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At least 235 records · Page 13

Prevention of resistive wall tearing mode major disruptions with feedback

Resistive wall tearing modes (RWTMs) can cause major disruptions. A signature of RWTMs is that the rational surface is sufficiently close to the wall to interact with it. For (m,n) = (2,1) modes, a RWTM requires normalized minor radius of the rational surface ρ q2 ≥ 0.75, which can also be expressed as q 75 ≤ 2. Major disruptions can occur when the criterion is satisfied. This is confirmed in simulations and theory and in a DIII-D locked mode disruption database. The q 75 < 2 criterion is valid at high β as well as at low β. A very important feature of RWTMs is that they can be feedback stabilized. If the ρ q2 criterion is not satisfied, or if the wall is ideally conducting, then the mode does not produce a major disruption, although it can produce a minor disruption. Feedback, or rotation of the mode at the wall by complex feedback, can emulate an ideal wall, preventing major disruptions. The ρ q2 criterion depends weakly on the wall radius. A simple geometric model of its dependence on wall radius is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Phase Identification in Real Distribution Networks with High PV Penetration Using Advanced Metering Infrastructure Data

Many distribution network monitoring and control applications - including state estimation, volt/VAR optimization, and network reconfiguration - rely on accurate network models; however, the network models maintained by utilities can become outdated because of restoration activities, network reconfiguration, and missing data. With the widespread deployment of advanced metering infrastructure (AMI), abundant measurement data from low-voltage secondary networks are available. The AMI measurement data can be used for phase identification to improve the network models. Although the existing phase identification techniques work well in passive distribution feeders that do not have photovoltaic (PV) generation, they can fail to accurately identify the phases in the presence of PV. This paper proposes a robust phase identification algorithm based on supervised machine learning that accurately identifies the AMI meter phase connectivity in the presence of significant PV generation. The proposed algorithm does not require network topology information or feeder head measurement data. The algorithm is validated using the AMI measurement data collected in the field and the field-validated phase connectivity database on two real distribution feeders from San Diego Gas & Electric Company that have significant PV generation.

advanced metering infrastructure↗

Phase Identification in Real Distribution Networks with High PV Penetration Using Advanced Metering Infrastructure Data: Preprint

Many distribution network monitoring and control applications - including state estimation, volt/VAR optimization, and network reconfiguration - rely on accurate network models; however, the network models maintained by utilities can become outdated because of restoration activities, network reconfiguration, and missing data. With the widespread deployment of advanced metering infrastructure (AMI), abundant measurement data from low-voltage secondary networks are available. The AMI measurement data can be used for phase identification to improve the network models. Although the existing phase identification techniques work well in passive distribution feeders that do not have photovoltaic (PV) generation, they can fail to accurately identify the phases in the presence of PV. This paper proposes a robust phase identification algorithm based on supervised machine learning that accurately identifies the AMI meter phase connectivity in the presence of significant PV generation. The proposed algorithm does not require network topology information or feeder head measurement data. The algorithm is validated using the AMI measurement data collected in the field and the field-validated phase connectivity database on two real distribution feeders from San Diego Gas & Electric Company that have significant PV generation.

advanced metering infrastructure↗

Phase Identification in Real Distribution Networks with High PV Penetration Using Advanced Metering Infrastructure Data

Many distribution network monitoring and control applications - including state estimation, Volt/VAr optimization, and network reconfiguration - rely on accurate network models; however, the network models maintained by utilities can become outdated because of restoration activities, network reconfiguration, and missing data. With the widespread deployment of advanced metering infrastructure (AMI), abundant measurement data from low-voltage secondary networks are available. The AMI measurement data can be used for phase identification to improve the network models. Although the existing phase identification techniques work well in passive distribution feeders that do not have photovoltaic (PV) generation, they can fail to accurately identify the phases in the presence of PV. This paper proposes a robust phase identification algorithm based on supervised machine learning that accurately identifies the AMI meter phase connectivity in the presence of significant PV generation. The proposed algorithm does not require network topology information or feeder-head measurement data. The algorithm is validated using the AMI measurement data collected in the field and the field-validated phase connectivity database on two real distribution feeders from San Diego Gas & Electric Company that have significant PV generation.

