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At least 739 records · Page 41

Simulating 10,000 Years of Erosion to Assess Nuclear Waste Repository Performance

Long-term environmental performance assessments of natural processes, including erosion, are critically important for waste repository site evaluation. Yet, assessing a site’s ability to continuously function is challenging due to parameter uncertainty and compounding nonlinear processes. In lieu of unavailable site data for model calibration, we present a workflow to include multiple sources of surrogate data and reduced-order models to validate parameters for a long-term erosion assessment of a low-level radioactive nuclear waste repository. We apply this new workflow to a low-level waste repository on mesas in Los Alamos National Laboratory in New Mexico. To account for parameter uncertainty, we simulate high-, moderate-, and low-erosion cases. The assessment extends to 10,000 years, which results in large erosion uncertainties, but is necessary given the nature of the interred waste. Our long-term erosion analysis shows that high-erosion scenarios produce rounded mesa tops and partially filled canyons, diverging from the moderate-erosion case that results in gullies and sharp mesa rims. Our novel model parameterization workflow and modeling exercise demonstrates the utility of long-term assessments, identifies sources of erosion forecast uncertainty, and demonstrates the utility of landscape evolution model development. We end with a discussion on methods to reduce assessment uncertainty and increase model confidence.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Requirements for Cataloging Hanford Geophysical Datasets

Environmental management activities at the Hanford Site produce extensive data about site conditions, contaminants, cleanup, and more. Managing and archiving that data requires a high degree of collaboration among site contractors and a high level of awareness by project managers and staff. Part of that effort is developing a Hanford Environmental Information and Data Index (HEIDI) to organize the data and maximize its value by making it findable and available for reuse. The objective is to catalog the disparate data sets collected to address the evolving needs of planning, executing, and documenting cleanup over several decades up to the present day, including links to active data sources when available. A properly implemented data catalog makes finding environmental datasets related to an area or theme a routine, reliable process, without requiring the searcher to have special knowledge that a data set exists and where it may be stored. In this project, a working group, including the U.S. Department of Energy, the Hanford Site contractors, and Pacific Northwest National Laboratory staff, identified needs and requirements for handling complex site data. Geophysical data was chosen as a test case because it can be large and complex and often involves multiple processing steps to extract the information incorporated into deliverables. The ability to document those steps was one of the requirements identified for the catalog. In addition to developing requirements, other activities included selecting a metadata schema and initial testing with the objective of determining whether the workflow and capabilities of selected data catalog software platforms were sufficient to implement and impose the identified requirements. This initial testing involved running the default catalog instance using the software platform of interest and altering the configuration to achieve each requirement, if possible. Where configuration alone was insufficient, the possibility of modifying the software by changing the code was examined, but not implemented. A follow-on task is planned to reprogram the code as necessary to implement requirements in a prototype catalog.

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An Open-source Llm Enhanced-tool Specialized In Helping Moose Related Problems And Tasks

MOOSEenger is an open-source, terminal-first chat application for the MOOSE ecosystem that couples specialized parsing of MOOSE documentation and “.i” input files with retrieval-augmented generation to deliver grounded answers about multiphysics modeling and workflows. It includes dedicated readers for MOOSE-style HTML and a pyhit-based parser that uses the MOOSE syntax tree to preserve block structure and attach retrieval metadata. A data-ingestion pipeline performs semantic chunking into atomic facts and stores them hierarchically in a local Chroma vector database that maintains parent–child relationships across documents; the system can ingest directories, individual files, and single-page web content, and it provides CRUD operations (insert, update, delete) to manage the corpus. At query time, relevant chunks are embedded, retrieved, and fused into the model context, with interactive features such as token streaming, persistent chat history, and dynamic RAG (retrieval triggered by user input or intermediate model output). Deployment is flexible: MOOSEenger runs with local Ollama models or remote Hugging Face/OpenAI backends—typically coordinating generation, lightweight tagging/summarization, and embeddings across three models—and it also supports a server mode and integration with the VS Code Continue interface.

