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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Prototyping a self-learning digital twin platform for personalized treatment in melanoma patients (Final Report)

We completed all the Milestones and disseminated results at the 2021 Computational Approaches for Cancer Workshop (CAFCW21) at the SuperComputing21 conference. As part of Milestone 1, we developed and implemented a prototype digital twin of metastatic melanoma patients, performed quality checks on the code and released it as open source. The work has directly driven major grant proposals by the team on computational digital twins and supporting software infrastructure, including a successful fellowship application by the PI. Work was lead by Paul Macklin (Contact PI, Indiana University), in collaboration with Ilya Shmulevich (PI, Institute for Systems Biology), Tina Hernandez-Boussard (PI, Stanford Univ.), Jeffrey Bryan (Co-I, University of Missouri), Snigdhansu Chatterjee (Co-I, University of Minnesota), and Mohammad Fallahi-Sichani (Co-I, U. of Virginia). Postdoctoral student Heber L. Rocha (Macklin lab, IU) performed intensive computational work, in collaboration with Senior Research Scientist Boris Aguilar (Shmulevich lab, ISB).

59 BASIC BIOLOGICAL SCIENCES↗

Development of Digital Twin Predictive Model for PWR Components: Updates on Multi Times Series Temperature Prediction Using Recurrent Neural Network, DMW Fatigue Tests, System Level Thermal-Mechanical-Stress Analysis

The long-term operation (LTO) of nuclear power plant (NPP) beyond their original design life of 40 years, can lead to more material damage associated with cyclic fatigue under thermal-mechanical loading cycles and associated long-term exposure of reactor material to the deleterious reactor-coolant environments. However, under this LTO condition the reactor components can still safely operate but may require more frequent Nondestructive Evaluation (NDE) of reactor components. Frequent NDE requirement may lead to frequent shutdown of the NPP. This in turn can lead to power outage and additional NDE-inspection-cost related economic loss. The economic loss can be minimized by reducing uncertainty in life estimation of safety-critical pressure boundary components and by implementing more digital approach such as by using upcoming digital-twin (DT) technology for predicting the structural states (e.g., time and location dependent inside/outside thickness temperature, stress, strain, plastic deformation, etc.) and associated fatigue life of a component in real time. Towards this goal Argonne National Laboratory (ANL) with the sponsorship of DOE Light Water Reactor Sustainability (LWRS) program is working on the development of a DT framework that can be used for real time environmental fatigue prediction of reactor components. The DT framework is based on limited experiment-data, Artificial-intelligence (AI) – Machine-Learning (ML) - Deep-Learning (DL) based techniques and Multiphysics-computational-mechanics such as finite element (FE) based modeling tools. Towards this overall goal, following are some of the major contributions made during the FY21: 1) Multiple 82/182 dissimilar metal weld (DMW) specimens (both solid-weld and joint-weld representing the actual reactor multi-metal nozzles) were fatigue tested. The resulting fatigue lives were compared to the NUREG-6909 based best-fit and design fatigue curves. Additionally, the results of 52/152 DMW fatigue specimens (which were recently tested at Republic of Korea under the sponsorship of International Nuclear Energy Research Initiative - INERI program) were compared to the NUREG-6909 based best-fit and design fatigue curves. From the comparison of 82/182 and 52/152 DMW test data with NUREG-6909 best-fit curve, most of the reported test data fall way away from the NUREG-6909 suggested best-fit or mean curve. The NUREG-6909 suggested best-fit curve is the best-fit curve of austenitic stainless steel and due to lack of enough data on Nickel-based welds, this is currently being used for predicting the life of Nickel-alloy-based welded components. However, the above observation may require higher scaling factor (e.g., ASME suggested factor of 20 on cycles rather than the current NUREG-6909 suggested factor of 12 on cycles) for scaling the austenitic-stainless-steel best-fit-curve for estimating the design or safe-life of a welded component. Accordingly, for example, if a DMW component experience a strain amplitude of 0.6% the PWR-water life of the component would be 52 cycles instead of 85 cycles. However, more DMW tests are required to further ascertain the above-mentioned observations. 2) A system level CAD and finite element model were developed which consists of reactor pressure vessel (RPV), part of steam generator (SG), part of pressurizer (PRZ), hot leg (HL), and surge line (SL). This is with detailed nozzle geometry and thermal-mechanical material properties of different metals to simulate realistic thermal-mechanical stress under connected system global thermal-mechanical boundary conditions. 3) Different system level heat transfer analyses were performed with estimation of relevant heat transfer coefficients. The resulting data were used in subsequent system level thermal-mechanical stress analysis and for generating spatial-temporal training and validation data for a system level digital-twin based temperature predictor. Transient heat transfer analyses were performed considering thermal boundary condition under design-basis (DB) loading and EDF (Électricité de France) data-based grid-load-following (EDF-GLF) loading cycles. 4) System level thermal-mechanical stress analysis was performed for identifying damage-prone hotspots and for future extension of the model for cyclic state prediction. From the system-level model simulation under DB loading cycle it is found that HL and the SL nozzle that connect to the HL can experience significant stress and strain and could be one of the weakest links in the overall reactor coolant system (RCS). 5) An AI/ML based DT model was developed for multi-time-series temperature prediction at any inside/outside thickness locations of PWR pressure boundary components. This is by using Recurrent-neural-network (RNN) and keras machine learning libraries. The RNN model was validated against two laboratory test-based data sets with one obtained through ANL’s in-air fatigue test system and other through PWR-water test loop. The experimentally validated DT model further validated against FE model results to predict thermal scarification related spatialtemporal temperatures at random locations of a component. The well validated DT model was then used for demonstrating spatial-temporal temperature prediction under 100+ years of reactor operation subjected to combined DB, EDF-GLF and randomized grid-load-following (RANDOMGLF) loading Cycles. The expert-elicitation DT model framework was developed assuming field/input/process measurements can be available from a few existing plant sensors and can readily be used by the NPP operators. The above temperature prediction model will feed to the next-step stress analysis model based on which the life of a component can be predicted in realtime, which is one of our future works.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Digital twin advanced distribution management systems (ADMS) and methods

