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DOE OSTI2025

Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics

Ion sorption extent and mechanism depend in part on the mineral surface termination, which can be highly complex. Variations in surface functional groups, particularly with defect density and surface roughness, influence mineral reactivity towards solutes. In this work, we investigate the adsorption of a rubidium cation (Rb + ) at pristine and defect quartz (101) surface sites using well-tempered metadynamics, based on simulations with the quantum chemical density-functional tight-binding (DFTB) method. We compare the relative energetics of Rb + adsorption across selected sites for each surface, with nanosecond-level sampling, highlighting similarities between vicinal and geminal silanol sites. We find that the positive Rb + partial atomic charge can increase by as much as 0.5e as it approaches the surface, with implications for modulation of ion adsorption strength and extent at the quartz (101) surface with surface vacancies, silanol coverage, and charge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

Research and Educational Opportunities with NASA GSFC

The research carried out in the Earth sciences at NASA's Goddard Space Flight Center will be the focus of the presentation. These research interests span the full breath of disciplines in Earth System Science. Branches and research groups focus on areas as diverse as planetary geomagnetics and atmospheric chemistry. There are 4 major laboratories in the directorate and 2 organizations that focus on scientific information technology. These laboratories focus on atmospheric sciences (atmospheric chemistry, climate and radiation, regional processes, atmospheric modeling), hydrological sciences (snow, ice, oceans, and seasonal-to-interannual prediction), terrestrial physics (geology, terrestrial biology, land-atmosphere interactions, geophysics), climate modeling (global warming, greenhouse gases, climate change). Two of the labs also have branches that focus on sensor development especially using lidar and microwave technologies. In the information technologies, areas of scientific and technical research, and expertise include massively parallel computers, technologies for high speed electronic networks, scientific visualization, information systems, archive and distribution systems, and information processing. Examples will be presented from each of these research disciplines.

Meeson, Blanche W.↗

DOE OSTI2021

Reproducibility Practice in High-Performance Computing: Community Survey Results

The integrity of science and engineering research is grounded in assumptions of rigor and transparency on the part of those engaging in such research. HPC community effort to strengthen rigor and transparency take the form of reproducibility efforts. In a recent survey of the SC conference community, we collected information about the SC Reproducibility Initiative activities. Here, we present the survey results in this paper. Results show that the reproducibility initiative activities have contributed to higher levels of awareness on the part of SC conference technical program participants, and hint at contributing to greater scientific impact for the published papers of the SC conference series. Stringent point-of-manuscript-submission verification is problematic for reasons we point out, as are inherent difficulties of computational reproducibility in HPC. Future efforts should better decouple the community educational goals from goals that specifically strengthen a research work's potential for long-term impact through reuse 5-10 years down the road.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Mahakala: A Python-based Modular Ray-tracing and Radiative Transfer Algorithm for Curved Spacetimes

We introduce Mahakala, a Python-based, modular, radiative ray-tracing code for curved spacetimes. We employ Google's JAX framework for accelerated automatic differentiation, which can efficiently compute Christoffel symbols directly from the metric, allowing the user to easily and quickly simulate photon trajectories through non-Kerr spacetimes. JAX also enables Mahakala to run in parallel on both CPUs and GPUs. Mahakala natively uses the Cartesian Kerr–Schild coordinate system, which avoids numerical issues caused by the pole in spherical coordinate systems. We demonstrate Mahakala's capabilities by simulating 1.3 mm wavelength images (the wavelength of Event Horizon Telescope observations) of general relativistic magnetohydrodynamic simulations of low-accretion rate supermassive black holes. The modular nature of Mahakala allows us to quantitatively explore how different regions of the flow influence different image features. We show that most of the emission seen in 1.3 mm images originates close to the black hole and peaks near the photon orbit. We also quantify the relative contribution of the disk, forward jet, and counterjet to 1.3 mm images.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

