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At least 199 records · Page 11

3D Deep Learning Joint Inversion of Active Seismic Full Waveform and Passive Seismic Traveltime Data for Reservoir Imaging and Uncertainty Quantification

Here, we present deep learning (DL) networks for three-dimensional (3D) joint inversion of active seismic full waveform and passive seismic traveltime data to image reservoirs and their properties and quantify imaging uncertainties. Active seismic full-waveform data can provide high-resolution monitoring images but are collected only intermittently because of their high acquisition cost. In contrast, passive seismic data can be gathered at relatively low cost between regular active surveys, although their imaging quality can be compromised by factors such as low signal-to-noise ratios and limited ray coverage of the target. Although these datasets are routinely acquired together at CO 2 storage sites, their combined inversion within a 3D DL framework has not been previously demonstrated. To our knowledge, this is the first study to address this gap, combining the strength of both data types. For efficient data storage and DL training with large 3D seismic datasets, we use a 3D data matrix in which a random number of passive seismic traveltime data are stored as parabolic envelopes using one-hot encoding and a 3D full-waveform data matrix in which multiple shot gathers are summed. Two network architectures are evaluated: a single-encoder U-Net for single-data type inversion and a dual-encoder U-Net for joint inversion of active and passive seismic data. We also evaluate the single-encoder U-Net for joint inversion by concatenating full-waveform data and traveltime data. We propose a systematic approach for selecting an optimal dropout rate that balances regularization during training and Monte Carlo dropout-based uncertainty quantification during prediction by examining the correlation coefficient between standard deviation and prediction error, along with the training misfit, across a range of dropout rates. 3D DL inversion experiments include five different network configurations, with evaluations under ideal, noisy and dropout-enabled conditions. Both model and data uncertainties are assessed, as well as their combined effects. Across all conditions, the networks consistently predict accurate CO 2 saturation models with low prediction errors, such as a structural similarity index of 0.993 and CO 2 difference of 1.1%. Uncertainty estimates show strong spatial correlation with prediction errors, confirming the effectiveness of the proposed dropout selection approach. The results demonstrate that our DL approach, utilizing compact data representations and appropriate uncertainty quantification, yields accurate subsurface images under various inversion conditions and provides valuable insights into the reliability of predictions.

Um, Evan Schankee [Lawrence Berkeley National Labo↗

Digital Real-Time Simulation and Power Quality Analysis of a Hydrogen-Generating Nuclear-Renewable Integrated Energy System

This paper investigates the challenges and solutions associated with integrating a hydrogen-generating nuclear-renewable integrated energy system (NR-IES) under a transactive energy framework. The proposed system directs excess nuclear power to hydrogen production during periods of low grid demand while utilizing renewables to maintain grid stability. Using digital real-time simulation (DRTS) in the Typhoon HIL 404 model, the dynamic interactions between nuclear power plants, electrolyzers, and power grids are analyzed to mitigate issues such as harmonic distortion, power quality degradation, and low power factor caused by large non-linear loads. A three-phase power conversion system is modeled using the Typhoon HIL 404 model and includes a generator, a variable load, an electrolyzer, and power filters. Active harmonic filters (AHFs) and hybrid active power filters (HAPFs) are implemented to address harmonic mitigation and reactive power compensation. The results reveal that the HAPF topology effectively balances cost efficiency and performance and significantly reduces active filter current requirements compared to AHF-only systems. During maximum electrolyzer operation at 4 MW, the grid frequency dropped below 59.3 Hz without filtering; however, the implementation of power filters successfully restored the frequency to 59.9 Hz, demonstrating its effectiveness in maintaining grid stability. Future work will focus on integrating a deep reinforcement learning (DRL) framework with real-time simulation and optimizing real-time power dispatch, thus enabling a scalable, efficient NR-IES for sustainable energy markets.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Exploring the Functional Performance of a Commercial High-Temperature Photopolymer Resin for Vat Photopolymerized Injection Molding Tools

Additive manufacturing (AM) presents a promising approach for rapid tooling, offering significant reductions in production costs and lead times compared to that of conventional moldmaking processes. This work examines the fabrication of molds for injection molding through vat photopolymerization (VPP) AM, using a commercially available photopolymer resin intended for high temperature applications (High Temp V2 resin). The photorheological behavior of the resin is examined to evaluate its curing kinetics and mechanical development during polymerization, ensuring suitability for mold fabrication. The thermal and mechanical properties of the printed photopolymer resin are characterized, alongside assessments of dimensional accuracy and surface finish, which are critical factors influencing the performance and quality of injection molded parts. Additionally, specimens produced using VPP-fabricated molds are evaluated and benchmarked against those molded with traditional metal molds.

