracy that is also not acceptable. To address some of these needs, in March-April 2004, NOAA and ARM conducted the NSA Arctic Winter Radiometric Experiment - Water Vapor Intensive Operational Period at the ARM NSA/Adjacent Arctic Ocean (NSA/AAO) site. After this experiment, the radiometer group at NOAA moved to the Center for Environmental Technology (CET) of the Department of Electrical and Computer Engineering of the University of Colorado at Boulder. During this 2004 experiment, a total of 220 radiosondes were launched, and radiometric data from 22.235 to 380 GHz were obtained. Primary instruments included the ARM MWR and MWRP, a Global Positioning System (GPS), as well as the CET Ground-based Scanning Radiometer (GSR). We have analyzed data from these instruments to answer several questions of importance to ARM, including: (a) techniques for improved water vapor measurements; (b) improved calibration techniques during cloudy conditions; (c) the spectral response of radiometers to a variety of conditions: clear, liquid, ice, and mixed phase clouds; and (d) forward modeling of microwave and millimeter wave brightness temperatures from 22 to 380 GHz. Many of these results have been published in the open literature. During the third year of this contract, we participated in another ARM-sponsored experiment at the NSA during February-March 2007. This experiment is called the Radiative Heating in Underexplored Bands Campaign (RHUBC) and the GSR was operated successfully for the duration of the campaign. One of the principal goals of the experiment was to provide retrievals of water vapor during PWV amounts less than 2 mm and to compare GSR data with ARM radiometers and radiosondes. A secondary goal was to compare the radiometric response of the microwave and millimeter wavelength radiometers to water and ice clouds. In this final report, we will include the separate progress reports for each of the three years of the project and follow with a section on major accomplishments of the project.

54 ENVIRONMENTAL SCIENCES↗

Nuclear Fuel Cycle Technologies: Current Challenges and Future Plans - 12558

The mission of the Office of Nuclear Energy's Fuel Cycle Technologies office (FCT program) is to provide options for possible future changes in national nuclear energy programs. While the recent draft report of the Blue Ribbon Commission on America's Nuclear Future stressed the need for organization changes, interim waste storage and the establishment of a permanent repository for nuclear waste management, it also recognized the potential value of alternate fuel cycles and recommended continued research and development in that area. With constrained budgets and great expectations, the current challenges are significant. The FCT program now performs R and D covering the entire fuel cycle. This broad R and D scope is a result of the assignment of new research and development (R and D) responsibilities to the Office of Nuclear Energy (NE), as well as reorganization within NE. This scope includes uranium extraction from seawater and uranium enrichment R and D, used nuclear fuel recycling technology, advanced fuel development, and a fresh look at a range of disposal geologies. Additionally, the FCT program performs the necessary systems analysis and screening of fuel cycle alternatives that will identify the most promising approaches and areas of technology gaps. Finally, the FCT program is responsible for a focused effort to consider features of fuel cycle technology in a way that promotes nonproliferation and security, such as Safeguards and Security by Design, and advanced monitoring and predictive modeling capabilities. This paper and presentation will provide an overview of the FCT program R and D scope and discuss plans to analyze fuel cycle options and support identified R and D priorities into the future. The FCT program is making progress in implanting a science based, engineering driven research and development program that is evaluating options for a sustainable fuel cycle in the U.S. Responding to the BRC recommendations, any resulting legislative changes, and meeting the needs of the commercial nuclear industry (including developing and evaluating fuel concepts that may enhance accident tolerance in light water reactors while possibly improving fuel performance) are program priorities. Continuing to build partnerships and collaborations with industry, universities, international organizations, and other DOE programs are essential to addressing the challenges facing the FCT program. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Statistical surrogate models for prediction of high-consequence climate change.