iSPECTRON: a simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software

We introduce iSPECTRON, an open source (under the Educational Community License version 2.0) program that parses data from common quantum chemistry software (NWChem, OpenMolcas, Gaussian, Cobramm, etc.), produces the input files for the simulation of linear and nonlinear spectroscopy of molecules with the Spectron code, and analyzes the spectra with a broad range of tools. Vibronic spectra are expressed in term of the electronic eigenstates, obtained through quantum chemistry computations, and vibrational/bath effects are incorporated in the framework of the displaced harmonic oscillator model, where all required quantities are computed at the Franck-Condon point. The code capabilities are illustrated by simulating linear absorption, transient absorption and two dimensional electronic spectra of the pyrene molecule. Two levels of electronic structure theory, TDDFT (with NWChem) and RASSCF/RASPT2 (with OpenMolcas), are compared where possible. Acknowledgements: F.S., A.N., D.R.N., N.G., S.M, M.G. acknowledge support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division under Award Nos. DE-SC0019484, KC-030103172684. The Spectron code was developed with support from the National Science Foundation (Grant CHE- 1953045). This research benefited from computational resources provided by EMSL, a DOE Office of Science User Facility sponsored by the Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle Memorial Institute for the United States Department of Energy under DOE Contract No. DE-AC05-76RL1830.

Segatta, Francesco↗

DOE OSTI2025

Protein Data Bank (PDB): Fifty-three years young and having a transformative impact on science and society

This review article describes the co-evolution of structural biology as a discipline and the Protein Data Bank (PDB), established in 1971 as the first open-access data resource in biology by like-minded structural scientists. As the PDB archive grew in size and scope to encompass macromolecular crystallography, NMR spectroscopy, and cryo-electron microscopy, new technologies were developed to ingest, validate, curate, store, and distribute the information. Community engagement ensured that the needs of structural biologists (data depositors) and data consumers were met. Today, the archive houses more than 230,000 experimentally determined structures of proteins, nucleic acids, and macromolecular machines and their complexes with one another and small-molecule ligands. Aggregate costs of PDB data preservation are ~1% of the cost of structure determination. The enormous impact of PDB data on basic and applied research and education across the natural and medical sciences is presented and highlighted with illustrative examples. Enablement of de novo protein structure prediction (AlphaFold2, RoseTTAfold, OpenFold, etc.) is the most widely appreciated benefit of having a corpus of rigorously validated, expertly curated 3D biostructure data.

bioinformatics↗

DOE OSTI2021

The CanBikeCO Mini Pilot: Preliminary Results and Lessons Learned

In fall 2020, the Colorado Energy Office, as part of the State of Colorado’s “Can Do Colorado” initiative, initiated a project aimed at encouraging energy-efficient transportation during the COVID-19 pandemic. The initial mini-pilot provided e-bikes to 13 low-income households under an individual ownership model. This report assesses the impact of providing this additional mobility option on the travel behavior of participants. It also outlines the lessons learned from deploying a continuous monitoring platform to track the travel behavior. These lessons will influence the evaluation component for the full pilot, which will cover multiple geographic regions, starting in summer 2021, and run for 2 years. The continuous data collection was enabled by a customized version of the open-source e-mission platform, called CanBikeCO, configured with a behavioral gamification feature. The Colorado Energy Office used this system to collect a unique data set consisting of 3 months of partially automated travel diaries, combining sensed and surveyed data and linked with demographic information, from 12 participants. The data collection process worked well overall: users generally liked the app, appreciated the game, and did not complain about battery life. The long tracking period introduced behavioral challenges in user engagement, which we plan to address using repeated patterns and automated status checks for the full pilot. The analysis results, based on the subset of trips with user-reported labels (68%), indicate that the e-bike was the dominant commute mode share (31%), in sharp contrast to the census bicycle commute mode share (<1%). E-bike trips primarily replaced single-occupancy vehicle (SOV) trips (28%), followed closely by walking (24%) and regular bike (20%). The nonmotorized mode replacement corresponds to lower travel time and increased productivity enabled by the program. The emissions impact analysis of the program, computed using trip-level energy intensity factors, indicates savings of 1,367 lbs. of CO 2 . Although the results are strongly positive, the narrow demographic profile of study participants, their limited mobility alternatives, and nonuniform labeling indicate caution in broader interpretation. These preliminary results do suggest that such programs, supported by real-time education and support from program managers, can simultaneously meet equity and sustainability goals. The planned full pilot, addressing the data collection challenges and broadening the geographic scope, will provide additional insights into the generality of this approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2004

Spaceflight Operations Services Grid (SOSG)