Jones, Haley W. [Savannah River National Laborator↗

Drying of strawberries with airborne ultrasound and other integrated dehydration mechanisms

This article presents a comprehensive investigation into the drying of strawberries using multiple dehydration methods with an emphasis on energy efficiency and sustainability. Initially, an airborne ultrasonic transducer with a frequency of 21 kHz was employed in batch operations to examine the effects of controlling parameters, including applied power, distance from the transducer plate, sample thickness, and sample holder type. The Energy Ratio, defined as the ratio of thermal energy required to evaporate moisture to ultrasonic energy, was observed to reach up to 2.2, particularly during the initial stages of drying. Subsequently, the Smart Dryer integrated airborne ultrasound (US) dehydration, slot jet reattachment (SJR) nozzle convective drying, infrared (IR) drying, and their combinations, enabling a systematic exploration of various drying conditions on the drying time and quality of strawberries. The integration of airborne US with SJR nozzles and IR drying demonstrates a promising approach for optimizing drying processes. This method not only preserves the quality of dried strawberries but also improves the energy factor to 0.88, reducing drying time by 89% compared with other conditions. Key quality attributes of the dried strawberries, such as color and water activity, were evaluated to understand the influence of each drying method. The findings highlight the potential of these integrated drying techniques as sustainable solutions for efficient and high-quality strawberry dehydration.

42 ENGINEERING↗

Contrasting effects of land-use and local disturbance on plant and pollinator communities in wetlands

While pollinators and wetlands both provide important ecosystem services (e.g., the pollination of flowering plants and improving water quality), the relationship between the two is not well understood. Both biotic and abiotic effects can mediate the local wetland flower and pollinator community. In this study, we investigated how land use, including a land use gradient at five different radii, from 250 m to 2 km, along with anthropogenic disturbance affected pollinators in wetland ecosystems. We surveyed the abundance and diversity of plant-pollinator communities in fifteen different wetlands across two years. We also tested the relationship between water quality and temperature, and the abundance and diversity of flowering plants and pollinating insects. Our results suggest that increasing temperature, which was strongly associated with developed land use, had a negative effect on the floral display of wetland plants, as well as the abundance of all flower visitors and hover flies. Hover fly abundance was also positively associated with agricultural land use and total nitrogen in the water. Meanwhile, the abundance of female bees was affected by an interaction between temperature and disturbance: female bees were most abundant when temperatures were lower in areas of low disturbance. In contrast, pollinator species richness increased with temperature when developed land use was low, and floral diversity was strongly affected by several interactions between disturbance, land use, and water quality. Finally, the community composition of both plants and insects varied significantly among low, medium, and high disturbance categories, with weedier, non-native species being significantly associated with areas of higher disturbance and in sites with greater anthropogenic land use. We demonstrate that ecological communities shift significantly in response to anthropogenic change. Our work also illustrates the importance of quantifying interactions between land use and local disturbance with abiotic factors such as temperature and water quality on ecological systems.

Disturbance↗

Renormalization of states and quasiparticles in many-body downfolding

We explore the principles of many-body Hamiltonian complexity reduction via downfolding on an effective low-dimensional representation. We show that the renormalization factor provides a unique measure of the quality of the compression as it directly represents the projection between the approximate stationary state of the many-body Hamiltonian and the full many-body wavefunction. Hence, the renormalization factor is a measure of fidelity between the effective (reduced-rank) description and the full many-body treatment for arbitrary (i.e., ground and excited) states. When the entire problem is mapped on a system of interacting quasiparticles [Romanova et al., npj Comput. Mater. 9, 126 (2023)], the effective Hamiltonians can faithfully reproduce the physics only when a clear energy scale separation exists between the subsystems and their environment. We also demonstrate that it is necessary to include quasiparticle renormalization at distinct energy scales, capturing the distinct interaction between subsystems and their surrounding environments. Numerical results from simple, exactly solvable models highlight the limitations and strengths of this approach, particularly for ground and low-lying excited states. This work lays the groundwork for applying dynamical downfolding techniques to problems concerned with (quantum) interfaces.