In safety engineering, performance metrics are defined using probabilistic risk assessments focused on the low-probability, high-consequence tail of the distribution of possible events, as opposed to best estimates based on central tendencies. We frame the climate change problem and its associated risks in a similar manner. To properly explore the tails of the distribution requires extensive sampling, which is not possible with existing coupled atmospheric models due to the high computational cost of each simulation. We therefore propose the use of specialized statistical surrogate models (SSMs) for the purpose of exploring the probability law of various climate variables of interest. A SSM is different than a deterministic surrogate model in that it represents each climate variable of interest as a space/time random field. The SSM can be calibrated to available spatial and temporal data from existing climate databases, e.g., the Program for Climate Model Diagnosis and Intercomparison (PCMDI), or to a collection of outputs from a General Circulation Model (GCM), e.g., the Community Earth System Model (CESM) and its predecessors. Because of its reduced size and complexity, the realization of a large number of independent model outputs from a SSM becomes computationally straightforward, so that quantifying the risk associated with low-probability, high-consequence climate events becomes feasible. A Bayesian framework is developed to provide quantitative measures of confidence, via Bayesian credible intervals, in the use of the proposed approach to assess these risks.

54 ENVIRONMENTAL SCIENCES↗

Microchannel-based Membrane-less Extraction of Li from Unconventional Lithium Sources & the Separation of REE

This final report provides an overview of the Project's entire duration, covering July 1, 2021 to December 31, 2023. It primarily focuses on the achievements, technological developments, and unique challenges the team faced while working on separating and extracting Lithium from produced waters. The project's primary aim was to create an integrated, high-throughput, membrane-less, and modular microfluidic platform that could extract Lithium from unconventional sources. We have successfully met all goals and milestones envisioned in the SOPO document. The most critical primary milestones, including the Go-No-Go milestone (refer to the Gantt chart in the Appendices), were successfully accomplished. We demonstrated phase separation (>90%) and extraction (>85%) performance in the MPSE using synthetic, and representative produced water composition feed at 50 ml/min total flow through MPSE 36. We have also performed a parametric study of the MPSE operations, beyond the scope of SOPO, exploring operating conditions of current and broader interest. The extended investigation of operational parameters is concurrent with our efforts to seek further development of the MPSE technology beyond the scope of the Project. Along these lines of development, we have made efforts to be responsive to DOE calls for technological developments of other types of resources (beyond PW) for the recovery of Critical Materials and higher TRL development (beyond TRL 4). During the work on this Project, we developed and implemented three innovative technical approaches that emerged from our efforts to successfully meet the Project milestones. The innovative & original technical approaches developed and implemented in this Project are now the contributions to process engineering that could be clearly credited to the Project. First, Convergent Design Approach is a comprehensive feedforward & feedback loop of four design phases: i) design for functionality, ii) design for manufacturing, iii) design for sustainability, and iv) design for market. Next was Process Intensification. A major aim of this Project was to create an innovative phase separation & extraction microscale-based technology for Li separation – thus the words microchannel-based in the Project title. A microscale-based technology is intrinsically in the center of the Process Intensification domain as defined by its unique principles. Therefore, Process Intensification was implicitly envisioned in the Project’s SOPO. Lastly, Time Scale Analysis is a novel tool for discovering the needs and directions of Process Intensification implementations in any process technology. This Project is fully credited for developing and implementing the three novel technical approaches mentioned above. These are general contributions to process engineering that emerged from this Project. Beyond the original SOPO scope, the OSU-U.Pitt research group utilized a Convergent Design methodology, integrating first-principles mathematical modeling with experimental validation on the Minimum Development Vehicle. By creating these Digital Twins, the team rapidly assessed manufacturing iterations to support TEA analysis. This framework further enabled the development of advanced Surface Modification Techniques, where hydrophobic and oleophobic coating strategies were optimized via Digital Twin tools and validated through rigorous 100-hour longevity testing. TEA Analysis: The closing efforts of this Project were focused on the TEA analysis. TEA analysis had two primary functions: i) enabling critical assessments of design variations withing 10 the Concurrent Design Approach, thus enabling evolution of the MPSE design to reach faster- better-cheaper alternatives; and ii) to create a bridge between the accomplishments of this Project and future projects of higher TRL, beyond TRL 6 level. It is important to note that the TEA model created in the Project stirred the technological solutions for the recovery of critical materials toward a vision of a very profitable modular plant that has unique zero-waste water discharge signature. More importantly, thanks to our experimental performance data and conservative assumptions, the TEA model predicts minimal technological and investment risks. Low cost of a modular unit of a nominal capacity of [1000 tons of Li 2 CO 3 /year] positions the MPSE based technology within the reach of community investors, thus offering a paradigm shift in the development of critical technologies. The project successfully navigated two primary challenges: solvent selection and manufacturing adaptation. Restricted by the SOPO to existing literature for lithium recovery, the team identified a critical need for a "material excellence program" to develop next-generation solvents, eventually concluding with a preliminary investigation into promising Ionic Liquids (ILs). Simultaneously, COVID-19 supply chain disruptions forced a pivot from traditional manufacturing to advanced additive methods at ATAMI-OSU. By transitioning from stainless steel to 3D-printed polymer substrates, the team achieved a transformative three-order-of- magnitude reduction in manufacturing costs and compressed prototyping timelines from several months to just two days. The MPSE technology offers significant energy, environmental, and economic advantages by overcoming the traditional bottlenecks of phase-separation hardware and contactor size. Unlike conventional mixer-settlers or membrane-based systems, MPSE operates without moving parts or fouling-prone membranes, achieving robust performance even with challenging, viscous, or particulate-heavy feeds. Key performance metrics include an energy intensity reduction of 5–50x (3–40 kJ/m 3 ) compared to incumbent technologies and a dramatic reduction of processing time to under 60 seconds, which drastically reduces the physical plant footprint. These technical efficiencies translate into superior economic outcomes; for a 100 t/year Li 2 CO 3 facility, implementing MPSE is projected to nearly halve contactor CAPEX (from $\$$6.08M to $\$$3.01M) and significantly increase the project's Net Present Value (NPV), derisking new investment and enabling distributed critical-mineral processing configurations. The commercialization of MPSE technology is being spearheaded by Vigsur Dynamics Inc., which has adopted a structured, parallel approach to technical and business development since its formation in January 2026. Following extensive customer discovery and engagement with the Oregon State University accelerator, Vigsur Dynamics is working to establish a business model that transitions from pilot demonstrations to modular hardware sales, ultimately aiming for a "build-own-operate" service strategy. Current technical milestones—including 100 hours of continuous operation, superior energy efficiency, and successful 6-unit modular scale-up— provide a foundation for this transition. Backed by ongoing IP licensing and a growing network of industrial and venture advisors, the company is actively de-risking the platform to replace conventional mixer-settler systems in the critical minerals market.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