advanced metering infrastructure (AMI)↗

Geophysical methods reveal the soil architecture and subsurface stratigraphic heterogeneities across land-lake interfaces along Lake Erie

Abstract Purpose The land-lake interface is a unique zone where terrestrial and aquatic ecosystems meet, forming part of the Earth’s most geochemically and biologically active zones. The unique characteristics of this interface are yet to be properly understood due to the inherently high spatiotemporal variability of subsurface properties, which are difficult to capture with the traditional soil sampling methods. Geophysical methods offer non-invasive techniques to capture variabilities in soil properties at a high resolution across various spatiotemporal scales. Methods We combined electromagnetic induction (EMI), electrical resistivity tomography (ERT), and ground penetrating radar (GPR) with data from soil cores and in situ sensors to investigate hydrostratigraphic heterogeneities across land-lake interfaces along the western basin of Lake Erie. Results EMI revealed high spatial heterogeneities in ECa distribution across the land-lake interfaces, with higher values in the wetland and transition zones compared to the upland zone. Soil ECa maps matched soil maps from a public database with the hydric soil units delineated as high conductivity zones (ECa > 40 mS/m). ERT and GPR showed vertical variation in soil properties with clear stratigraphic boundaries, and correlation of ERT profiles with lithologs from piezometers revealed the stratigraphic units of silt–clay and till sequence down to 3.5 m depth which are consistent with the surficial geology of the study area. Conclusions These results validate the use of multiple geophysical methods for extrapolating soil properties and mapping stratigraphic structures at land-lake interfaces, thereby providing the missing information required to improve the earth system model (ESM) of coastal interfaces.

54 ENVIRONMENTAL SCIENCES↗

Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy Applications

Here, the migration of crystallographic defects dictates material properties and performance for a plethora of technological applications. Density functional theory (DFT)-based nudged elastic band (NEB) calculations are a powerful computational technique for predicting defect migration activation energy barriers, yet they become prohibitively expensive for high-throughput screening of defect diffusivities. Without introducing hand-crafted (i.e., chemistry- or structure-specific) descriptors, we propose a generalized deep learning approach to train surrogate models for NEB energies of vacancy migration by hybridizing graph neural networks with transformer encoders and simply using pristine host structures as input. With sufficient training data, computationally efficient and simultaneous inference of vacancy defect thermodynamics and migration activation energies can be obtained to compute temperature-dependent vacancy diffusivities and to down-select candidates for more thorough DFT analysis or experiments. Thus, as we specifically demonstrate for potential water-splitting materials, candidates with desired defect thermodynamics, kinetics, and host stability properties can be more rapidly targeted from open-source databases of experimentally validated or hypothetical materials.

14 SOLAR ENERGY↗

Results and lessons learned from accelerating radio frequency modeling using machine learning [slides]

The “advanced tokamak” reactor concept is a leading candidate for a steady state fusion pilot plant. An advanced tokamak (AT) sustains a majority of the required plasma current with effects resulting from maintenance of the peaked pressure at the device center. This current is augmented by auxiliary current drive sources. These auxiliary actuators may consist of neutral particle beams and/or radio frequency (RF) systems such as lower hybrid current drive (LHCD) and high harmonic fast wave (HHFW) current drive using radio and microwaves from antennas. The primary focus of this work is to develop models of RF current profile control suitable for use in integrated modeling frameworks and for real-time control in experiments. Direct physics models of RF current drive can be computationally intensive. In order to achieve predictive times appropriate for the thousands of calls needed in real-time control of experiments and for use in integrated models, we will apply modern machine learning (ML) techniques to accelerate these models and interpolate their results. To generate the fast and accurate models for use in control level algorithms and integrated modeling we need to replace present models with high dimensional interpolation of their results. We will perform additional simulations across a broader parameter range for EAST and other tokamaks in different physics regimes (Alcator C-Mod, DIII-D, WEST, CFETR, ARC, ITER) and combine them into a larger database for training and testing of the ML models. Further testing of the control level models with experimental current profile data from EAST and C-Mod tokamaks will provide additional confirmation of the control level model before integration in a tokamak control system or integrated modeling suite. ML will be used to optimize the selection of training data consisting of RF current driven at different values of density profile, temperature profile, plasma current, and wavenumber. ML will also be used to facilitate classification of current drive from these input data. The output of this effort will be a validated classifier capable of determining the current drive profiles for HHFW CD and LHCD on a mille-second timescale. This will provide a breakthrough capability enabling real-time control of RF driven current profiles in experiments including ITER ICRF and use integrated modeling frameworks requiring thousands of current profile calculations in discharge simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predicting the oxidation states of Mn ions in the oxygen-evolving complex of photosystem II using supervised and unsupervised machine learning

