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Optimizing Alabama’s CO 2 Storage in Shelby County (Project OASIS): Task 4.0 Deliverable – Geologic Analysis Report

Project OASIS (Optimizing Alabama’s CO 2 Storage in Shelby County) is a geologic and reservoir characterization study designed to evaluate deep saline formations for potential long-term carbon dioxide (CO 2 ) storage in central Alabama near the National Carbon Capture Center (NCCC) and Alabama Power’s Plant Gaston. The project centers on the Cambro-Ordovician Knox Group and underlying strata such as the Conasauga and Rome Formations, which were investigated through the drilling of two stratigraphic test wells to obtain electronic well logs, core, and sidewall core plugs. These data provide direct measurements of porosity, permeability, and lithologic variability critical for reservoir characterization. Complementing the well program, a limited 2D seismic survey was acquired to help select the site for Westover #2, and a more regional Seismic Exchange (SEI) seismic survey was licensed and interpreted to define structural and stratigraphic frameworks in a new Static Earth Model (SEM), map reservoir continuity, and identify potential sealing intervals. Integrated with geologic and reservoir modeling, these datasets form the basis for evaluating storage capacity, injectivity, and containment.

20 FOSSIL-FUELED POWER PLANTS

Tandem Photovoltaics Core Program Final Technical Report

The Tandem Photovoltaics Core Program was a multi-year initiative aimed at advancing hybrid tandem solar cell technologies to enhance solar module efficiency beyond the limits of single junction devices. This project focused on the development, testing, and scaling of prototype photovoltaic devices, with the goal of achieving commercial relevance and driving industry adoption. The work was divided into three tasks: 1) Comparative Analysis of Tandem Technologies: This task focused on quantifying energy yield under real-world conditions and assessing economic viability of tandems relative to silicon-based modules. The project's modeling framework incorporated performance data, cost of materials, and manufacturing process impacts to optimize tandem designs 2) Tandem Integration and Prototyping: In this task, we developed innovative tandem designs by combining metal halide perovskite (MHP) top cells and silicon (Si) bottom cells. The project focuses on both mechanical integration and direct deposition techniques to enable compatibility with commercially relevant Si technologies, such as passivated contact or PERC cells. 3) Scale-up and Reliability: This task addressed the challenges of large-area fabrication by developing scalable deposition methods and robust interconnection schemes for tandems. The project looked at different accelerated testing such as thermal cycling, damp heat exposure, and potential induced degradation, to ensure long-term stability of devices in field conditions. Tandem solar cells can greatly increase module efficiency beyond conventional single junction (SJ) devices, which are approaching their theoretical limit. There are many ways to fabricate a tandem cell or module in terms of materials used, configuration, and terminal connection. This SETO core project focused critical factors in enabling tandems to enter the market, including hardware integration, technoeconomic analysis (TEA), and energy yield analysis. We focused on MHP/Si hybrid tandem solar cells and modules as a model system for their versatility in module design comparisons, providing valuable insights for other tandem options. While champion cells with areas <1cm2 are regularly demonstrated by groups around the world, it is significantly more challenging to translate these advances into modules, and fewer institutions and companies are working at the module level. This project addressed questions about module fabrication, testing, and reliability that are hard to answer without actually fabricating prototypes. We also performed analysis and road-mapping activities to understand the potential for a wider variety of tandems, including all-perovskite tandems fabricated in collaboration with the Perovskite PV core program. Detailed technical results from this project are described for each task in Section 7.

