Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “NATIONAL ORGANIZATIONS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records

Support of US Burning Plasma Organization (Final Technical Report)

The objective of the project described here was to support and increase the effectiveness of the US Burning Plasma Organization. This a national organization of scientists and engineers in magnetic fusion energy, established in 2005 at the request of the DOE Office of Fusion Energy Sciences, which serves to “Advance the scientific understanding of burning plasmas and ensure the greatest benefit from a burning plasma experiment by coordinating relevant U.S. fusion research with broad community participation.” It has grown to over 420 members from over 70 institutions, primarily across the US but with some associate members from other countries. The project was divided into two tasks. The first supported leadership activities in the USBPO by the Deputy Director, Dr. Amanda Hubbard. Responsibilities included chairing regular meetings of the USBPO Research Committee, communicating with the USBPO membership via emails and web seminars, forming and overseeing activities of Task Groups, and ensuring good communication about activities of the International Tokamak Physics Activity. A task group report on ‘Recommendations for ITER Experimental Operation, U.S. Team Formation and Participation’ was completed. Hubbard organized a series of highly popular web seminars for the burning plasma community, on a range of topics attracting a large number of participants from diverse institutions. Hubbard ended her term as Deputy Director in May, 2020. She subsequently received the Secretary of Energy’s Appreciation award for her service to USBPO. The second task supported the communications functions of the USBPO, led by Communications Coordinator, Mark London. Communications are critical for the effective operation of the USBPO, given it consists of members at many widely scattered institutions, and conducts its business almost entirely using remote tools. MIT has hosted and maintained the USBPO website, mailing lists, and discussion forums and provided member support, and videoconferencing support. MIT has continued this support following this grant, with funding incorporated into a broader Cooperative Agreement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Volatile Organic Compounds in Bankhead National Forest (AMF3). August to September, 2025

The formation of atmospheric aerosols through the transformation of volatile organic compounds (VOCs) is a fundamental process in aerosol-climate interactions, as these particles serve as cloud condensation nuclei and ultimately influence Earth’s radiative balance. However, there remains a critical need to quantify the effects of multiple coexisting VOC precursors on aerosol formation beyond the limitations of laboratory-scale studies. This research aims to advance the mechanistic understanding of secondary organic aerosol formation in the southeastern United States by investigating interactions among coexisting VOC precursors observed at the third ARM Mobile Facility located in the Bankhead National Forest. The dataset was generated from the deployment of Oak Ridge National Laboratory’s PTR-TOF 6000 X2 Proton Transfer Reaction Time-of-Flight Mass Spectrometer (PTR-ToF-MS) for the real-time, continuous monitoring of VOCs from August 21 to September 15, 2025. To minimize sampling artifacts and compound losses, the PTR-ToF-MS inlet was connected to the cabin flow line by replacing the existing Tygon tubing with 1/2-inch outer diameter perfluoroalkoxy (PFA) tubing. The instrument operated on an hourly measurement cycle consisting of 8 minutes of zero-air measurements followed by 52 minutes of ambient air sampling, with a temporal resolution of 10 seconds. The dataset includes concentrations, reported in ppb, of methanol, acetone, acetonitrile, isoprene, methyl vinyl ketone and methacrolein (MVK + MACR), monoterpenes, benzene, toluene, and catechol.

Atmospheric concentration of volatile organic comp↗

DECOVALEX-2019: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

The DECOVALEX Project is an international research collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative, now running for almost 30 years, was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel, and also for a range of other sub-surface engineering activities. DECOVALEX emphasizes joint analysis and comparative modeling of state-of-the-art field and laboratory experiments, across a range of host rock options and repository designs. Participating research teams are from radioactive waste management organizations, national research institutes, regulatory agencies, universities, and consulting groups, providing a wide range of perspectives and solutions to these complex problems. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2019, started in 2016 and ended in 2019. Modeling teams from 13 international partner organizations participated in the comparative evaluation of seven modeling tasks involving complex field and/or laboratory experiments. Furthermore, this Virtual Special Issue on DECOVALEX-2019 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes.