Li, Mengnan [Idaho National Laboratory (INL), Idah↗

Equitable Energy Metrics for Integration into Building Performance Standard Tracking Platforms: Preprint

Building Performance Standards (BPS) are being adopted globally and in the United States of America, where 14 different states and jurisdictions have a policy in place and many others are under development (Department of Energy (DOE) 2023). Accurate and equitable data sources are essential to make informed decisions about focusing investment on upgrading buildings to meet jurisdictional goals. There have been multiple new tools developed related to Energy Equity and Environmental Justice (EEEJ) and the resulting datasets need to be integrated into large building port-folios for quick access and better scalability. Integrating EEEJ data in a user-friendly format can help decision makers more quickly assess impacts and analyze the multitude of potentially significant metrics for which there is not yet consensus. In the U.S. and Canada, many BPS ordinances rely primarily on ENERGY STAR Portfolio Manager (ESPM) to capture building characteristics and energy and water consumption data. These datasets can then be imported into city-specific building tracking tools like the Standard Energy Efficiency Data Platform (SEED). Crucially, BPS decision makers require an efficient means of identifying buildings in priority communities to effectively allocate resources and funding. This process must integrate seamlessly with existing jurisdictional toolsets for optimal utility. This paper will demonstrate, for the case of Washington D.C.'s (the District) data, a workflow that provides actionable data for building upgrade investment prioritization in disadvantaged communities.

BPS↗

Efficient Optimization of Energy Recovery From Geothermal Reservoirs With Recurrent Neural Network Predictive Models

Improving the long-term energy production performance of geothermal reservoirs can be accomplished by optimizing field development and management plans. Reliable prediction models, however, are needed to evaluate and optimize the performance of the underlying reservoirs under various operation and development strategies. In traditional frameworks, physics-based simulation models are used to predict the energy production performance of geothermal reservoirs. However, detailed simulation models are not trivial to construct, require a reliable description of the reservoir conditions and properties, and entail high computational complexity. Data-driven predictive models can offer an efficient alternative for use in optimization workflows. This paper presents an optimization framework for net power generation in geothermal reservoirs using a variant of the recurrent neural network (RNN) as a data-driven predictive model. The RNN architecture is developed and trained to replace the simulation model for computationally efficient prediction of the objective function and its gradients with respect to the well control variables. The net power generation performance of the field is optimized by automatically adjusting the mass flow rate of production and injection wells over 12 years, using a gradient-based local search algorithm. Two field-scale examples are presented to investigate the performance of the developed data-driven prediction and optimization framework. Furthermore, the prediction and optimization results from the RNN model are evaluated through comparison with the results obtained by using a numerical simulation model of a real geothermal reservoir.

15 GEOTHERMAL ENERGY↗

Scientific Data Compression for Large Scale Computational Fluid Dynamics (CFD) Simulations

This Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and General Electric (GE) investigated methods for reducing the size of large computational fluid dynamics (CFD) simulation datasets using scientific data compression techniques. The work focused on adapting the MultiGrid Adaptive Reduction of Data (MGARD) compression framework and integrating it with high-performance I/O and visualization tools used in CFD workflows. MGARD uses hierarchical multilevel decomposition to enable error-controlled compression of floating-point scientific data while preserving quantities of interest. During the project, MGARD compression was integrated with the ADIOS I/O framework and visualization tools such as ParaView to enable efficient storage, transfer, and analysis of simulation data. The collaboration also explored approaches for improving compression performance for CFD data defined on unstructured meshes. Results demonstrate that scientific data compression can significantly reduce storage requirements and improve data management for large-scale CFD simulations.

97 MATHEMATICS AND COMPUTING↗

Enabling human–infrastructure interfaces for inspection using augmented reality

Decaying infrastructure maintenance cost allocation depends heavily on accurate and safe inspection in the field. New tools to conduct inspections can assist in prioritizing investments in maintenance and repairs. The industrial revolution termed as “Industry 4.0” is based on the intelligence of machines working with humans in a collaborative workspace. Contrarily, infrastructure management has relied on the human for making day-to-day decisions. New emerging technologies can assist during infrastructure inspections, to quantify structural condition with more objective data. However, today’s owners agree in trusting the inspector’s decision in the field over data collected with sensors. If data collected in the field is accessible during the inspections, the inspector decisions can be improved with sensors. New research opportunities in the human–infrastructure interface would allow researchers to improve the human awareness of their surrounding environment during inspections. This article studies the role of Augmented Reality (AR) technology as a tool to increase human awareness of infrastructure in their inspection work. The domains of interest of this research include both infrastructure inspections (emphasis on the collection of data of structures to inform management decisions) and emergency management (focus on the data collection of the environment to inform human actions). This article describes the use of a head-mounted device to access real-time data and information during their field inspection. The authors leverage the use of low-cost smart sensors and QR code scanners integrated with Augmented Reality applications for augmented human interface with the physical environment. This article presents a novel interface architecture for developing Augmented Reality–enabled inspection to assist the inspector’s workflow in conducting infrastructure inspection works with two new applications and summarizes the results from various experiments. The main contributions of this work to computer-aided community are enabling inspectors to visualize data files from database and real-time data access using an Augmented Reality environment.