Green-functions technique↗

Impact of grassland fire dynamics on particulate emission factors

Understanding particulate emission factors in grassland fires is critical for improving air quality assessments and refining emissions inventories. This study explores the dynamic and heterogeneous nature of fire processes and their influence on particulate emissions. Traditional emission factor inventories often rely on static values, overlooking the spatially and temporally variable dynamics of fire behavior. Through field experiments conducted at Konza Prairie Biological Station measuring emissions with uncrewed aerial vehicles, and computational modeling using HIGRAD/FIRETEC, this research highlights the dependency of emission production on localized fire dynamics, including ignition patterns, fuel properties, and atmospheric conditions. The results demonstrate a need for fire dynamic considerations to accurately capture emissions variability.

09 BIOMASS FUELS↗

Information-entropy-driven generation of material-agnostic datasets for machine-learning interatomic potentials

In contrast to their empirical counterparts, machine-learning interatomic potentials (MLIAPs) promise to deliver near-quantum accuracy over broad regions of configuration space. However, due to their generic functional forms and extreme flexibility, they can catastrophically fail to capture the properties of novel, out-of-sample configurations, making the quality of the training set a determining factor, especially when investigating materials under extreme conditions. We propose a novel automated dataset generation method based on the maximization of the information entropy of the feature distribution, aiming at an extremely broad coverage of the configuration space in a way that is agnostic to the properties of specific target materials. The ability of the dataset to capture unique material properties is demonstrated on a range of unary materials, including elements with the FCC (Al), BCC (W), HCP (Be, Re and Os), graphite (C), and trigonal (Sb, Te) ground states. MLIAPs trained to this dataset are shown to be accurate over a range of application-relevant metrics, as well as extremely robust over very broad swaths of configurations space, even without dataset fine-tuning or hyper-parameter optimization, making the approach extremely attractive to rapidly and autonomously develop general-purpose MLIAPs suitable for simulations in extreme conditions.

36 MATERIALS SCIENCE↗

Orphaned oil and gas well methane emission rates quantified using Gaussian plume inversions of ambient observations

Abstract. Annually, ∼ 3.6 million abandoned oil and gas wells in the US emit a combined ∼ 2.6 Tg methane (CH4), adversely affecting climate and regional air quality. However, these estimates depend on emission factors derived from measuring subpopulations of wells that vary by orders of magnitude due to very limited field sampling and poorly characterized distributions. Currently, US protocols to remediate orphaned wells lacks standardized quantification methods needed to both prioritize plugging and account for emission reductions. Therefore, sensitive, reliable, affordable, and scalable CH4 flux quantification methods are needed. We report the use of a simple Gaussian plume method where the dispersion parameters are constrained by in situ ground measurements of CH4 concentration at four locations 7.5–49 m downwind of the orphan well as well as local winds to estimate the leak rate from an orphan well. We derive a flux of 10.53 ± 1.16 kg CH4 h−1 during a venting procedure in April 2023 that agrees with the directly measured volumetric flow rate of 9.00 ± 0.25 kg CH4 h−1. This is 71 % greater than the 5.3 kg CH4 h−1 flux measured 7 months prior. Additionally, we discovered a secondary leak through the surface casing inferred as 0.43–0.67 kg CH4 h−1 both by our ground Gaussian analysis and by transecting the plume with an uncrewed aerial system (UAS). We show that in situ determination of the dispersion parameters used in our Gaussian inversions allows us to measure methane emissions to 15 % accuracy, significantly reducing errors when compared to the standard practice of assuming stability class. Our results help develop simpler methods and protocols for robust orphan well emission quantification that can be used for reporting.