Advanced Distribution Management Systems not generally optimize over the entire feeder because there are few high-fidelity distribution circuit models and real-time distribution-connected sensors are rare. The limited observability at the distribution level makes it difficult to globally optimize distribution operations and issue control setpoints to power systems equipment or Distributed Energy Resources (DER) to perform grid-support services. For example, setpoints can be issued to DER based on results from an optimization module that incorporates a static or time-series feeder simulation. Feeder simulation initial conditions are populated with photovoltaic (PV) and load forecasts, state estimation results, and/or digital twin measurements or state output. The real-time (RT) digital twin runs a model of the feeder to generate state estimation pseudo-measurements since there are limited live feeder measurements.

Johnson, Jay Tillay↗

From Machine Learning to Nuclear Digital Twins

This presentation provides multiple case studies of Machine Learning, Uncertainty Quantification, Reduced Order Modeling, to achieve digital transformation and provide the components for nuclear digital twinning. The presentation is for an international virtual event titled: Consultancy Meeting on Applications of AI and Pattern Recognition Techniques for Uncertainty Quantification in Nuclear Power Modelling and Simulation held Oct 21-22, 2021.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Digital Twinning and Predictive Modeling of Traffic for Safe, Efficient, and Reliable Intersections

Over the last decade, the advances in connected and autonomous vehicles (CAVs) have far surpassed the technological realm of transportation infrastructure. There is a growing need to have a technologically commensurate transportation infrastructure to enable safe and reliable movement of goods and people. The recent creation of Advanced Research Projects Agency - Infrastructure (ARPA-I) through the Infrastructure Investment and Jobs Act by the U.S. Department of Transportation (USDOT) has further amplified the need to revolutionize the transportation infrastructure system in the US. This need is perhaps felt most at traffic intersections, as more than 50 percent of the combined total of fatal and injury crashes occur at or near intersections. The proposed concept of Infrastructure Perception and Control (IPC) is aimed at bridging this technological gap by building a real-time digital twin of traffic by fusing detections from sensors installed at the intersection. This digital twin can then empower a wide variety of applications such as smart traffic signals or infrastructure-to-everything (I2X) communications. Smart signaling can help avoid crashes through early-prediction, while I2X can augment the CAV sensors under uncertain driving conditions and provide connected vehicles (CVs) with traffic information they can use to optimize their travel.

connected vehicles↗

Digital Twin Based Condition Monitoring of LCC-LCC Inductive Power Transfer Systems

Inductive power transfer (IPT) systems provide a flexible, hands-free charging opportunity to electric vehicles (EV). The resonant network components and the transmitter and receiver coils are often subjected to high voltages or currents. Component aging in the compensation network and coils of resonant IPT systems is detrimental to the reliability and power transfer efficiency of the IPT system. Monitoring the component health of such multi-element complex systems requires robust optimization algorithms. This paper discusses condition monitoring of a resonant IPT system for an EV charger using a digital twin model. A hybrid estimation algorithm based on genetic algorithms and adaptive particle swarm optimization is developed to estimate the parameters of the digital twin model. Simulation results are used to verify the monitoring capabilities of the developed algorithm under various operating conditions of the IPT system.