Abstract Serial Femtosecond Crystallography at the X-ray Free Electron Laser (XFEL) sources enabled the imaging of the catalytic intermediates of the oxygen evolution reaction of Photosystem II (PSII). However, due to the incoherent transition of the S-states, the resolved structures are a convolution from different catalytic states. Here, we train Decision Tree Classifier and K-means clustering models on Mn compounds obtained from the Cambridge Crystallographic Database to predict the S-state of the X-ray, XFEL, and CryoEM structures by predicting the Mn’s oxidation states in the oxygen-evolving complex. The model agrees mostly with the XFEL structures in the dark S 1 state. However, significant discrepancies are observed for the excited XFEL states (S 2 , S 3, and S 0 ) and the dark states of the X-ray and CryoEM structures. Furthermore, there is a mismatch between the predicted S-states within the two monomers of the same dimer, mainly in the excited states. We validated our model against other metalloenzymes, the valence bond model and the Mn spin densities calculated using density functional theory for two of the mismatched predictions of PSII. The model suggests designing a more optimized sample delivery and illumiation systems are crucial to precisely resolve the geometry of the advanced S-states to overcome the noncoherent S-state transition. In addition, significant radiation damage is observed in X-ray and CryoEM structures, particularly at the dangler Mn center (Mn4). Our model represents a valuable tool for investigating the electronic structure of the catalytic metal cluster of PSII to understand the water splitting mechanism.

Plant Sciences↗

Life cycle assessment of coir fiber-reinforced composites for automotive applications

Past decades have seen an increasing prevalence of natural fiber-reinforced composites (NFRCs) due to growing conscientiousness around sustainability and a push towards vehicle lightweighting. The environmentally friendly and sustainable claims of NFRCs need to be validated due to their large variability and variety, particularly where material substitutions are concerned, such as in substituting glass fiber with natural fiber. Additionally, the objective of this work is to determine the cumulative energy demand (CED) and greenhouse gas emissions (GHG) associated with an automotive part (of volume 0.001 m3) made from 40 wt% coir fiber-reinforced polypropylene (PP) and compared with a similar part made from 40 wt% glass fiber reinforced PP. SimaPro v. 9.0.0.49 was used for the analysis, whereas inventory data were collected from databases, such as Ecoinvent 3, Transportation Energy Databook, Greet model 2022, and published papers. The results showed that CED and GHG associated with the coir fiber-reinforced composite part were lower than the glass fiber-reinforced composite part for both cradle-to-gate (~34–40%) and cradle-to-grave (excluding end-of-life) (~24%) analysis.

36 MATERIALS SCIENCE↗

Enhance BISON Metal Fuel Transient Models and Enable Assessment Based on Out-of-Pile Transient Experiments

In this report, the activities and achievements made by Argonne National Laboratory for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) BISON code metallic fuel validation and verification (V&V) project in FY2023, with a focus on the capability development and assessment case development for the out-of-pile transient experiments, are summarized. The liquid cladding penetration model was improved based on a comprehensive set of fuel behavior test apparatus (FBTA) test results. The new model was implemented into BISON along with a simple model to account for fuel melting effects. The metallic fuel meshing capability was also upgraded to allow local refinement using unstructured triangular mesh. Based on the previous success in developing the BISON-FIPD integration powered BISON assessment case, this database enabled BISON evaluation and V&V capability was expanded to the out-of-pile transient experiments by introducing BISON-OPTD integration. A series of initial out-of-pile transient assessment cases were implemented into BISON to provide powerful platforms to evaluate current BISON’s capabilities in simulating metallic fuel performance during out-of-pile transients. The established capabilities will also benefit the calibration and V&V of future advanced mechanistic models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