14 SOLAR ENERGY

MRCI Task 3: Facilitating Data Collection, Sharing, and Analysis Final Technical Summary Report

The Midwest Regional Carbon Initiative (MRCI) Task 3.0 was defined to facilitate development of carbon capture, utilization, and storage (CCUS) in the region by collection and sharing of existing and new technical data from CCUS projects and research. The task also included support for further analysis and assessment of tools by the project team and by researchers working on programs such as National Risk Assessment Partnership (NRAP), machine learning (ML) techniques, and assessment and improvement of CCUS site assessment, operations, and monitoring aspects. Work under Task 3.0 addressed key issues related to CCUS deployment and provided foundational research and datasets to help establish CCUS projects in the MRCI. Report Authors and Principal Technical Contributors: Joel Sminchak, Laura Keister, Mackenzie Scharenberg, Priya Ravi-Ganesh, Autumn Haagsma, Srikanta Mishra, Jared Hawkins, Jared Schuetter, Amy Lang, Jaelen Lewis, Derrick James, Jorge Barrios, Stuart Skopec, and Sanjay Mawalkar (Battelle). Chris Korose, Carl Carmen, Nate Grigsby, Nathan Webb (Illinois State Geological Survey). Principal Investigators: Dr Neeraj Gupta, Dr. Chris Korose.

MRCI,NRAP,data collection,data compilation,legacy

Robustness of topological persistence in knowledge distillation for wearable sensor data

Topological data analysis (TDA) has shown great success in various applications involving wearable sensor data. However, there are difficulties in leveraging topological features in machine learning and wearable sensors because of the large time consumption and computational resources required to extract the features. To address this problem, knowledge distillation (KD) is utilized to generate a small model and accommodate topological features with persistence image (PI) representations from the raw time series data. Deploying topological knowledge in KD enables the student to achieve better performance compared to the one trained solely on raw time series data. However, it is not yet known if there are coherent characteristics for topological features in PI, which can aid in improving the performance during KD. In this paper, we investigate the suitability and challenges of utilizing topological features in KD for wearable sensor data, thereby contributing to the advancement of the field. Our study explores the impact of transferred topological features by comparing the Teacher-to-Student framework with Multiple Teachers-to-Student where teachers utilize both time series data and persistence images obtained by TDA as inputs. Additionally, we conduct a rigorous examination of topological knowledge effects by testing under various corruptions, knowledge types, and learning strategies in the context of human activity recognition tasks. Our analysis of topological features in KD presents the optimal strategy for incorporating these features. This study includes datasets of varying scales, window lengths, and activity classes, providing a comprehensive evaluation. Our results demonstrate that leveraging topological features in KD to enhance performance across databases.

97 MATHEMATICS AND COMPUTING

Implementation of compound refractive lenses for large field-of-view x-ray phase-contrast imaging during hypervelocity impact experiments

Synchrotron x-ray phase-contrast imaging (XPCI) offers time-resolved visualization of dynamic compression phenomena, but its intrinsically small field-of-view (FOV) limits the time that key features remain in frame. A novel approach to enlarge the FOV is achieved by positioning a two-dimensional parabolic compound refractive lens (CRL) upstream of the sample to deliberately defocus the white beam. Ray-tracing simulations and XPCI measurements show that this CRL configuration can expand the beam by ∼50% vertically and ∼15% horizontally based on the full width at half-maximum of the beam. Implementing the CRL, however, attenuates the photon flux and lowers signal-to-noise ratio (SNR). Task-based analysis using a calibration grid (30 μm dots) showed that both setups fail to consistently meet the Rose criterion (SNR ≥ 5) for features of this size in single-bunch imaging. Extrapolating the measured SNR Rose values suggests that the minimum consistently detectable feature lies closer to 30–40 μm for the standard XPCI setup and above 40 μm for CRL-XPCI. Despite this limitation, the CRL configuration nearly doubles the illuminated area, enabling simultaneous tracking of front and rear observations of boron carbide targets subjected to rod and sphere impacts at 1.0–2.6 km/s. Image tracking algorithms and photonic Doppler velocimetry were used to measure penetration and rear-surface velocity histories. Together, these measurements capture crack fronts, penetration, and material breakout, offering new benchmark data for validating high-strain-rate constitutive models of ceramic materials.