Weldehawaryat, Lidya Mussie [graduate research ass↗

Real-Time Bayesian Inference at Extreme Scale: A Digital Twin for Tsunami Early Warning Applied to the Cascadia Subduction Zone

We present a Bayesian inversion-based digital twin that employs acoustic pressure data from seafloor sensors, along with 3D coupled acoustic–gravity wave equations, to infer earthquake-induced spatiotemporal seafloor motion in real time and forecast tsunami propagation toward coastlines for early warning with quantified uncertainties. Our target is the Cascadia subduction zone, with one billion parameters. Computing the posterior mean alone would require 50 years on a 512 GPU machine. Instead, exploiting the shift invariance of the parameter-to-observable map and devising novel parallel algorithms, we induce a fast offline–online decomposition. The offline component requires just one adjoint wave propagation per sensor; using MFEM, we scale this part of the computation to the full El Capitan system (43,520 GPUs) with 92% weak parallel efficiency. Moreover, given real-time data, the online component exactly solves the Bayesian inverse and forecasting problems in 0.2 seconds on a modest GPU system, a ten-billion-fold speedup.

97 MATHEMATICS AND COMPUTING↗

Toward a Smart Metaverse City: Immersive Realism and 3D Visualization of Digital Twin Cities

Metaverse and its related extended reality technologies can enable immersive, realistic, and participatory visualization of 3D data, and their use and the potential within a smart city can be effective for supporting urban research and urban operations management. This book chapter describes a vision for prototyping a “Smart Metaverse City” to combine the unique advantage of the Metaverse technology with the two-way connectivity of a digital twin city application. This synergy aims to create a virtual environment for immersive geovisualization to help researchers and the public understand the complex urban system through science-based and data-driven approaches. This book chapter selectively reviews past technological and paradigm advancements for collecting, analyzing, and visualizing 3D urban big data. Then we present a prototyping Geographic Information System (GIS) framework, together with some relevant data sources and open-source web technologies, to help researchers create a smart Metaverse city. We demonstrate our vision and discuss its application opportunities through a real-world example, a digital twin city developed at the Oak Ridge National Laboratory, to facilitate participatory, smart, and sustainable campus management.

Xu, Haowen↗

Digital Twin Development for Real Time Optimization

In the real-time optimization operation process of the integrated energy system, digital twin (DT) can support operators to find optimal dispatching strategy. In this research, the DT framework interfacing (external) system-level simulation model, RAVEN, and Python-based optimization framework has been developed. Simple demonstration of finding optimal input values minimizing an objective function with the DT framework has been presented.

25 ENERGY STORAGE↗

A Digital Twin of Scalable Quantum Clouds

Quantum computing has emerged as a transformative technology capable of solving complex problems beyond the limit of classical systems. The rapid development of quantum processors has led to the proliferation of cloud-based quantum computing services offered by platforms such as IBM, Google, and Amazon. These platforms introduce unique challenges in resource allocation, job scheduling, and multi-device orchestration as quantum workloads become increasingly complex. In this work, we present a digital twin of quantum cloud infrastructures: a framework designed to model and simulate the behavior of real quantum cloud systems. Developed in Python using the SimPy discrete-event simulation library, the framework replicates key aspects of quantum cloud environments, including detailed quantum device modeling, job lifecycle management, and job fidelity. It incorporates noise-aware fidelity estimation, making it the first of its kind to simulate superconducting gate-based quantum cloud systems at an administrative level with job fidelity. We present use cases as proof of concept, demonstrating that our quantum cloud simulation framework can act as a digital twin of a quantum cloud and support the modeling and implementation of practical systems.