In an effort to adapt existing space flight operations services to new emerging Grid technologies we are developing a Grid-based prototype space flight operations Grid. This prototype is based on the operational services being provided to the International Space Station's Payload operations located at the Marshall Space Flight Center, Alabama. The prototype services will be Grid or Web enabled and provided to four user communities through portal technology. Users will have the opportunity to assess the value and feasibility of Grid technologies to their specific areas or disciplines. In this presentation descriptions of the prototype development, User-based services, Grid-based services and status of the project will be presented. Expected benefits, findings and observations (if any) to date will also be discussed. The focus of the presentation will be on the project in general, status to date and future plans. The End-use services to be included in the prototype are voice, video, telemetry, commanding, collaboration tools and visualization among others. Security is addressed throughout the project and is being designed into the Grid technologies and standards development. The project is divided into three phases. Phase One establishes the baseline User-based services required for space flight operations listed above. Phase Two involves applying Gridlweb technologies to the User-based services and development of portals for access by users. Phase Three will allow NASA and end users to evaluate the services and determine the future of the technology as applied to space flight operational services. Although, Phase One, which includes the development of the quasi-operational User-based services of the prototype, development will be completed by March 2004, the application of Grid technologies to these services will have just begun. We will provide status of the Grid technologies to the individual User-based services. This effort will result in an extensible environment that incorporates existing and new spaceflight services into a standards-based framework providing current and future NASA programs with cost savings and new and evolvable methods to conduct science. This project will demonstrate how the use of new programming paradigms such as web and grid services can provide three significant benefits to the cost-effective delivery of spaceflight services. They will enable applications to operate more efficiently by being able to utilize pooled resources. They will also permit the reuse of common services to rapidly construct new and more powerful applications. Finally they will permit easy and secure access to services via a combination of grid and portal technology by a distributed user community consisting of NASA operations centers, scientists, the educational community and even the general population as outreach. The approach will be to deploy existing mission support applications such as the Telescience Resource Kit (TReK) and new applications under development, such as the Grid Video Distribution System (GViDS), together with existing grid applications and services such as high-performance computing and visualization services provided by NASA s Information Power Grid (IPG) in the MSFC s Payload Operations Integration Center (POIC) HOSC Annex. Once the initial applications have been moved to the grid, a process will begin to apply the new programming paradigms to integrate them where possible. For example, with GViDS, instead of viewing the Distribution service as an application that must run on a single node, the new approach is to build it such that it can be dispatched across a pool of resources in response to dynamic loads. To make this a reality, reusable services will be critical, such as a brokering service to locate appropriate resource within the pool. This brokering service can then be used by other applications such as the TReK. To expand further, if the GViDS application is constructed using a services-based mel, then other applications such as the Video Auditorium can then use GViDS as a service to easily incorporate these video streams into a collaborative conference. Finally, as these applications are re-factored into this new services-based paradigm, the construction of portals to integrate them will be a simple process. As a result, portals can be tailored to meet the requirements of specific user communities.

Bradford, Robert N.↗

NASA NTRS2003

Utilization of the Space Vision System as an Augmented Reality System For Mission Operations

Augmented reality is a technique whereby computer generated images are superimposed on live images for visual enhancement. Augmented reality can also be characterized as dynamic overlays when computer generated images are registered with moving objects in a live image. This technique has been successfully implemented, with low to medium levels of registration precision, in an NRA funded project entitled, "Improving Human Task Performance with Luminance Images and Dynamic Overlays". Future research is already being planned to also utilize a laboratory-based system where more extensive subject testing can be performed. However successful this might be, the problem will still be whether such a technology can be used with flight hardware. To answer this question, the Canadian Space Vision System (SVS) will be tested as an augmented reality system capable of improving human performance where the operation requires indirect viewing. This system has already been certified for flight and is currently flown on each shuttle mission for station assembly. Successful development and utilization of this system in a ground-based experiment will expand its utilization for on-orbit mission operations. Current research and development regarding the use of augmented reality technology is being simulated using ground-based equipment. This is an appropriate approach for development of symbology (graphics and annotation) optimal for human performance and for development of optimal image registration techniques. It is anticipated that this technology will become more pervasive as it matures. Because we know what and where almost everything is on ISS, this reduces the registration problem and improves the computer model of that reality, making augmented reality an attractive tool, provided we know how to use it. This is the basis for current research in this area. However, there is a missing element to this process. It is the link from this research to the current ISS video system and to flight hardware capable of utilizing this technology. This is the basis for this proposed Space Human Factors Engineering project, the determination of the display symbology within the performance limits of the Space Vision System that will objectively improve human performance. This utilization of existing flight hardware will greatly reduce the costs of implementation for flight. Besides being used onboard shuttle and space station and as a ground-based system for mission operational support, it also has great potential for science and medical training and diagnostics, remote learning, team learning, video/media conferencing, and educational outreach.