Ceramic materials

IRIS: A Performance-Portable Framework for Cross-Platform Heterogeneous Computing

From edge to exascale, computer architectures are becoming more heterogeneous and complex. The systems typically have fat nodes, with multicore CPUs and multiple hardware accelerators such as GPUs, FPGAs, and DSPs. This complexity is causing a crisis in programming systems and performance portability. Several programming systems are working to address these challenges, but the increasing architectural diversity is forcing software stacks and applications to be specialized for each architecture. As we show, all of these approaches critically depend on their software framework for discovery, execution, scheduling, and data orchestration. To address this challenge, we believe that a more agile and proactive software framework is essential to increase performance portability and improve user productivity. To this end, we have designed and implemented IRIS: a performance-portable framework for cross-platform heterogeneous computing. IRIS can discover available resources, manage multiple diverse programming platforms (e.g., CUDA, Hexagon, HIP, Level Zero, OpenCL, OpenMP) simultaneously in the same execution, respect data dependencies, orchestrate data movement proactively, and provide for user-configurable scheduling. To simplify data movement, IRIS introduces a shared virtual device memory with relaxed consistency among different heterogeneous devices. IRIS also adds an automatic kernel workload partitioning technique using the polyhedral model so that it can resize kernels for a wide range of devices. Our evaluation on three architectures, ranging from Qualcomm Snapdragon to a Summit supercomputer node, shows that IRIS improves portability across a wide range of diverse heterogeneous architectures with negligible overhead.

97 MATHEMATICS AND COMPUTING

Exxon Mobil-NETL Testing of DAC Materials

This joint initiative is aimed at extending our understanding of real DAC testing conditions at the NETL DAC testbed facility. Of particular focus will be: • Small Scale testing of powdered and formulated materials (supplied by ExxonMobil) to evaluate various performance metrics under DAC process cycles • Pilot scale testing of formulated materials at larger scales ExxonMobil will work with NETL to shake down equipment, validate testing methods, and define best practices for data analysis. Three tasks are proposed: 1. Validation of multi-cycle test data on powdered and formulated materials to benchmark various performance metrics of these materials. 2. Steam regeneration of powdered samples at small scale to define baseline performance under commercially relevant conditions. 3. Pilot scale testing of larger formulated materials to test commercially relevant samples under actual process cycles.

36 MATERIALS SCIENCE

Energy Auditor and Quality Control Inspector Certification Updates

This presentation discusses recent and future Home Energy Professional credential and resource updates at the National Renewable Energy Laboratory in support to the U.S Department of Energy's Weatherization Assistance Program (WAP). It will provide an in-depth overview of planned improvements to the EA and QCI certification schemes.

certification

Enhancing Electron Microscopy Image Classification Using Data Augmentation

Manual labeling for machine learning tasks such as image classification is tedious and labor-intensive; as a result, scientific datasets suitable for deep learning applications are scarce and limited. While data augmentation techniques have shown promise for extending image datasets, very little work has been done to understand the impact of combining multiple augmentation methods sequentially or the limits of their effectiveness when combined. Our work addresses this gap by examining how standard and combinatorial data augmentation affects the performance of machine learning models when trained on small datasets for label classification tasks. For our analysis, we generate single, double and quadruple-augmented datasets for a microscopy image classification task using six standard augmentation methods, and compare the resultant improvements observed in binary classification accuracy with three standard image classification models (DenseNet169, MobileNetV2, ResNet101V2). Our experiments show a non-monotonic relationship between the number of simultaneous augmentation methods and classification accuracy, indicating that there is a trade-off between the degree of augmentation and the model performance. These findings suggest that the optimal number of augmentation methods will vary by domain and use case. We also find that the order in which augmentation methods are applied to a limited dataset matters when combining augmentation schemes, with our use case showing performance differences up to 2.6% when the augmentation order is reversed for double-augmented datasets. Our work offers insights to the limits of data augmentation when working on image classification tasks with limited datasets.