Luo, Waylon [Kent State University]↗

A machining digital twin for hybrid manufacturing

Hybrid manufacturing consisting of metal additively manufactured preforms and computer numerical control (CNC) machining has been established to be an effective method for high material use rates. However, hybrid manufacturing introduces unique challenges. Near-net shape designs are typically selected, which result in a smaller margin for part placement within the stock and stringent requirements for work coordinate system identification. Additionally, less stock material reduces the preform stiffness, which limits the material removal rates during machining. This paper demonstrates a digital twin for CNC machining of a wire arc additively manufactured preform that implements: 1) structured light scanning for stock model identification and tool path generation; 2) a fused filament fabrication apparatus to attach temporary fiducials and scan targets to the preform that enable coordinate system definition for both the CAM and CNC machine; 3) preform and tool tip frequency response function measurements to enable stable milling parameter selection; and 4) post-manufacturing measurements of geometry, surface finish, and structural dynamics to confirm designer intent. These efforts define key components of the machining digital twin for hybrid manufacturing.

36 MATERIALS SCIENCE↗

Towards verifiable cancer digital twins: tissue level modeling protocol for precision medicine

Cancer exhibits substantial heterogeneity, manifesting as distinct morphological and molecular variations across tumors, which frequently undermines the efficacy of conventional oncological treatments. Developments in multiomics and sequencing technologies have paved the way for unraveling this heterogeneity. Nevertheless, the complexity of the data gathered from these methods cannot be fully interpreted through multimodal data analysis alone. Mathematical modeling plays a crucial role in delineating the underlying mechanisms to explain sources of heterogeneity using patient-specific data. Intra-tumoral diversity necessitates the development of precision oncology therapies utilizing multiphysics, multiscale mathematical models for cancer. This review discusses recent advancements in computational methodologies for precision oncology, highlighting the potential of cancer digital twins to enhance patient-specific decision-making in clinical settings. We review computational efforts in building patient-informed cellular and tissue-level models for cancer and propose a computational framework that utilizes agent-based modeling as an effective conduit to integrate cancer systems models that encode signaling at the cellular scale with digital twin models that predict tissue-level response in a tumor microenvironment customized to patient information. Furthermore, we discuss machine learning approaches to building surrogates for these complex mathematical models. These surrogates can potentially be used to conduct sensitivity analysis, verification, validation, and uncertainty quantification, which is especially important for tumor studies due to their dynamic nature.

60 APPLIED LIFE SCIENCES↗

Evaluation of Rooftop Solar Potential in Chernihiv and Lviv, Ukraine, and Efficacy of High-Resolution 3D Data Digital Twins [Slides]

NREL evaluated rooftop solar photovoltaic (PV) siting opportunities in the cities of Chernihiv and Lviv, Ukraine, leveraging very-high-resolution 3D elevation data to calculate technical potential. The study assessed total rooftop solar capacity and annual energy production. In Chernihiv and Lviv, 116,503 buildings were analyzed for their rooftop solar potential. The buildings in the study areas include a mixture of residential, commercial, and industrial buildings, characterized by diverse roof shapes and sizes. The total estimated rooftop solar capacity is 332 MWDC in Chernihiv and 873 MWDC in Lviv with annual energy production up to 376.2 GWhDC in Chernihiv and 995.5 GWhDC in Lviv. This accounting provides a clear estimate of the potential rooftop solar installations that could be realized under optimal conditions, considering both technical constraints and the geographic distribution of available rooftop space. Related to Russia's invasion of Ukraine, NREL estimates loss from buildings damaged or destroyed of 2,754 buildings, 20.15 MWDC of capacity, and 22,869 MWhDC of annual energy production in Chernihiv as well as a loss of 1,316 buildings, 34.49 MWDC of capacity, and 39,369 MWhDC of annual energy production in Lviv. The study also assessed the feasibility of adapting this methodology on a national scale using either simulated digital surface models (DSMs) or a digital twin approach. While the very-high-resolution DSM provided more precise results, the simulated DSM demonstrated reasonable accuracy for broader applications in modeling aggregated distributed solar supply. The feasibility of using a digital twin for Ukraine's national rooftop solar potential is considered promising, with certain limitations in areas with highly variable building stock and heavy war damage.