KOMPASS-II: Compaction of Crushed salt for Safe Containment – Phase 2

Long-term stable sealing elements are a basic component in the safety concept for a possible repository for heat-emitting radioactive waste in rock salt. The sealing elements will be part of the closure concept for drifts and shafts. They will be made from a welldefinied crushed salt in employ a specific manufacturing process. The use of crushed salt as geotechnical barrier as required by the German Site Selection Act from 2017 /STA 17/ represents a paradigm change in the safety function of crushed salt, since this material was formerly only considered as stabilizing backfill for the host rock. The demonstration of the long-term stability and impermeability of crushed salt is crucial for its use as a geotechnical barrier. The KOMPASS-II project, is a follow-up of the KOMPASS-I project and continues the work with focus on improving the understanding of the thermal-hydraulic-mechanical (THM) coupled processes in crushed salt compaction with the objective to enhance the scientific competence for using crushed salt for the long-term isolation of high-level nuclear waste within rock salt repositories. The project strives for an adequate characterization of the compaction process and the essential influencing parameters, as well as a robust and reliable long-term prognosis using validated constitutive models. For this purpose, experimental studies on long-term compaction tests are combined with microstructural investigations and numerical modeling. The long-term compaction tests in this project focused on the effect of mean stress, deviatoric stress and temperature on the compaction behavior of crushed salt. A laboratory benchmark was performed identifying a variability in compaction behavior. Microstructural investigations were executed with the objective to characterize the influence of pre-compaction procedure, humidity content and grain size/grain size distribution on the overall compaction process of crushed salt with respect to the deformation mechanisms. The created database was used for benchmark calculations aiming for improvement and optimization of a large number of constitutive models available for crushed salt. The models were calibrated, and the improvement process was made visible applying the virtual demonstrator.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Generating realistic building electrical load profiles through the Generative Adversarial Network (GAN)

Building electrical load profiles can improve understanding of building energy efficiency, demand flexibility, and building-grid interactions. Current approaches to generating load profiles are time-consuming and not capable of reflecting the dynamic and stochastic behaviors of real buildings; some approaches also trigger data privacy concerns. In this study, we proposed a novel approach for generating realistic electrical load profiles of buildings through the Generative Adversarial Network (GAN), a machine learning technique that is capable of revealing an unknown probability distribution purely from data. The proposed approach has three main steps: (1) normalizing the daily 24-hour load profiles, (2) clustering the daily load profiles with the k-means algorithm, and (3) using GAN to generate daily load profiles for each cluster. The approach was tested with an open-source database – the Building Data Genome Project. We validated the proposed method by comparing the mean, standard deviation, and distribution of key parameters of the generated load profiles with those of the real ones. The KL divergence of the generated and real load profiles are within 0.3 for majority of parameters and clusters. Additionally, results showed the load profiles generated by GAN can capture not only the general trend but also the random variations of the actual electrical loads in buildings. We report the proposed GAN approach can be used to generate building electrical load profiles, verify other load profile generation models, detect changes to load profiles, and more importantly, anonymize smart meter data for sharing, to support research and applications of grid-interactive efficient buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Physics-guided machine learning for improved accuracy of the National Solar Radiation Database

The National Solar Radiation Database (NSRDB) provides high-resolution spatiotemporal solar irradiance data for the entire globe. The NSRDB uses a two-step Physical Solar Model (PSM) to compute the effects of clouds and other atmospheric variables on the solar radiation reaching the surface of the Earth. Physical and optical cloud properties are fundamental inputs to the PSM and are derived from the National Oceanic and Atmospheric Administration's Geostationary Operational Environmental Satellites. This paper describes recent improvements to the NSRDB driven by physics-guided machine learning methods for cloud property retrieval. The impacts of these new methods on the NSRDB irradiance data are validated using an extensive set of ground measurement sites, showing significant improvement for all sites. We report on average, the mean absolute percentage error for global horizontal irradiance and direct normal irradiance show reductions of 2.16 and 3.95 percentage points respectively for all daylight conditions, 5.92 and 17.39 percentage points respectively for cloudy conditions, and 9.00 and 22.59 percentage points respectively for gap-filled cloudy conditions. These new methods will help improve the quality and accuracy of the irradiance and cloud data in the NSRDB.