58 GEOSCIENCES↗

Using Mapping Tools to Prioritize Electric Vehicle Charger Benefits to Underserved Communities

Mapping tools can play an important role in incorporating equity into planning, implementing, and evaluating investments in electric vehicle (EV) charging stations, also referred to as EV chargers or electric vehicle supply equipment (EVSE). Federal, state, and local organizations need methodologies for using mapping tools as they pursue equity-focused goals to ensure that the benefits of investments in EV chargers flow to energy and environmental justice (EEJ) underserved communities. This report provides examples of how to apply mapping tools to identify priority locations for installing EV chargers that may benefit EEJ underserved communities through four EV charger planning approaches: corridor charging, community charging, fleet electrification, and diversity in STEM and workforce development. It also explores various methodologies for calculating low-public EVSE density. Ensuring that the benefits of EV charger investments flow to underserved communities involves prioritizing locally identified needs and incorporating community input when choosing charging station locations. Installing EV chargers in a census tract identified as an EEJ underserved community does not inherently mean that those EV chargers provide benefits to residents of that community. In addition, representatives of historically disadvantaged communities or environmental justice communities have concerns that installing EV chargers in their communities could potentially exacerbate or propagate existing inequities. While the methodologies described in this report may help identify priority census tracts for equity-focused EV charger investment, additional community engagement and site evaluation are necessary to determine whether EV chargers are accessible, affordable, and convenient to EEJ underserved community residents and what benefits the local community is looking to realize with EV charger installations. This report is the culmination of many discussions with project leaders from DOE-funded projects deploying EV chargers in communities across the nation, organizations representing EEJ underserved communities, state agencies developing EV investment plans, utilities making major EV investments, and DOE national laboratory experts working in transportation electrification. The authors distributed a draft report for peer review, and reviewer comments are summarized in this report. These methodologies are likely to evolve as more EV charger funding programs are implemented and more real-world data is available to measure the effectiveness of strategies for incorporating equity in EV charger deployment projects. Continued efforts to document best practices and critically evaluate whether equity-focused programs achieve their goals are needed as transportation electrification proceeds at the local, regional, and national levels.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

International collaboration in disposal research: comparative modeling of coupled processes in the DECOVALEX project

Abstract. This presentation gives an overview of an international research collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. The creation of the international DECOVALEX project, now running for more than 25 years, was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of state-of-the-art field and laboratory experiments, across a range of host rock options and repository designs. Participating research teams are from radioactive waste management organizations, national research institutes, regulatory agencies, universities, and consulting groups, providing a wide range of perspectives and solutions to these complex problems. The presentation provides examples of the research contributions made collectively in past DECOVALEX tasks and also touches on the unique modeling challenges tackled in the ongoing project phase, referred to as DECOVALEX-2023. The current phase comprises 17 partner organizations, about 50 modeling teams, and 7 modeling tasks, which cover a broad portfolio from fundamental studies on gas migration to full-scale in situ heater experiments in different host rocks to performance assessment studies. Together, these examples illustrate that the insight and scientific knowledge gained within the DECOVALEX project would not have been possible if one group had studied these complex THMC modeling challenges alone rather than within a truly collaborative setting.

Birkholzer, Jens T.↗

Decovalex-2019 (Executive Summary)