Welsman, Jordan A

Numerical Evaluation of Effective Thermal Conductivity of PCM with Metal Foam Incorporating Buoyancy Effects for Thermal Energy Storage

The thermal energy storage (TES) system has the capability to efficiently preserve thermal energy directly derived from the energy source, minimizing any conversion losses. Especially latent heat storage offers distinct advantages, including a substantial increase in energy storage density and minimization of temperature fluctuations within the plants. However, the phase change material (PCM) employed in latent heat storage has low thermal conductivity. Consequently, various studies are being conducted to enhance heat transfer. One approach to enhance heat transfer involves utilizing metal foam to maximize the heat transfer area. However, modeling metal foam with its intricate structure is a challenging task in numerical analysis. For this reason, ongoing research focuses on simplifying the modeling of metal foam. Nevertheless, fully encompassing all the characteristics of actual metal foam proves to be a challenging task for the simplified analytical model. The objective of this paper is to interpret the simple lattice metal foam analysis model from the perspective of behavior induced by buoyancy. When comparing the analysis results of solid PCM and liquid PCM with the same thermal conductivity under changes in porosity and gravity direction, we conducted an analysis to discern the trends in effective thermal conductivity that are overestimated due to convection. In the analysis, a constant heat flux of 10 kW and a constant surface boundary condition of 350 K were applied, and a sensitivity study regarding the mesh was conducted. The results indicate that, from the perspective of gravity in the simple lattice model, the solid analysis yields an effective thermal conductivity 29-47% higher compared to the liquid analysis. Additionally, as porosity increases, there is an observed increase of 24-33% in effective thermal conductivity.

25 ENERGY STORAGE

Accurate and Data‐Efficient Micro X‐ray Diffraction Phase Identification Using Multitask Learning: Application to Hydrothermal Fluids

Traditional analysis of highly distorted micro X‐ray diffraction (μ‐XRD) patterns from hydrothermal fluid environments is a time‐consuming process, often requiring substantial data preprocessing and labeled experimental data. Herein, the potential of deep learning with a multitask learning (MTL) architecture to overcome these limitations is demonstrated. MTL models are trained to identify phase information in μ‐XRD patterns, minimizing the need for labeled experimental data and masking preprocessing steps. Notably, MTL models show superior accuracy compared to binary classification convolutional neural networks. Additionally, introducing a tailored cross‐entropy loss function improves MTL model performance. Most significantly, MTL models tuned to analyze raw and unmasked XRD patterns achieve close performance to models analyzing preprocessed data, with minimal accuracy differences. This work indicates that advanced deep learning architectures like MTL can automate arduous data handling tasks, streamline the analysis of distorted XRD patterns, and reduce the reliance on labor‐intensive experimental datasets.

97 MATHEMATICS AND COMPUTING

wastewater_virus

This repo contains software used to clean and assemble high-throughput sequencing data containing viruses. The input is raw illumina sequencing reads and the output is a database of high-quality viral genomes. The specific application is to wastewater viral concentrates but it is not restricted to that sample type. The software is composed of Nextflow workflows and a set of custom Python and bash scripts that call publicly available bioinformatics tools to accomplish obvious tasks in data analysis in a high performance computing environment. For detailed information, please see the repo's README file.

Kantor, Rose [Lawrence Livermore National Laborato

ExaWorks software development kit: a robust and scalable collection of interoperable workflows technologies

Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different types of tasks (e.g., simulation, analysis, and learning) that need to be mapped, scheduled, and launched on different computing. That requires a software stack that enables users to code their workflows and automate resource management and workflow execution. Currently, there are many workflow technologies with diverse levels of robustness and capabilities, and users face difficult choices of software that can effectively and efficiently support their use cases on HPC machines, especially when considering the latest exascale platforms. We contributed to addressing this issue by developing the ExaWorks Software Development Kit (SDK). The SDK is a curated collection of workflow technologies engineered following current best practices and specifically designed to work on HPC platforms. We present our experience with (1) curating those technologies, (2) integrating them to provide users with new capabilities, (3) developing a continuous integration platform to test the SDK on DOE HPC platforms, (4) designing a dashboard to publish the results of those tests, and (5) devising an innovative documentation platform to help users to use those technologies. Our experience details the requirements and the best practices needed to curate workflow technologies, and it also serves as a blueprint for the capabilities and services that DOE will have to offer to support a variety of scientific heterogeneous workflows on the newly available exascale HPC platforms.