Follansbee, Emily↗

Extracting Material Property Measurements from Scientific Literature with Limited Annotations

Extracting material property data from scientific text is pivotal for advancing data-driven research in chemistry and materials science; however, the extensive annotation effort required to produce training data for named entity recognition (NER) models for this task often makes it a barrier to extracting specialized data sets. Here, in this work, we present a comparative study of the conventional, supervised NER methodology to alternative few-shot learning architectures and large language model (LLM)-based approaches that mitigate the need to label large training data sets. We find that the best-performing LLM (GPT-4o) not only excels in directly extracting relevant material properties based on limited examples but also enhances supervised learning through data augmentation. We supplement our findings with error and data quality assessments to provide a nuanced understanding of factors that impact property measurement extraction.

36 MATERIALS SCIENCE↗

Connected Thermostat Alternatives for Room Air Conditioners and Minisplit Heat Pumps

The availability of smart, connected thermostats has improved climate control, energy efficiency, and grid demand-response programs for central HVAC systems. However, a significant gap exists in addressing integrated control systems for point-source heating and cooling systems such as window air-conditioners (window ACs) and mini-split heat pumps (MSHPs). This report examines the emerging market of third-party connected thermostats tailored for these systems, focusing on their effectiveness, reliability, and potential barriers to adoption.This study evaluates several commercially available products designed for room ACs and MSHPs through a series of laboratory tests. While these infrared-based (IR-based) thermostats offer remote temperature control and scheduling via mobile apps, our findings reveal that none are seamless, with reliability of basic functions being a critical factor. Promising features include integration of indoor air quality metrics and time-of-use pricing, but the latter are not yet available in the U.S. Barriers to broad user acceptance include non-seamless setup processes, challenges in thermostat placement, and unclear product differentiation. There is a pressing need for research and development in enabling MSHPs and central thermostats to coordinate, enhancing energy savings and comfort in retrofit applications. This study underscores the importance of further innovation in connected thermostat technology to address the diverse needs of single-zone HVAC systems and promote efficient energy management in households.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Data-Driven Framework for Predicting the Sorting and Screening Performance of an Integrated Biomass Feedstock Preprocessing System

The characteristics of mechanically sorted and screened lignocellulosic biomass, such as the mass contents of corn stover anatomical fractions (leaves, husks, stalks, cobs, etc.), can be used to calculate the intermediate feedstock quality attributes “yield” and “purity” that indicate the conversion efficiency of biocrude. No prior study has investigated the correlations from the characteristics of raw biomass and preprocessing unit operation parameters to those intermediate feedstock quality attributes. This work presents a data-driven framework for assessing and predicting the intermediate feedstock quality attributes in an integrated biomass feedstock preprocessing system. Our study used corn stover as a typical type of herbaceous biomass because of its abundance in the U.S. It began with data acquisition of moisture content, particle size distribution, and anatomical fractions of the materials after each unit operation in the system. The objective of this preprocessing system is to minimize husks and leaves and maximizing cobs and stalks by mechanically separating the materials into three streams via disc screen and air separator. Prototype neural network models were then developed to evaluate the feasibility of predicting process outcomes based on measurable parameters. It is found that incorporating physical constraints into these prediction models significantly enhances the accuracy of the predicted yield and purity against the ground truth data. The experimental data and model predictions indicate that decreasing throughput increases purity, while higher throughput results in lower purity. Finally, an optimization problem was introduced to search optimal combinations of feed material properties and preprocessing unit operation parameters, as the intermediate feedstock quality attributes – yield and purity, appeared to be competing factors. The study also suggests the continual need to improve the data-driven framework’s predictability by incorporating more accurate physical models to describe the dynamics in the preprocessing units such as the air separator.

09 - BIOMASS FUELS↗

Solid-State Mixed-Potential Electrochemical Sensors for Natural Gas Leak Detection and Quality Control (Final Technical Report)