14 SOLAR ENERGY↗

Integrating Cybersecurity with System Operations and Restoration

This presentation covers the interaction of the discipline of system operations with the discipline of cybersecurity. First, a common mental model for risk - both cybersecurity and all-hazards - is presented, followed by a discussion of high-level management strategies for different kinds of cyber harm facing system operators, based on the consequences and frequencies of the harm. The next section covers the importance of cybersecurity for a system operator organization and explains some general concepts to understand the relationships. Finally the role of system operators in the security of the grid as a larger system of systems is discussed over the framework of a resilience event.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Realization of a Hole-Doped Mott Insulator on a Triangular Silicon Lattice

The physics of doped Mott insulators is at the heart of some of the most exotic physical phenomena in materials research including insulator-metal transitions, colossal magnetoresistance, and high-temperature superconductivity in layered perovskite compounds. Advances in this field would greatly benefit from the availability of new material systems with a similar richness of physical phenomena but with fewer chemical and structural complications in comparison to oxides. In this paper, using scanning tunneling microscopy and spectroscopy, we show that such a system can be realized on a silicon platform. The adsorption of one-third monolayer of Sn atoms on a Si(111) surface produces a triangular surface lattice with half filled dangling bond orbitals. Modulation hole doping of these dangling bonds unveils clear hallmarks of Mott physics, such as spectral weight transfer and the formation of quasiparticle states at the Fermi level, well-defined Fermi contour segments, and a sharp singularity in the density of states. These observations are remarkably similar to those made in complex oxide materials, including high-temperature superconductors, but highly extraordinary within the realm of conventional $sp$-bonded semiconductor materials. Finally, it suggests that exotic quantum matter phases can be realized and engineered on silicon-based materials platforms.