97 MATHEMATICS AND COMPUTING

Demystifying the Resilience of Large Language Models: An End-to-End Perspective

Deep neural networks are known to be resilient to random bit-wise faults in their parameters. However, this resilience has primarily been established through evaluations of classification models. The extent to which this claim holds for large-language models remains underexplored. In this work, we conduct an extensive measurement study on the impact of random bitwise faults in commercial-scale language models. We perform an in-depth analysis of the resulting generation outputs. We first expose that these language models are not truly resilient to random bit-flips. While aggregate metrics such as accuracy may suggest resilience, an in-depth inspection of the generated outputs shows significant degradation in text quality. Our analysis also shows that tasks requiring more complex reasoning suffer more from performance and quality degradation. Moreover, we extend our analysis to models with augmented reasoning capabilities, such as Chain-of-Thought or Mixture of Experts architectures, and characterize their failure scenarios under random bit-flips.

Sun, Yu

MRCI Subtask 2.4/2.5: Regional/Subregional Analysis and Risk Assessment Final Technical Summary Report

The objective of the Midwest Regional Carbon Initiative (MRCI) project is to implement a collaborative Regional Initiative (RI) to accelerate the deployment of carbon capture, and storage (CCS) in the Midwest-Northeastern quadrant of the United States. This report is a Technical Summary report describing work performed on Tasks 2.4 (Conducting Regional/Subregional Analysis) and 2.5 (Assessing and Managing Risk) during the MRCI project. In Task 2.4, detailed numerical reservoir simulation models were developed for selected carbon storage (CS) systems identified under Task 2.1 (Battelle, 2021a) in the MRCI study area. The objective of Task 2.4 is to demonstrate a dynamic modeling methodology for evaluating the suitability of the (selected) CS systems in the MRCI region for hosting a commercial-scale storage project. In this study, CO2 injectivity was evaluated for different CS systems with an annual injection rate of 1 million metric tonnes (MMT) of CO2 considered as the minimum requirement for a commercial scale project. The objective of Task 2.5 is to assess key risks associated with storing CO2 in the different CS systems across the MRCI region and to demonstrate a method(s) for assessing these risks that may be used by developers of future CO2 storage projects in the region. The risk analysis was limited to evaluating two types of leakage risks (i.e., wellbore leakage, flow across unfractured caprock) at three modeled sites considered in Task 2.4.

MRCI,Report,Summary,Technical Challenges,dynamic m

SMART Task 6: Evaluation of the Costs of Geologic CO2 Storage for the Illinois Basin Decatur Project Site Using the NRAP/SMART Technoeconomic and Liability Evaluation for Storage (TALES) Model

This is a presentation featuring an analysis related to SMART Task 6 in which CO2 storage costs are presented. The National Energy Technology Laboratory has developed the NRAP/SMART Technoeconomic and Liability Evaluation for Storage (TALES) model to provide quantitative cost-based insights to support developers planning CO2 injection and storage projects. TALES calculates the revenues, costs, and financial performance of candidate CO2 saline storage project based on site-specific activity costs and financial parameters. TALES is being integrated as a module pertaining to storage cost as part of the broader SMART Visualization and Decision Support Platform (SVDSP). In this study, the TALES model was applied using real activity cost data associated with the development and operations at the Illinois Basin Decatur Project (IBDP) CO2 storage project site. Scenario analysis was implemented in which crucial operational and cost attributes were varied and the associated cost implications observed. Key results data and project cost summary metrics like first-year breakeven price of CO2 ($/tonne) and net present value (NPV) are presented in similar fashion to how they will appear in the SVDSP.

Vikara, Derek

Calorimeter Pileup Deconvolution for Online Trigger Primitives

In high energy physics experiment, as the luminosity increases, pile-up issues on detectors such as calorimeters become non-negligible. Deconvolution approaches with mathematic pre-assumptions such as Sparse Representation are developed for data analysis stage. For online computation tasks such as for trigger primitive creation, signal availability is significantly different as in offline data analysis stage, and therefore, different (yet simpler) algorithms should be explored. In this document, several approaches of deconvolution suitable for FPGA implementation are discussed.

Wu, Jin-yuan [Fermilab] (ORCID:0000000344329521)