Mitigation of methane emissions are a critical factor to limiting the impact of the natural gas industry on global climate change. Throughout the period of 2020-2024, the University of New Mexico and its commercialization partner and subcontractor, SensorComm Technologies, Inc. (SCT), have worked together to develop a low-cost Artificial Intelligence (AI)-driven Internet of Things (IoT)-based multi-gas sensor platform for methane emissions detection. In the final year of the project, we extended this work to include hydrogen detection in support of a transition to a hydrogen economy where hydrogen could be transported through existing natural gas infrastructure. Mixed potential electrochemical sensors were first prototyped by ceramic additive manufacturing and then transitioned to conventional ceramic manufacturing tape casting and screen-printing technologies in preparation for mass production. Demonstrated limits of detection of 5 ppm of methane in natural gas and 1 ppm of hydrogen were measured. These limits of detection are among the lowest of solid-state electrochemical sensors that have been reported in the literature or available in the industry. Machine learning algorithms were developed to identify natural gas mixtures with > 98% accuracy level and quantify methane concentrations at 97% accuracy. The presence of hydrogen could also be identified, and its concentration quantified at these accuracy levels. These algorithms were optimized for running on portable computing hardware which enabled > 1 Hz processing rates. A portable packaged IoT system was integrated with the electrochemical sensor in collaboration with SCT. The package consists of readout electronics with < 1 mV resolution, sensor temperature control, and data transmission over cellular wireless and/or Wi-Fi networks. Field testing was performed in two rounds at Colorado State University’s Methane Emissions Technology Evaluation Center (CSU METEC). The first round of testing demonstrated successful measurements of methane from an underground natural gas leak of 20 standard liters per minute (SLPM), which agreed with previously published literature using more sophisticated and expensive analytical equipment. The second round of testing showed that an above ground leak of 2 SLPM of hydrogen could be detected at 32 ft. This project has resulted in six published peer reviewed journal articles, over ten presentations at professional conferences, and one full patent application filed in 2023. Future work on this project includes increased sensitivity, higher production yields, and applications in the hydrogen safety and flare emissions monitoring spaces.

03 NATURAL GAS↗

Machine Learning for Automated Weld Quality Monitoring and Control

Resistance Spot Welding (RSW) is a critical process in the automotive industry, valued for its cost-effectiveness, short cycle time, and robustness. However, achieving consistent high-quality joints remains challenging due to the complex interplay of various factors, like materials, processes, and manufacturing uncertainties, etc. Under the collaborative project between Oak Ridge National Laboratory (ORNL) and General Motors (GM), we have developed a robust and expansible machine learning (ML) framework aimed at enhancing quality control in RSW. By harnessing the power of machine learning, we have developed the ability to ensure every aspect of the welding process, from the initial process design stage to the final weld joint quality. The framework operates by analyzing a variety of data streams, including in-line process signals, process parameters, materials, and postprocessed weld joint data. Through this analysis, the models have been trained to detect deviations from optimal quality standards, leveraging their ability to identify signature data patterns and anomalies within in-line signals and construct complex correlations between these signals and weld quality parameters. Meanwhile, the machine learning framework is designed to adapt to a variety of materials, including high strength steels and aluminum alloys, etc. Its flexible architecture facilitates the incorporation of diverse data sources and features, enabling precise modeling and prediction across a broad range of material properties and weld quality variables. The expansible ML frameworks represent a promising transformation in weld quality monitoring and control, empowering industry to achieve high levels of efficiency, consistency, and reliability in manufacturing.

99 GENERAL AND MISCELLANEOUS↗

Machine Learning for Automated Weld Quality Monitoring and Control

Resistance Spot Welding (RSW) is a critical process in the automotive industry, valued for its cost-effectiveness, short cycle time, and robustness. However, achieving consistent high-quality joints remains challenging due to the complex interplay of various factors, like materials, processes, and manufacturing uncertainties, etc. Under the collaborative project between Oak Ridge National Laboratory (ORNL) and General Motors (GM), we have developed a robust and expansible machine learning (ML) framework aimed at enhancing quality control in RSW. By harnessing the power of machine learning, we have developed the ability to ensure every aspect of the welding process, from the initial process design stage to the final weld joint quality. The framework operates by analyzing a variety of data streams, including in-line process signals, process parameters, materials, and postprocessed weld joint data. Through this analysis, the models have been trained to detect deviations from optimal quality standards, leveraging their ability to identify signature data patterns and anomalies within in-line signals and construct complex correlations between these signals and weld quality parameters. Meanwhile, the machine learning framework is designed to adapt to a variety of materials, including high strength steels and aluminum alloys, etc. Its flexible architecture facilitates the incorporation of diverse data sources and features, enabling precise modeling and prediction across a broad range of material properties and weld quality variables. The expansible ML frameworks represent a promising transformation in weld quality monitoring and control, empowering industry to achieve high levels of efficiency, consistency, and reliability in manufacturing.