14 SOLAR ENERGY↗

From natural language to control signals: a conceptual framework for semantic channel finding in complex experimental infrastructure

Modern experimental platforms such as particle accelerators, fusion devices, telescopes, and industrial process control systems expose tens to hundreds of thousands of control and diagnostic channels, accumulated over decades of hardware evolution. Operators and AI systems alike depend on informal expert knowledge, inconsistent naming conventions, and scattered documentation to locate the signals required for monitoring, troubleshooting, and automated control, creating a persistent bottleneck for reliability, scalability, and emerging language-model-driven interfaces. We formalize semantic channel finding, the task of mapping natural-language intent to concrete control-system signals, as a general problem in complex experimental infrastructure, and introduce a four-paradigm conceptual framework to guide architecture selection based on facility-specific data regimes. The paradigms span (i) direct in-context lookup over small, curated channel dictionaries, (ii) constrained hierarchical navigation through structured trees, (iii) interactive agent exploration using iterative reasoning and tool-based database queries, and (iv) ontology-grounded semantic search that decouples channel meaning from facility-specific naming conventions. We demonstrate the practical feasibility of each paradigm through proof-of-concept implementations at four operational facilities spanning two orders of magnitude in scale: from compact free-electron lasers to large synchrotron light sources, operating under diverse control-system architectures ranging from clean hierarchical naming schemes to legacy environments with decades of heterogeneous conventions. Where evaluated against expert-curated operational queries, these instantiations achieve 90%–97% accuracy, validating the framework’s applicability across real-world deployment scenarios. To accelerate adoption across the broader scientific and industrial control-system community, we release open-source, plug-and-play implementations of all three interactive paradigms-direct lookup, hierarchical navigation, and middle-layer exploration-within the Osprey framework, together with tools for channel database generation, interactive testing, and minimal-configuration deployment. This work establishes semantic channel finding as a foundational capability for human-centric and agentic AI interfaces at large-scale facilities, providing both a systematic framework for architecture design and practical resources to enable adoption without building custom infrastructure from scratch.

channel finding↗

Computationally evaluating high-yield metabolites for sustainable aviation fuel (SAF) using machine learning

The computational tool described in this report helps identify promising biological pathways that produce SAF platform molecules (either a drop-in SAF, or a precursor that can be easily converted to a drop-in SAF). The workflow the computational tool follows first identifies possible biological pathways from a user-defined metabolite. These pathways may, or may not lead to a SAF platform molecule, thus the second step involves insilico testing of the end product of each pathway to assess whether it is, or is not, a SAF platform molecule. The identification of biological pathways performed in the first step is facilitated by linking the metabolite to a biological reaction database. Pathways are found by identifying pathways in the reaction database that include the metabolite. The computational tool includes an alternative way to find pathways. The alternative way develops a Flux Balanced Analysis (FBA), and modifying the FBA to include reactions that transform the metabolite. These modifications serve as a basis for understanding, in a semi-quantitative way, if there is an increase in the flux to desirable products. The second step, in silico testing of the end-products, is accomplished by estimating key physical properties relevant to SAF. When good models are available, we have integrated those models into the computational tool. In a few instances, we have developed our own models. In all instances, we have validated the models against available measured data. Finally, we have evaluated the effectiveness of our computational tool by genetically engineering Rhodosporidium toruloides. Validation occurred without the use of a FBA, and further validation is required.