Maharjan, D.↗

LLNL 5-2428: Fracture Permeability and Seismic Slip Behavior

Our goal is to develop, apply and validate a holistic thermal, hydrologic, mechanical, and chemical (THMC) workflow that also includes evaluation of induced seismic slip in EGS reservoirs. We will integrate experimental and modelling approaches to reduce parameteruncertainty and better predict and mitigate seismic hazard at Utah FORGE and future EGS sites.We propose a novel approach that incorporates 3D physics-based Earthquake simulations in THMC models, herein referred to as “THMC+E” models. This capability will enable improvedengineering decisions at Utah FORGE and move EGS operations toward repeatable, robust, economically viable, and socially accepted development. Utah FORGE management and future EGS operators may employ results of THMC+E models for decision making purposes throughout the lifetime of the field operation. For example, before production well installation, our THMC+E models will predict circulation scenarios and related seismic hazard for a suite ofpossible well locations and flow rates, thus enabling evaluation of optimal production well placement. Such efforts will be conducted throughout the lifetime of the project, whereby additional laboratory experiments will constrain key model parameters and machine learning (ML) will reduce the size of the parameter space and the associated uncertainty. THMC+E simulations will enable exploration various circumstances that may hinder EGS success and develop mitigation strategies.

58 GEOSCIENCES↗

NASA’s Moon Trek Portal: New Capabilities Supporting Mission Planning and Engagement

Introduction: NASA’s Moon Trek (https://trek.nasa.gov/moon/) is one of a growing number of interactive, browser-based, online portals for planetary data visualization and analysis produced by NASA’s Solar System Treks Project (SSTP). Moon Trek continues to be enhanced with new data and new capabilities enabling it to facilitate the planning and conducting of upcoming lunar missions by NASA, its commercial partners, and its international partners, as well as advancing its role as a valuable outreach tool. A Comprehensive Online Web Portal: Developed at NASA’s Jet Propulsion Laboratory (JPL) and managed as a project of NASA’s Solar System Exploration Research Virtual Institute (SSERVI) at NASA Ames Research Center, Moon Trek is a browser-based web portal. The portal provides easy-to-use tools for browsing, data layering, data product blending, and feature search among thousands of data products covering topography, mineralogy, elemental abundance, geology, and much more. Visualizations are provided in var-ious map projections, interactive 3D viewing, and in virtual reality. Using an in-house stereo workflow, SSTP is able to produce new NAC-based high-resolution mosaics and DEMs. Diverse Applications for Lunar Exploration: Baseline analytic tools available to all users include dis-tance measurement, elevation profiling, sun angle calculation, and 3D print file generation. More advanced account-level tools allow users to perform more computationally intensive analyses. These include ray-traced lighting analysis for user-specified areas over user-specified time/date ranges and time intervals, electro-static surface potential analysis, subsetting of large data products, slope analysis, and Lunar Laser Ranging geometry calculation. Artificial intelligence (AI) and ma-chine learning (ML) based tools have been implemented for crater detection and hazard analysis, boulder detection and hazard analysis, and rockfall detection. New Tools Facilitating Exploration: Additional, new tools have recently been added and others are in development, offering even greater functionality in con-ducting analyses of potential landing sites and areas of surface operations. The new Line-of-Sight tool facilitates communications planning between locations on the lunar surface, between any given site on the lunar surface and a specified ground station on the Earth, and between a site on the lunar surface and a relay asset in lunar orbit, all taking into account local lunar topography. The new Data Plotter tool provides both tabular and graphical representations of pixel values along a user specified path for a growing number of data products. The new NAC Finder tool will identify and pro-vide access to NAC images that intersect a user-defined path or bounded area. The SSTP development team is looking to leverage the capabilities of its existing AI and ML crater, boulder, and rockfall detection and analysis tools, and extend that technology to a generalized feature detector that can be trained on instances of specific types of landforms and then search the lunar surface for more examples of such features. New traverse planning tools are being developed with use cases in generalized concept studies and specific mission planning in mind. These will facilitate finding optimal traverse paths based on constraints such as slope, lighting, hazard avoidance, and communications. These will be complemented by new traverse visualization capabilities. Users will be able to interactively ride along with a rover, examining 3D views of the terrain while adjusting camera height and viewing angle along with selecting different data layer overlays to drape across the terrain. Engaging the Public: The capabilities being developed for mission planning are being leveraged to further enhance Moon Trek’s proven utility as a valuable public outreach resource. This includes providing multiple lev-els of engagement with different points of entry. At its simplest level, promoting understanding through visualization, media and the public will be able to easily visualize and conduct their own exploration of lunar sites targeted by NASA and its partners. For a more in-depth experience, we are working with our stakeholders to promote understanding through interaction by extend-ing our current landing site and traverse analysis capabilities, making simplified access to these tools available to those who want to explore more deeply key factors in planning a mission through interactive and possibly even gamified experiences. The highest degree of public outreach, focusing on engagement through scientific participation, could be achieved through our work with missions and the NASA Office of the Chief Scientist on Moon Trek’s extension as a tool with specialized capabilities for facilitating citizen science. In such scenarios, participants become members of extended mis-sion science teams, using dedicated and integrated interfaces to analyze mission data to help answer questions key to lunar science and exploration. We are work-ing with NASA’s Office of Communications, museums, planetariums, and the media to help them easily integrate accurate, detailed visualizations of NASA’s lunar destinations and exploration into their content/productions and to engage diverse audiences in diverse venues.