14 SOLAR ENERGY↗

Development of Gamma Background Radiation Digital Twin with Machine Learning Algorithms: Application of Unsupervised Machine Learning to Detection of Anomalies and Nuisances in Gamma Background Radiation Environmental Screening Data

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. The measurement data is a 2D matrix, where one dimension is gamma ray energy, and the other dimension is the number of measurements or total time. In principle, gamma radiation sources can be detected and identified from the measured data by their unique spectral lines. Detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. The objective of this work is to explore unsupervised machine learning (ML) algorithms for development of a digital twin of gamma radiation background, and for detection and identification of weak nuisances and anomalies events in the presence of highly fluctuating background. In one segment of work, we developed a gamma background estimation model using a Longshort term memory (LSTM) network for one-step CPS time series prediction. The LSTM model was validated with two data sets of measurements from two independent NaI detectors positioned on a mobile platform. The data sets contained background radiation only and no orphan isotope sources. The LSTM model was constructed and tested using data from one of the detectors. Performance of the LSTM model was validate through one-step prediction of CPS time series of another NaI detector without re-training. This approach allows to create a digital twin for nuclear background estimation. Using LSTM, it could be possible to detect a source through subtraction of the estimated counts from the measured background. In another segment of work, we investigated detection of gamma emitting sources in the presence of complex background using unsupervised machine learning. Spectral lines of isotopes are difficult to observe in one-second measurements. Averaging over the entire measurement campaign data set reveals spectral lines of most common background isotopes. Spectral lines of orphan sources, which might appear only in a few measurements during the campaign, will be washed out if averaging is performed over the entire measurement data set. The approach we have explored consists of extracting one-second measurements containing weak spectral features through data clustering. Averaging one-second spectra in a cluster should reveal the presence of anomaly sources. We created two ML models using K-means clustering and Neural Network Self-organizing Map (SOM). Performance of these ML models was benchmarked using search data. One data set contained 137 Cs source, and another dataset contained 131 I source.

54 ENVIRONMENTAL SCIENCES↗

A mesoscopic digital twin that bridges length and time scales for control of additively manufactured metal microstructures

We present our recent development of an integrated mesoscale digital twin (DT) framework for relating processing conditions, microstructures, and mechanical responses of additively manufactured (AM) metals. In particular, focusing on the laser powder bed fusion technique, we describe how individual modeling and simulation capabilities are coupled to investigate and control AM microstructural features at multiple length and time scales. We review our prior case studies that demonstrate the integrated modeling schemes, in which high-fidelity melt pool dynamics simulations provide accurate local thermal profiles and histories to subsequent AM microstructure simulations. We also report our new mechanical response modeling results for predicted AM microstructures. In addition, we illustrate how our DT framework has been validated through modeling–experiment integration, as well as how it has been practically utilized to guide and analyze AM experiments. Finally, we share our perspectives on future directions of further development of the DT framework for more efficient, accurate predictions and wider ranges of applications.

36 MATERIALS SCIENCE↗

Development of Whole System Digital Twins for Advanced Reactors: Leveraging Graph Neural Networks and SAM Simulations

Here, in this work, we introduce a novel method to develop whole system digital twins (DTs) for advanced nuclear reactors. This method treats a complex reactor system as a heterogeneous graph: with the system components as different types of graph nodes and their physical interconnections as edges. Based on the heterogeneous graph, a graph neural network combining graph convolution and temporal node attention is developed as the DT, facilitating a comprehensive understanding of the system's dynamic behavior. By utilizing the System Analysis Module (SAM) code for simulating various operational transients, we develop a graph-based database that trains the DT. This DT is characterized by two primary functions: It can infer the entire system's status using sparse node information, and it can predict the progress of transients based on current and historical system information. Our approach is validated through case studies on the Experimental Breeder Reactor II (EBR-II) system and a generic Fluoride-salt-cooled High-temperature Reactor (gFHR), demonstrating the DT's accuracy in forecasting operational transients. The DT's rapid computation capabilities enhance its potential for supporting advanced reactor operations, offering benefits in intelligent simulation, autonomous control, and anomaly detection, paving the way for improved safety analysis and intelligent component health management for advanced reactor systems and reducing their operations and maintenance cost.

EBR-II↗

Data coverage assessment on neural network based digital twins for autonomous control system

We report in a recently developed Nearly Autonomous Management and Control (NAMAC) system, neural networks (NNs) are used to develop digital twins for diagnosis (DT-Ds). However, NNs are not usually considered extrapolation models and may result in large errors if they are applied to unseen data outside the training data (uncovered). In this study, we propose a data coverage assessment (DCA) to determine if the NN-based DT-Ds are extrapolated based on their epistemic uncertainty. The uncertainty quantification algorithms and uncertainty thresholds are selected based on the confusion matrix of classifying evaluation data into covered or uncovered data. To demonstrate the adaptability of the proposed framework, we applied it to a basic feedforward neural network and a more advanced recurrent neural network based on a more nonlinear database. Case studies show that the proposed framework can distinguish unseen data for both basic and advanced applications with proper uncertainty quantification algorithms and thresholds.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