09 BIOMASS FUELS↗

UNF-ST&DARDS Enhancements for RCCA Data in As-loaded Dual Purpose Cask Models

This report summarizes the work performed to enable detailed modeling of rod cluster control assembly (RCCAs) in dual purpose canisters (DPCs) in as-loaded configurations using the Used Nuclear Fuel – Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS). The goal of this project was to evaluate the reactivity impact that RCCAs have on k eff of DPCs with pressurized water reactor (PWR) fuel to potentially use the additional margin in future post-closure criticality safety analysis. This preliminary evaluation determined the number of DPCs that currently require compensatory actions prior to emplacement in a repository because of their high reactivity under post-closure criticality scenarios, which could be made acceptable by including the as-loaded RCCAs as specified in the Unified Database (UDB). This report briefly describes the modeling methods currently used within UNF-ST&DARDS and the modifications made to automate inclusion of the as-loaded RCCAs in the DPCs for post-closure criticality calculations for the loss of neutron absorber (NA) scenarios, or NA models. For the Zion site, the loss of basket scenarios, or degraded basket (DB) models, are also included. Discussion is also provided regarding the UDB data compared to available site-specific loading map data for the sites, which are specifically evaluated herein. This report compares the modifications to a similar evaluation for the Zion by site conducted by Walker as an initial validation. After the partial validation, all existing PWR sites with applicable NA models within the UDB were evaluated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Mapping wall-to-wall fractional cover of Arctic tundra plant functional types in Alaska using 20-m spatial resolution satellite imagery and harmonized plot observations

Estimates of fractional cover (fCover) across given land surfaces are used to assess, and often model, vegetation composition and diversity, which are crucial for understanding the health and functioning of terrestrial ecosystems. Remote sensing provides a useful means for scaling local, plot-measured fCover estimates to regional scales. Leveraging a recently synthesized and harmonized plot database, this study generated wall-to-wall maps of fCover for six Alaskan-Arctic plant functional types (PFT), including non-vascular plants, forbs, graminoids, and deciduous and evergreen shrubs, using 20-m satellite data (Sentinel-1, Sentinel-2, ArcticDEM) using a machine learning regression approach, specifically the random forest (RF) algorithm, which is well-suited for handling nonlinear relationships and high-dimensional satellite datasets. This study additionally addressed the spatio-temporal inconsistencies e.g., sampling scale, plot size, and collection year in plot measured fCover by adopting a multivariate outlier detection approach—Cook’s distance—to identify high-quality plots for model training and validation. Our approach achieves high accuracy (R 2 = 0.59–0.93, root mean squared errors = 0.02–0.10 for all PFTs) between plot-observed and satellite-derived fCover when using high-quality plot samples. The mapped fCover characterizes the spatial patterns of different PFTs across the tundra biome at a 20-m resolution, providing key information needed for improved representation of Arctic tundra vegetation in terrestrial biosphere models to better understand climate-vegetation feedback across the Arctic tundra.

Arctic tundra↗

A deep learning approach to real-time HIV outbreak detection using genetic data

Pathogen genomic sequence data are increasingly made available for epidemiological monitoring. A main interest is to identify and assess the potential of infectious disease outbreaks. While popular methods to analyze sequence data often involve phylogenetic tree inference, they are vulnerable to errors from recombination and impose a high computational cost, making it difficult to obtain real-time results when the number of sequences is in or above the thousands. Here, we propose an alternative strategy to outbreak detection using genomic data based on deep learning methods developed for image classification. The key idea is to use a pairwise genetic distance matrix calculated from viral sequences as an image, and develop convolutional neutral network (CNN) models to classify areas of the images that show signatures of active outbreak, leading to identification of subsets of sequences taken from an active outbreak. We showed that our method is efficient in finding HIV-1 outbreaks with R0 ≥ 2.5, and overall a specificity exceeding 98% and sensitivity better than 92%. We validated our approach using data from HIV-1 CRF01 in Europe, containing both endemic sequences and a well-known dual outbreak in intravenous drug users. Our model accurately identified known outbreak sequences in the background of slower spreading HIV. Importantly, we detected both outbreaks early on, before they were over, implying that had this method been applied in real-time as data became available, one would have been able to intervene and possibly prevent the extent of these outbreaks. This approach is scalable to processing hundreds of thousands of sequences, making it useful for current and future real-time epidemiological investigations, including public health monitoring using large databases and especially for rapid outbreak identification.

59 BASIC BIOLOGICAL SCIENCES↗