Moon Trek↗

Novel Carbon Storage Monitoring Methods

Conference presentation at American Institute of Chemical Engineers (AIChE) Annual Meeting, San Diego, California, October 27–31, 2024. We presented a high-level overview of many novel and sustainable carbon storage monitoring methods that are at various stages of planning or demonstration to accelerate the deployment of CCS technologies at future CCS sites across the United States. Our work impacts the general CCS industry by providing novel and more sustainable methods for tracking CO 2 plume migration and performing assurance monitoring. Our work primarily benefits three parties: 1) CCS community members through knowledge sharing of lessons learned; 2) CCS operators through commercialization of additional methods, including improvements on workflows and simplification of fieldwork; and 3) stakeholders of CCS projects through implementation of low-impact and more autonomous monitoring solutions.

02 PETROLEUM↗

MURMoT. Design and Application of Microbial Uranium Reduction Monitoring Tools

Uranium (U) contamination in the subsurface is a major remediation challenge at many DOE sites. Traditional site remedies present enormous costs to DOE; hence, enhanced bioremediation technologies (i.e., biostimulation and bioaugmentation) combined with monitoring efforts are being considered as cost-effective corrective actions to address subsurface contamination. This research effort improved understanding of the microbial U reduction process and developed new tools for monitoring microbial activities. Application of these tools will promote science-based site management decisions that achieve contaminant detoxification, plume control, and long-term stewardship in the most efficient manner. The overarching hypothesis was that the design, validation and application of a suite of new molecular and biogeochemical tools advance process understanding, and improve environmental monitoring regimes to assess and predict in situ U immobilization. Accomplishments: This project (i) advanced nucleic acid-based approaches to elucidate the presence, abundance, dynamics, spatial distribution, and activity of metal- and radionuclide-detoxifying bacteria; (ii) developed proteomics workflows for detection of metal reduction biomarker proteins in laboratory cultures and contaminated site groundwater; (iii) developed and demonstrated the utility of U isotopic fractionation using high precision mass spectrometry to quantify U(VI) reduction for a range of reduction mechanisms and environmental conditions; and (iv) validated the new tools using field samples from U-contaminated IFRC sites, and demonstrated their prognostic and diagnostic capabilities in guiding decision making for environmental remediation and long-term site stewardship.

