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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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At least 91 records · Page 5

Upsampling Monte Carlo reactor simulation tallies in depleted LWR assemblies fueled with LEU and HALEU using a convolutional neural network

Simulating nuclear reactor cores at the highest achievable spatial and energy resolution is critical in modeling these systems accurately. Increasing the resolution, however, can dramatically increase the memory and central processing unit time required to run simulations. A convolutional neural network was shown previously to accurately upsample tally results of simulated light water reactor assemblies fueled with fresh, low enriched uranium. Here, we show that a convolutional neural network can be used to upsample tally results in assemblies containing fresh and depleted fuel enriched from 1.6 to 19.9 atom percent. The network was trained using neutron flux tallies from simulations of light water reactor assemblies with a range of fuel and coolant temperatures and a diverse selection of geometries. Accurate predictions of flux tallies are possible even on test assemblies with geometries and burnup levels well outside the range of those present in the training and validation data. The network improves the data density by a factor of 8 over a broad range of light water reactor assemblies while incurring insignificant additional computational cost to a Monte Carlo simulation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Coupling flux balance analysis with reactive transport modeling through machine learning for rapid and stable simulation of microbial metabolic switching

Integrating genome-scale metabolic networks with reactive transport models (RTMs) provides a detailed description of the dynamic changes in microbial growth and metabolism. Despite promising demonstrations in the past, computational inefficiency has been pointed out as a critical issue to overcome because it requires repeated application of linear programming (LP) to obtain flux balance analysis (FBA) solutions in every time step and spatial grid. To address this challenge, we propose a new simulation method where we train and validate artificial neural networks (ANNs) using randomly sampled FBA solutions and incorporate the resulting surrogate FBA model (represented as algebraic equations) into RTMs as source/sink terms. We demonstrate the efficiency of our method via a case study of Shewanella oneidensis MR-1. During aerobic growth on lactate, S. oneidensis produces metabolic byproducts (such as pyruvate and acetate), which are subsequently consumed as alternative carbon sources when the preferred nutrients are depleted. To effectively simulate these complex dynamics, we used a cybernetic approach that models metabolic switches as the outcome of dynamic competition among multiple growth options. In both zero-dimensional batch and one-dimensional column configurations, the ANN-based surrogate models achieved substantial reduction of computational time by several orders of magnitude compared to the original LP-based FBA models. Moreover, the ANN models produced robust solutions without any special measures to prevent numerical instability. These developments significantly promote our ability to utilize genome-scale networks in complex, multi-physics, and multi-dimensional ecosystem modeling.

59 BASIC BIOLOGICAL SCIENCES↗

Global River Topology (GRIT): A Bifurcating River Hydrography

Existing global river networks underpin a wide range of hydrological applications but do not represent channels with divergent river flows (bifurcations, multi‐threaded channels, canals), as these features defy the convergent flow assumption that elevation‐derived networks (e.g., HydroSHEDS, MERIT Hydro) are based on. Yet, bifurcations are important features of the global river drainage system, especially on large floodplains and river deltas, and are also often found in densely populated regions. Here we developed the first raster and vector‐based Global RIver Topology that not only represents the tributaries of the global drainage network but also the distributaries, including multi‐threaded rivers, canals and deltas. We achieve this by merging a 30 m Landsat‐based river mask with elevation‐generated streams to ensure a homogeneous drainage density outside of the river mask for rivers narrower than approximately 30 m. Crucially, we employ the new 30 m digital terrain model, FABDEM, based on TanDEM‐X, which shows greater accuracy over the traditionally used SRTM derivatives. After vectorization and pruning, directionality is assigned by a series of elevation, flow angle and continuity approaches. The new global network and its attributes are validated using gauging stations, comparison with existing networks, and randomized manual checks. The new network represents 19.6 million km of streams and rivers with drainage areas greater than 50 km 2 and includes 67,495 bifurcations. With the advent of hyper‐resolution modeling and artificial intelligence, GRIT is expected to greatly improve the accuracy of many river‐based applications such as flood forecasting, water availability and quality simulations, or riverine habitat mapping.