Maida, James C.↗

DOE OSTI2025

Shear and bulk viscosity for a pure glue theory using an effective matrix model

At nonzero temperatures, the deconfining phase transition can be analyzed using an effective matrix model to characterize the change in holonomy. The model includes gluons and two-dimensional ghost fields in the adjoint representation, or “teens.” As ghosts, the teen fields are responsible for the decrease of the pressure as 𝑇 →𝑇 𝑑 , with 𝑇 𝑑 the transition temperature for deconfinement. Using the solution of this matrix model for a large number of colors, the parameters of the teen fields are adjusted so that the expectation value of the Polyakov loop is close to the values from the lattice. The shear, 𝜂, and bulk, 𝜁, viscosities are computed at nonzero holonomy to leading logarithmic order in weak coupling. In the pure glue theory, the value of the Polyakov loop is relatively large in the deconfined phase, ≈1/2 at 𝑇 𝑑 . Consequently, if 𝑠 is the entropy density, while 𝜂/𝑠 decreases as 𝑇 →𝑇 𝑑 , it is still well above the conformal bound. In contrast, 𝜁/𝑠 is largest at 𝑇 𝑑 , comparable to 𝜂/𝑠, then falls off rapidly with increasing temperature and is negligible by ∼2⁢𝑇 𝑑 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Opportunities and Challenges from Artificial Intelligence and Machine Learning for the Advancement of Science, Technology, and the Office of Science Missions

In February 2019, the President signed Executive Order 13859, Maintaining American Leadership in Artificial Intelligence. This order launched the American Artificial Intelligence Initiative, a concerted effort to promote and protect AI technology and innovation in the United States. The Initiative implements a government-wide strategy in collaboration and engagement with the private sector, academia, the public, and like-minded international partners. Among other actions, key directives in the Initiative called for Federal agencies to: Prioritize AI research and development investments, Enhance access to high-quality cyberinfrastructure and data, Ensure that the US maintains an international leadership role in the development of technical standards for AI, and Provide education and training opportunities to prepare the American workforce for the new era of AI. The mission of the Department of Energy (DOE) is to ensure America’s security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. In terms of Science and Innovation, the DOE’s mission is to maintain a vibrant US effort in science and engineering as a cornerstone of our economic prosperity with clear leadership in strategic areas. From July to October in 2019, the Argonne, Oak Ridge, and Berkeley National Laboratories hosted a series of four AI for Science Town Hall meetings in Chicago, Oak Ridge, Berkeley, and Washington DC. The four meetings were attended by over 1300 scientists from the 17 DOE Labs, 39 companies, and over 90 universities. The goal of the Town Hall series was ‘to examine scientific opportunities in the areas of artificial intelligence, Big Data, and high-performance computing (HPC) in the next decade, and to capture the big ideas, grand challenges, and next steps to realizing these.’ The discussions at the meetings were captured in the final report of the AI for Science Town Hall meetings.

42 ENGINEERING↗

NASA NTRS2015

SMC: SCENIC Model Control

NASAs Space Communications and Navigation (SCaN) program manages three active networks: the Near Earth Network, the Space Network, and the Deep Space Network. These networks simultaneously support NASA missions and provide communications services to customers worldwide. To efficiently manage these resources and their capabilities, a team of student interns at the NASA Glenn Research Center is developing a distributed system to model the SCaN networks. Once complete, the system shall provide a platform that enables users to perform capacity modeling of current and prospective missions with finer-grained control of information between several simulation and modeling tools. This will enable the SCaN program to access a holistic view of its networks and simulate the effects of modifications in order to provide NASA with decisional information. The development of this capacity modeling system is managed by NASAs Strategic Center for Education, Networking, Integration, and Communication (SCENIC). Three primary third-party software tools offer their unique abilities in different stages of the simulation process. MagicDraw provides UMLSysML modeling, AGIs Systems Tool Kit simulates the physical transmission parameters and de-conflicts scheduled communication, and Riverbed Modeler (formerly OPNET) simulates communication protocols and packet-based networking. SCENIC developers are building custom software extensions to integrate these components in an end-to-end space communications modeling platform. A central control module acts as the hub for report-based messaging between client wrappers. Backend databases provide information related to mission parameters and ground station configurations, while the end user defines scenario-specific attributes for the model. The eight SCENIC interns are working under the direction of their mentors to complete an initial version of this capacity modeling system during the summer of 2015. The intern team is composed of four students in Computer Science, two in Computer Engineering, one in Electrical Engineering, and one studying Space Systems Engineering.