54 ENVIRONMENTAL SCIENCES↗

Multi-scale Quantitative Risk Analysis of Seabed Minerals: Principles and Application to Seafloor Massive Sulfide Prospects

The potential for mining hydrothermal mineral deposits on the seafloor, such as seafloor massive sulfides, has become technically possible, and some companies (currently not many) are considering their exploration and development. Yet, no present methodology has been designed to quantify the ore potential and assess the risks relative to prospectivity at prospect and regional scales. Multi-scale exploration techniques, similar to those of the play analysis that are used in the oil and gas industry, can help to fulfill this task by identifying the characteristics of geologic environments indicative of ore-forming processes. Such characteristics can represent a combination of, e.g., heat source, pathway, trap and reservoir that all dictate how and where ore components are mobilized from source to deposition. In this study, the understanding of these key elements is developed as a mineral system, which serves as a guide for mapping the risk of the presence or absence of ore-forming processes within the region of interest (the permissive tract). The risk analysis is carried out using geoscience data, and it is paired with quantitative resource estimation analysis to estimate the in-place mineral potential. Resource estimates are simulated stochastically with the help of available data (bathymetric features in this study), conventional grade–tonnage models and Monte Carlo simulation techniques. In this paper, the workflow for a multi-scale quantitative risk analysis, from the definition to the evaluation of a permissive tract and related prospect(s), is described with the help of multi-beam data of a known hydrothermal vent site.

58 GEOSCIENCES↗

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↗

Pufferscale: Rescaling HPC Data Services for High Energy Physics Applications

User-space HPC data services are emerging as an appealing alternative to traditional parallel file systems, because of their ability to be tailored to application needs while eliminating unnecessary overheads incurred by POSIX compliance. The High Energy Physics (HEP) community is progressively turning towards such services to enable high-throughput accesses under heavy concurrency to billions of event data produced by instruments and consumed by subsequent analysis workflows. Such services would benefit from the possibility to be rescaled up and down to adapt to changing workloads, as experimental campaigns progress, in order to optimize resource usage. This paper formalizes rescaling a distributed storage system as a multi objective optimization problem considering three criteria: load balance, data balance, and duration of the rescaling operation. We propose a heuristic for rapidly finding a good approximate solution, while allowing users to weight the criteria as needed. The heuristic is evaluated with Pufferscale, a new rescaling manager for microservice-based distributed storage systems. To validate our approach in a real-world ecosystem, we showcase the use of Pufferscale as a means to enable storage malleability in the HEPnOS storage system for HEP applications.

Distributed Storage System↗

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↗

Urban building energy modeling (UBEM) tools: A state-of-the-art review of bottom-up physics-based approaches

Regulations corroborate the importance of retrofitting existing building stocks or constructing new energy-efficient districts. There is, thus, a need for modeling tools to evaluate energy scenarios to better manage and design cities, and numerous methodologies and tools have been developed. Among them, Urban Building Energy Modelling (UBEM) tools allow the energy simulation of buildings at large scales. Choosing an appropriate UBEM tool, balancing the level of complexity, accuracy, usability, and computing needs, remains a challenge for users. The review focuses on the main bottom-up physics-based UBEM tools, comparing them from a user-oriented perspective. Five categories are used: (i) the required inputs, (ii) the reported outputs, (iii) the exploited workflow, (iv) the applicability of each tool, and (v) the potential users. Moreover, a critical discussion is proposed, focusing on interests and trends in research and development. The results highlighted major differences between UBEM tools that must be considered to choose the proper one for an application. Finally, barriers of adoption of UBEM tools include the needs of a standardized ontology, a common three-dimensional city model, a standard procedure to collect data, and a standard set of test cases. This feeds into future development of UBEM tools to support cities’ sustainability goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Flexible HPC Environments [Poster]

New computational paradigms require new tools and environments. A new class of data-analysis tools are available for scientists. These tools do not integrate well with traditional HPC resource management systems. Differing and often conflicting requirements exist. Some fields require validated environments including high energy physics and cosmology. By adopting cloud technologies in an HPC environment we are merging the compute-intensive and data-intensive worlds in one converged system. HPC Systems will support a Larger Set of Technologies. Scientists will be able to leverage the latest tools on HPC resources at previously unavailable scales. User-defined environments will enable rapid experimentation and adoption of emerging tools. HPC systems will support a consolidated workflow from simulation to analysis and discovery. HPC systems will have increased utility to a broader set of users.

97 MATHEMATICS AND COMPUTING↗

Nuclear Global Talent Development Program (Final Report)

Lawrence Livermore National Laboratory (LLNL) have developed sorption database named as L-SCIE (LLNL Surface Complexation/Ion Exchange). This framework (L-SCIE) includes not only a community database of sorption data but also a fitting workflow to produce optimized surface complexation reaction constants. Through this fellowship program we have updated the L-SCIE database for selenium (Se) sorption and potentiometric titration data of iron oxides. In addition, the relevant surface complexation models (SCMs) have been updated and details in model construction are given in the following section.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