54 ENVIRONMENTAL SCIENCES↗

Optimization of Water-Alternating-CO2 Injection Field Operations Using a Machine-Learning-Assisted Workflow

Summary This paper will present a robust workflow to address multiobjective optimization (MOO) of carbon dioxide (CO2)-enhanced oil recovery (EOR)-sequestration projects with a large number of operational control parameters. Farnsworth unit (FWU) field, a mature oil reservoir undergoing CO2 alternating water injection (CO2-WAG) EOR, will be used as a field case to validate the proposed optimization protocol. The expected outcome of this work would be a repository of Pareto-optimal solutions of multiple objective functions, including oil recovery, carbon storage volume, and project economics. FWU’s numerical model is used to demonstrate the proposed optimization workflow. Because using MOO requires computationally intensive procedures, machine-learning-based proxies are introduced to substitute for the high-fidelity model, thus reducing the total computation overhead. The vector machine regression combined with the Gaussian kernel (Gaussian-SVR) is used to construct proxies. An iterative self-adjusting process prepares the training knowledge base to develop robust proxies and minimizes computational time. The proxies’ hyperparameters will be optimally designed using Bayesian optimization to achieve better generalization performance. Trained proxies will be coupled with multiobjective particle swarm Optimization (MOPSO) protocol to construct the Pareto-front solution repository. The outcomes of this workflow will be a repository containing Pareto-optimal solutions of multiple objectives considered in the CO2-WAG project. The proposed optimization workflow will be compared with another established methodology using a multilayer neural network (MLNN) to validate its feasibility in handling MOO with a large number of parameters to control. Optimization parameters used include operational variables that might be used to control the CO2-WAG process, such as the duration of the water/gas injection period, producer bottomhole pressure (BHP) control, and water injection rate of each well included in the numerical model. It is proved that the workflow coupling Gaussian-SVR proxies and the iterative self-adjusting protocol is more computationally efficient. The MOO process is made more rapid by squeezing the size of the required training knowledge base while maintaining the high accuracy of the optimized results. The outcomes of the optimization study show promising results in successfully establishing the solution repository considering multiple objective functions. Results are also verified by validating the Pareto fronts with simulation results using obtained optimized control parameters. The outcome from this work could provide field operators an opportunity to design a CO2-WAG project using as many inputs as possible from the reservoir models. The proposed work introduces a novel concept that couples Gaussian-SVR proxies with a self-adjusting protocol to increase the computational efficiency of the proposed workflow and to guarantee the high accuracy of the obtained optimized results. More importantly, the workflow can optimize a large number of control parameters used in a complex CO2-WAG process, which greatly extends its utility in solving large-scale MOO problems in various projects with similar desired outcomes.

Energy & Fuels↗

Data-Informed Synthetic Networks of Water Distribution Systems for Resilience Analysis in Puerto Rico

The increasing potential of infrastructure disruptions calls for high-quality infrastructure models to be used in resilience analysis and decision making. Unfortunately, many utilities and communities do not have access to accurate and detailed models due to a lack of data and resources. Furthermore, security restrictions on sharing infrastructure models present roadblocks to research, analysis, and decision making. Recent advances in the development of synthetic water distribution models provide a potential solution to this problem. There is an opportunity to improve these methods by leveraging incomplete pipe datasets to aid synthetic network generation. To address this gap, we developed a methodology for synthetic network generation that incorporates partial pipe data using a modification of the minimum cost flow algorithm for network generation and pipe sizing. This methodology demonstrates how partial pipe data can be leveraged to improve site-specific synthetic network generation. For the study area of Mayagüez, Puerto Rico, a synthetic model generated using 50% of real pipe data matches the pressure of the validation system with an average error of 23.5 m of head, which improves upon the average error of 31.6 m of head produced by a synthetic model generated using no data of the real pipes. Additionally, synthetic networks are shown to replicate the pressure response under a disruption scenario of the validation network, suggesting potential use in resilience analysis.

resilience analysis↗

Dynamical Sketching for Enhanced Communication Efficiency in Federated Learning

Federated learning (FL) has revolutionized distributed machine learning by enabling collaborative model training without sharing local data. However, communication efficiency and privacy guarantees remain significant challenges. This paper introduces a dynamic sketching mechanism in FL, optimizing the trade-off between communication efficiency and model accuracy. By dynamically selecting the sketch matrix size, our approach adapts to the evolving characteristics of the data and the model, ensuring optimal performance across diverse scenarios. We leverage Bayesian optimization to systematically tune the sketch parameters, achieving an effective balance between resource efficiency and model performance. Experimental results on the MNIST dataset using a convolutional neural network (CNN) architecture validate the proposed method's efficiency and scalability. Our dynamic sketching approach significantly outperforms fixed-size sketching techniques, achieving higher compression ratios (up to 62x) and providing better privacy guarantees while maintaining high model accuracy. These findings highlight the robustness and versatility of our approach and make it a valuable solution for privacy-preserving, communication-efficient federated learning.