Simulation↗

DOE OSTI2023

Pillars of Cloud-Based Earth Observation Science Education

Earth observation (EO) is undergoing a paradigm shift with the development of cloud-based analytical platforms supporting EO data collection and access, parallel processing, easier communication of results, and expanded accessibility. As the global community of users and the diversity of applications grow, there is a clear need for expanded educational capacity to leverage these developments and increase the impact of EO research and teaching. Drawing upon extensive conversations between educators, practitioners, and researchers, we propose three pillars that must be prioritized to prepare students, researchers, and professionals to take full advantage of the cloud-based EO paradigm and guide future growth.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

A2SD: Accelerating Scientific Innovation Through Autonomous Discovery Systems

The 2025 Advancing Autonomous Scientific Discovery (A2SD) workshop convened researchers from academia, national laboratories, and industry to explore the transformative role of autonomy in scientific discovery. The workshop highlighted a convergence of artificial intelligence, robotics, and computational workflows into autonomous systems capable of accelerating the scientific process. Presentations and discussions spanned autonomous experimentation, intelligent workflow orchestration, digital twins, and agent-based systems for managing complex research ecosystems. Key challenges discussed included interoperability across heterogeneous infrastructures, near real-time data management under FAIR principles, reproducibility, and the integration of human oversight. The workshop also emphasized the need for modular software interfaces, federated learning models, and education initiatives to support a next-generation scientific workforce.

Taufer, Michela [University of Tennessee, Knoxvill↗

DOE OSTI2021

Energize: An Interactive Evaluation Tool for Engaging the General Public with Energy Decision Making - Final Report

The public has an ever-increasing interest in the economic, environmental, and social impacts of global energy production. To support informed decision making, the scientific community has a responsibility to communicate reliable and straight-forward information to the general public, in an engaging way, regarding energy systems and how choices made at different stages of an energy technology life cycle can impact the cost, amount of materials used, and waste produced. Our objective is to enhance public engagement via an interactive electrical energy game (Energ!ze) through which players interact with one another in their quest to develop an electrical energy portfolio that optimizes economic (e.g., company profit), environmental (e.g., reduced CO 2 emissions), and social (e.g., public opinion) impacts. The design and development of Energ!ze was an iterative process involving an interdisciplinary team of engineers, discipline-based scientists, computer scientists, and education experts. The development objectives were two-fold: (1) Accurate and quantifiable modeling of electrical energy systems and (2) Engaging and interactive user interface within the construct of the game narrative. The major game mechanics in the current playable Energ!ze version focus on economic metrics, and the database is scaffolded to add environmental and social metrics for future versions. This report details the outcome of the funding period (Section 2 and 3) and describes the development process, along with recommendations for future development (Section 4).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Investing in STEM Benefits Community, Company, and Industry - 20243

Like many organizations and groups, the Department of Energy Environmental Management program and the nuclear industry are facing an aging employee population and record numbers of employee retirements. This 'silver tsunami' of retirees means the industry as a whole is recruiting graduates at a fast pace. So, how do we ensure the nuclear industry has a robust pipeline of graduates with the necessary background? Fluor Idaho's investment in science, technology, engineering, and mathematics (STEM) education programs helps promote the next generation of technical professionals, benefiting both the company and the industry. Through community outreach initiatives and student mentoring programs, Fluor Idaho promotes kids' interest in STEM. The programs are designed to spark STEM interest in grade school and then foster and grow that interest through high school and higher education. After igniting student excitement about STEM topics in school, Fluor Idaho focuses on providing work-specific opportunities including mentoring and intern programs. These programs give students a better look at real-world job opportunities while still stimulating their interest in STEM. These programs ultimately provide career opportunities for the students and a pipeline of workers. Fluor Idaho's strategy for its summer interns has been to place students in a wide variety of projects - from the commissioning of a first-of-a-kind nuclear processing facility, to operating nuclear waste management facilities, to developing computer programs and applications - and give them responsibilities that make them feel like valued contributors. This approach has created a positive and rewarding summer-intern program experience for the students. Fluor Idaho's investment in its future today is reducing the knowledge gap - or cliff - that many contractors in the nuclear industry are facing. It's a worthwhile investment that is readily visible within its many cleanup projects. The next generation of technical professionals is making an impact now - benefiting both the company and the nuclear industry. This paper will review Fluor Idaho's programs, including STEM community outreach and education and mentoring programs. It will also present statistics about the reach of those programs and their successes. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