42 ENGINEERING↗

Dark Energy Survey Deep Field photometric redshift performance and training incompleteness assessment

Context. The determination of accurate photometric redshifts (photo-zs) in large imaging galaxy surveys is key for cosmological studies. One of the most common approaches are machine learning techniques. These methods require a spectroscopic or reference sample to train the algorithms. Attention has to be paid to the quality and properties of these samples since they are key factors in the estimation of reliable photo-zs. Aims. The goal of this work is to calculate the photo-zs for the Y3 DES Deep Fields catalogue using the DNF machine learning algorithm. Moreover, we want to develop techniques to assess the incompleteness of the training sample and metrics to study how incompleteness affects the quality of photometric redshifts. Finally, we are interested in comparing the performance obtained with respect to the EAzY template fitting approach on Y3 DES Deep Fields catalogue. Methods. We have emulated -- at brighter magnitude -- the training incompleteness with a spectroscopic sample whose redshifts are known to have a measurable view of the problem. We have used a principal component analysis to graphically assess incompleteness and to relate it with the performance parameters provided by DNF. Finally, we have applied the results about the incompleteness to the photo-z computation on Y3 DES Deep Fields with DNF and estimated its performance. Results. The photo-zs for the galaxies on DES Deep Fields have been computed with the DNF algorithm and added to the Y3 DES Deep Fields catalogue. They are available at https://des.ncsa.illinois.edu/releases/y3a2/Y3deepfields. Some techniques have been developed to evaluate the performance in the absence of "true" redshift and to assess completeness. We have studied... (Partial abstract)

79 ASTRONOMY AND ASTROPHYSICS↗

Primer: Physical Factors of Agricultural Production & Climate Change

This white paper is a primer on physical factors that influence agricultural production and associated touchpoints to climate change. Agricultural production (which includes both crop and livestock production) is critical for food security and supports other economic products, such as textiles and generation of fuels for energy. Various physical factors influence agricultural production, including the crop types being cultivated and livestock being raised; land area and quality; water access and control; fertilizers, pesticides, and antibiotics; labor; and infrastructure associated with processing, storage, and transportation. These factors are impacted by climate change in both chronic and acute ways, from changing temperatures and precipitation patterns to increased prevalence of extreme events and diseases. We draw on examples from around the world to show the complex ways that agricultural production factors and climate interact with local capacities to influence regions around the world.

54 ENVIRONMENTAL SCIENCES↗

Evaluating Limits of Machine Learning-Assisted Raman Spectroscopy in Classification of Biological Samples

Machine learning (ML)-assisted Raman spectroscopy has become a powerful analytical tool for the classification and identification of analytes; however, technical challenges impacting its detection accuracy have not been thoroughly investigated. This study explores experimental factors affecting classification performance. Among the evaluated ML models, ML algorithms show minimal impact on classification accuracy. Instead, experimental factors, including spectral similarity between tested samples and data quality, dominate detection performance. Increases in spectral noise and spectral similarity significantly reduce classification accuracy. In well-controlled samples with low experimental noise, ML-assisted Raman spectroscopy can discriminate lipid mixtures with a composition difference of 1.85 mol %. To assess the effect of biological heterogeneity, we analyzed single-cell Raman spectra from Saccharomyces cerevisiae strains carrying single, double, or triple gene mutations. Intrinsic cell-to-cell variability introduced substantial spectral differences, severely reducing the accuracy of multiclass classification of these genetically similar strains at the single-cell level. Averaging Raman spectra across multiple cells improved classification accuracy by reducing this spectral variability. We also assess the effectiveness of transfer learning across different Raman spectrometers, specifically by applying an ML model trained on one instrument to another Raman spectrometer. Transfer learning can be improved with proper instrument calibration, highlighting the importance of instrument standardization. Overall, our results demonstrate that data quality and spectral similarity are the primary bottlenecks in ML-assisted Raman spectroscopy. Careful attention to sample preparation, data acquisition, measurement conditions, and instrument calibration is critical to achieving robust and reliable classification performance.

Fungi↗