Afrose, Sharmin [ORNL]↗

Network Slicing for Federated Learning in Operational Technology Environment

Industrial Control Systems (ICS) and Supervisory Control and Data Acquisition (SCADA) environments are essential to modern infrastructure, facing challenges in ensuring low-latency, high-throughput communication while mitigating cyber threats. This paper presents a framework integrating Federated Learning (FL) and network slicing with Quality of Service (QoS) to enable real-time monitoring without disrupting OT operations. Leveraging digital twin technology and Network Function Virtualization (NFV), the architecture supports predictive analytics and Industry 4.0 requirements. FL facilitates decentralized model training, preserving data privacy and scalability, though it introduces potential throughput constraints. Network slicing addresses this by creating dedicated virtualized segments optimized for performance and security. Advanced fault tolerance at the container and instance levels enhances system reliability. The proposed architecture ensures high throughput, low latency, and secure orchestration for real-time anomaly detection in OT networks. Performance evaluations validate its efficiency in throughput, deployment, and learning accuracy, providing a robust foundation for future ICS automation and data-driven decision-making.

Delgado, Brian G. Rodiles [University of Texas at ↗

Three-dimensional cooperative inversion of airborne magnetic and gravity gradient data using deep-learning techniques

Using multiple geophysical methods has become a prevailing approach in numerous geophysical applications to investigate subsurface structures and parameters. These multimethod-based exploration strategies have the potential to greatly diminish uncertainties and ambiguities encountered during geophysical data analysis and interpretation. One of the applications is the cooperative inversion of airborne magnetic and gravity gradient data for the interpretation of data obtained in mineral, oil and gas, and geothermal explorations. In this paper, a unified cooperative inversion framework is designed by combining the standard separate inversions with a deep neural network (DNN), which serves as the link between different types of data. A well-trained DNN takes the separately inverted susceptibility and density models as the inputs and provides improved models that will be used as the initial models of deterministic inversions. A two-round iteration strategy is adopted to guarantee the reasonability of the recovered models and overall efficiency of the inversion. In addition, this deep-learning (DL)-based framework demonstrates excellent generalization abilities when tested on models that are entirely distinct from the training data sets. The framework can easily incorporate multiphysics without necessitating any structural changes to the network. Synthetic experiments validate that our DL-based method outperforms conventional separate inversions and cross-gradient-based joint inversion in view of the accuracy of the recovered models and inversion efficiency. Successful application to field data further verifies the effectiveness of our DL-based method.

Geochemistry & Geophysics↗

Modeling and Rapid Prototyping of Integrated Transmission-Distribution OPF Formulations with PowerModelsITD.jl

Conventional electric power systems are composed of different unidirectional power flow stages of generation, transmission, and distribution, managed independently by transmission system and distribution system operators. However, as distribution systems increase in complexity due to the integration of distributed energy resources, coordination between transmission and distribution networks will be imperative for the optimal operation of the power grid. However, coupling models and formulations between transmission and distribution is non-trivial, in particular due to the common practice of modeling transmission systems as single-phase, and distribution systems as multi-conductor phase-unbalanced. To enable the rapid prototyping of power flow formulations, in particular in the modeling of the boundary conditions between these two seemingly incompatible data models, we introduce PowerModelsITD.jl, a free, open-source toolkit written in Julia for integrated transmission-distribution (ITD) optimization that leverages mature optimization libraries from the InfrastructureModels.jl-ecosystem. The primary objective of the proposed framework is to provide baseline implementations of steady-state ITD optimization problems, while providing a common platform for the evaluation of emerging formulations and optimization problems. In this work, we introduce the nonlinear formulations currently supported in PowerModelsITD.jl, which include AC-polar, AC-rectangular, current-voltage, and a linear network transportation model. Results are validated using combinations of IEEE transmission and distribution networks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Bayesian tensorized neural networks with automatic rank selection

Tensor decomposition is an effective approach to compress over-parameterized neural networks and to enable their deployment on resource-constrained hardware platforms. However, directly applying tensor compression in the training process is a challenging task due to the difficulty of choosing a proper tensor rank. In order to address this challenge, this paper proposes a low-rank Bayesian tensorized neural network. Our Bayesian method performs automatic model compression via an adaptive tensor rank determination. We also present approaches for posterior density calculation and maximum a posteriori (MAP) estimation for the end-to-end training of our tensorized neural network. Here, we provide experimental validation on a two-layer fully connected neural network, a 6-layer CNN and a 110-layer residual neural network where our work produces 7.4x to 137x more compact neural networks directly from the training while achieving high prediction accuracy.