CIE Curriculum Guide (V.2.0)

The Cyber-Informed Engineering (CIE) Curriculum Guide offers a comprehensive framework, guidance, and resources for integrating CIE into university-level engineering programs and related educational activities. The primary goal is to help educators adopt CIE principles into their teaching to produce future engineers and technicians who understand digital risks in modern engineered systems, thereby addressing the nation’s infrastructure resilience needs. This guide outlines practical integration examples, links to resources to accelerate CIE adoption, and shares insights from partner academic institutions on various implementation strategies. CIE is a framework for embedding engineered controls that mitigate the impact of cyber-attacks in any cyber-physical system used in critical energy infrastructure and other sectors. Developed by the U.S. Department of Energy’s Office of Cybersecurity, Energy Security, and Emergency Response (CESER), the National Cyber-Informed Engineering Strategy emphasizes embedding CIE into formal education, training, and credentialing. This guide supports this strategic objective by providing examples of integrating CIE concepts into engineering curricula, from class activities to new courses and certificate programs. The importance of educating cyber-informed engineers is underscored by the evolving cybersecurity threats facing engineered systems. As industrial control systems (ICS) increasingly incorporate digital technologies, the responsibility for security extends to both cyber professionals and engineers. CIE addresses critical gaps in designing and protecting physical systems with digital components against cyber risks, ensuring engineers consider digital risk throughout the engineering design lifecycle. Currently, engineering education does not routinely include cyber-informed principles, highlighting a gap in addressing modern engineering system risks. This guide advocates for updating engineering curricula to include digital risk management as a fundamental element. By doing so, future engineers will be equipped to design resilient systems that mitigate digital risks from the outset. Through this guide, engineering faculty can integrate CIE into their curricula, bridging the gap between digital risk and engineering. This approach prepares a cyber-informed workforce capable of safeguarding the cyber-physical systems crucial to national security and public welfare. By embedding CIE into education and training, institutions can produce engineers and technicians who can effectively mitigate cyber impacts throughout the engineering design lifecycle, resulting in more secure critical infrastructures.

42 - ENGINEERING↗

DOE OSTI2025

Fostering Geothermal Machine Learning Success: Elevating Big Data Accessibility and Automated Data Standardization in the Geothermal Data Repository

The Department of Energy's (DOE's) Geothermal Data Repository (GDR) has implemented improvements to both its data lakes and its data standards and automated data pipelines. The GDR data lakes have reduced storage and compute-related barriers to using large geothermal datasets, enabling these large datasets to be accessed by anyone with a modern computer and internet access. More recently, the GDR has been working to further reduce barriers through streamlining the data intake process, educating users on the process and requirements, and helping users access data from the data lakes. These improvements have augmented the quantity of datasets the GDR is able to accept into its data lakes and have enabled users who are new to cloud tools to access these datasets more easily, overall increasing the accessibility of big geothermal data for use in machine learning and other projects. In addition, the GDR now has built-in data standards and pipelines for drilling data, geospatial data, and distributed acoustic sensing (DAS) data. These standardization efforts aim to enhance the real-world applicability of geothermal machine learning outcomes by improving the quality of training data. Specifically, through standardizing high-value datasets, the GDR is reducing project-specific data curation requirements, thus allowing more time for actual research. By automating this process, the burden of standardization is lifted from the user, ultimately increasing the availability of standardized data. This paper provides an update on recent improvements made to the GDR's data lakes and automated data pipelines, including: (1) streamlining the data lake intake process, (2) better educating users on the process and requirements through a new data lakes page, (3) adding data lake direct access links to GDR data lake submission pages, (4) implementing a DAS data pipeline to convert DAS data uploaded in SEG-Y format to a standardized hierarchical data format v5 (HDF5), (5) extending this pipeline to encompass data in the GDR data lake, (6) adding metadata requirements for geospatial data, (7) making user interface/user experience (UX) enhancements to the data pipelines' documentation pages, and (8) improving the GDR's data standards and pipelines pages to better guide users in ensuring that their data is standardized by the GDR's automated data pipelines. 2024 Geothermal Resources Council. All rights reserved.

accessibility↗