36 MATERIALS SCIENCE↗

Development of Community, Capabilities and Understanding Through Unmanned Aircraft-Based Atmospheric Research: The LAPSE-RATE Campaign

Members of the international community developing unmanned aircraft for atmospheric research conducted a highly-successful coordinated flight week in Colorado during summer 2018 to collect measurements, develop capabilities, and enhance community in the field. Because unmanned aircraft systems (UAS) offer new perspectives on the atmosphere, their use in atmospheric science is expanding rapidly. In support of this growth, the International Society for Atmospheric Research using Remotely-piloted Aircraft (ISARRA) has been developed and have convened annual meetings and 'flight weeks'. The 2018 flight week, dubbed the Lower Atmospheric Profiling Studies at Elevation - a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE), involved a one-week deployment to Colorado's San Luis Valley. Between 14-20 July 2018 over 100 students, scientists, engineers, pilots and outreach coordinators conducted an intensive field operation using unmanned aircraft and ground-based assets to develop datasets, community, and capabilities. In addition to a coordinated 'community day' which offered a chance for groups to share their aircraft and science with the San Luis Valley community, LAPSE-RATE participants conducted nearly 1300 research flights totaling over 250 flight hours. The measurements collected have been used to advance capabilities (instrumentation, platforms, sampling techniques and modeling tools), conduct a detailed system intercomparison study, develop new collaborations, and foster community support for the use of UAS in atmospheric science.

54 ENVIRONMENTAL SCIENCES↗

Environmental Protection Coating System for Refractory Metal Alloys (EPCS for RMAs)

As part of ARPA-E’s Ultra High Temperature Impervious Materials Advancing Turbine Efficiency (UITIMATE) program, this project aims to develop an environmental protection coating system (EPCS) for refractory metal alloys (RMAs) – which will provide radical improvement in long term protection for ultra-high temperature refractory metal components in harsh gas-turbine environments. The drive for higher fuel efficiency and higher core power of gas turbines used in electric power generation and in aircraft propulsion requires higher peak operation temperatures. The temperature capability of state-of-the-art materials cannot meet the new requirements. Refractory metal alloys have desirable capabilities for achieving the required peak temperatures, but most of them are subject to oxidation in the gas turbine environment. Thus, there is a strong need to develop novel environmental protective coatings that enable the refractory metals to operate in an ultra-high temperature engine environment. This project is composed of four major technical innovations that can provide a potentially transformational solution in providing environmental protection for refractory metal alloys over a wide range of temperature. 1) Multi-layer self-healing environmental barrier coating (EBC) that provides protection against combustion gas environment. 2) Oxidation resistant diffusion barrier (DB) on the alloy surface to enhance coating stability. 3) Synergistic integration of the multi-layer self-healing EBC with the diffusion barrier to extend coating life. 4) Guidance of physics-based modeling to accelerate coating development and optimization. Our team has successfully developed a multi-layer self-healing environmental protection coating system (EPCS) that can provide oxidation protection for commercially available molybdenum based refractory metal alloys over a wide temperature range of up to 1600 °C for fuel-efficient gas turbine applications. The team also developed a multi-layer high temperature coating design tool to accelerate coating development and optimization based on physics-based modeling. The team also engaged RTX business unite, notable Pratt and Whitney, for future commercialization of this technology. The successful completion of this Phase I effort led to the selection of performing Phase II of the program. In Phase II, the team plans to apply the EPCS in the protection of a newly discovered molybdenum-based metal alloy which has the potential of superior high temperature properties to the commercial products. Th coating will be evaluated under test conditions and environment that mimic gas turbine operation.

36 MATERIALS SCIENCE↗