Low-rank tensor↗

Optimal Network Reconfiguration and Scheduling With Hardware-in-the-Loop Validation for Improved Microgrid Resilience

With the increased occurrence of various major extreme weather events, power outages and prompt power system restorations have recently drawn more attention to the resilience and recovery of power systems. From the perspective of a more resilient power delivery at the distribution grid, system restoration using network topology reconfiguration together with optimal scheduling of distributed energy resources are adopted in this paper. The proposed optimization model aims at minimizing the total load shedding cost and other operational costs, in which linearized topological constraints borrowed from graph theory and linearized DistFlow models are respectively used to maintain the radial network topology and power flow balance after system contingencies. To demonstrate the applicability of the proposed strategy, a real-world case study of a networked three-microgrid system in Adjuntas, Puerto Rico, is used with the consideration of different independent/interconnected microgrid scenarios, contingencies, and fairness settings. Furthermore, hardware-in-the-loop testing is conducted for the same three-microgrid network, where the closely matched results with the simulated ones have validated the effectiveness of the proposed restoration strategy, which is now ready to move one step forward towards field deployment. Finally, to test the proposed restoration strategy in a larger networked system, the modified IEEE-33 bus test distribution system is considered, and the results show a more resilient power delivery for critical loads under three and four line outages.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Enabling Realistic Communications Evaluations for ADMS

Increasing penetration levels of inverter-based distributed energy resources (DERs) in distribution systems are creating challenges in system operation. Currently, wired or proprietary wireless communications are used by advanced distribution management systems (ADMS) to detect the state of the system and control the DERs for optimal operation. Wireless communications are an alternative solution that can enable connectivity between the dispersed assets used in distribution system applications. As demand for the seamless integration of distributed energy resources (DERs) continues to increase, proper networking and communications systems are becoming important to support the DER infrastructure. This report summarizes validation of a private wireless LTE network in a laboratory environment. The purpose of this work is to 1) demonstrate the effectiveness of private wireless LTE communication for grid applications and 2) provide a means of evaluating latency and overall performance of wireless communication in grid applications. First, private wireless LTE communication was validated in a direct transfer trip relaying scenario as an example of one-way communications using grid equipment. This study provided a baseline understanding of the variation in latency for seven different kinds of wireless scenarios shown in Figure A below. As expected, weak (attenuated) wireless signal-based communication yielded the widest ranges in latency. When higher priority was set for the trip signal communication, this resulted in lower latency in communication timing. In the final phase of this project, the private wireless LTE network was validated using two-way communications in an advanced distribution management system (ADMS) testbed which was developed in the ESIF at NREL. The purpose of this was to study the impact of wireless communication on grid performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Electron energy loss spectroscopy database synthesis and automation of core-loss edge recognition by deep-learning neural networks

Abstract The ionization edges encoded in the electron energy loss spectroscopy (EELS) spectra enable advanced material analysis including composition analyses and elemental quantifications. The development of the parallel EELS instrument and fast, sensitive detectors have greatly improved the acquisition speed of EELS spectra. However, the traditional way of core-loss edge recognition is experience based and human labor dependent, which limits the processing speed. So far, the low signal–noise ratio and the low jump ratio of the core-loss edges on the raw EELS spectra have been challenging for the automation of edge recognition. In this work, a convolutional-bidirectional long short-term memory neural network (CNN-BiLSTM) is proposed to automate the detection and elemental identification of core-loss edges from raw spectra. An EELS spectral database is synthesized by using our forward model to assist in the training and validation of the neural network. To make the synthesized spectra resemble the real spectra, we collected a large library of experimentally acquired EELS core edges. In synthesize the training library, the edges are modeled by fitting the multi-Gaussian model to the real edges from experiments, and the noise and instrumental imperfectness are simulated and added. The well-trained CNN-BiLSTM network is tested against both the simulated spectra and real spectra collected from experiments. The high accuracy of the network, 94.9%, proves that, without complicated preprocessing of the raw spectra, the proposed CNN-BiLSTM network achieves the automation of core-loss edge recognition for EELS spectra with high accuracy.

36 MATERIALS SCIENCE↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