The DECOVALEX Project is an on-going international research collaboration, established in 1992, to advance the understanding and modeling of coupled Thermal (T), Hydrological (H), Mechanical (M) and Chemical (C) processes in geological in geological systems. DECOVALEX was initially motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. Later it was realized that these processes also play a critical role in other subsurface engineering activities, such as subsurface CO 2 storage, enhanced geothermal systems, and unconventional oil and gas production through hydraulic fracturing. Research teams from many countries (e.g., Canada, China, Czech Republic, Finland, France, Germany, Japan, Republic of Korea, Spain, Sweden, Switzerland, Taiwan, United Kingdom, and the United States) various institutions have participated in the DECOVALEX Project over the years, providing a wide range of perspectives and solutions to these complex problems. These institutions represent radioactive waste management organizations, national research institutes, regulatory agencies, universities, as well as industry and consulting groups. The overall aim of DECOVALEX-2019 was to increase the understanding of various thermo-hydro-mechanical-chemical processes of importance for radionuclide release and transport from a repository to the biosphere and how they can be described and modelled using mathematical models. The scientific and technical objectives are: to increase the basic understanding of T-H-M-C coupled processes in fractured rocks (crystalline, sedimentary, argillaceous) and buffer materials; to investigate the predictive capabilities of different codes to field experiments and to perform verification of codes; to exchange experimental data, and improve the understanding of the constitutive behavior of crystalline and argillaceous rock masses and buffer materials; and to perform THMC calculations in a performance/safety assessment context.

58 GEOSCIENCES↗

DECOVALEX-2019 (Task E Final Report)

The DECOVALEX Project is an on-going international research collaboration, established in 1992, to advance the understanding and modeling of coupled Thermal (T), Hydrological (H), Mechanical (M) and Chemical (C) processes in geological in geological systems. DECOVALEX was initially motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. Later it was realized that these processes also play a critical role in other subsurface engineering activities, such as subsurface CO 2 storage, enhanced geothermal systems, and unconventional oil and gas production through hydraulic fracturing. Research teams from many countries (e.g., Canada, China, Czech Republic, Finland, France, Germany, Japan, Republic of Korea, Spain, Sweden, Switzerland, Taiwan, United Kingdom, and the United States) various institutions have participated in the DECOVALEX Project over the years, providing a wide range of perspectives and solutions to these complex problems. These institutions represent radioactive waste management organizations, national research institutes, regulatory agencies, universities, as well as industry and consulting groups. This document is the final report of Task E which was proposed and coordinated by Andra, the National Radioactive Waste Management Agency in France, presenting the technical definitions of the problems studied, approaches applied, achievements made and outstanding issues for future research. The purpose of Task E of the DECOVALEX-2019 project is to investigate upscaling THM modelling from small-scale experiments (some cubic meters) to full-scale experiments (some ten cubic meters) and finally to the scale of the waste repository (cubic kilometers). To achieve this aim, the data of two in-situ heating experiments performed by Andra (the French National Radioactive Waste Management Agency) in the Meuse/Haute-Marne Underground Research Laboratory (MHM URL) have formed the basis for the understanding of the THM behavior of the COx at different scales. The first experiment provided the reference values of the THM parameters by means of a calibration exercise and they were used for a blind prediction and an interpretative analysis of the second one.

58 GEOSCIENCES↗

Midwest Regional Carbon Conversion/Utilization Procurement Grant Workshop

https://events.usea.org/events/midwest-regional-carbon-conversionutilization-procurement-grant-workshop As the U.S. economy moves toward clean energy and a lower carbon future, the U.S. Department of Energy (DOE) is seeking to partner with states, communities, and industries to support the procurement and development of carbon conversion products. These efforts have been enabled by provisions included in the Bipartisan Infrastructure Law (BIL). As part of the BIL, supporting the Administration’s goal to achieve a carbon-free power sector by 2035 and putting the United States on a path to a net-zero economy by 2050, a new initiative was established within DOE’s Office of Fossil Energy and Carbon Management through its Carbon Conversion/Utilization Program. The new initiative will establish a demonstration grant program to issue grants to eligible entities to procure commercial and industrial products derived from the conversion of anthropogenic carbon oxides and demonstrate a significant net reduction in life cycle greenhouse gas emissions compared to incumbent technologies, processes, and products. DOE-FECM will establish a demonstration grant program within the Carbon Conversion/Utilization Program to support eligible applicants that procure those commercial and industrial products derived from anthropogenic carbon oxides. Therefore, the Carbon Conversion/Utilization Program, with the assistance of the United States Energy Association (USEA), will conduct a series of workshops (both virtual and in-person) with relevant stakeholders, e.g., product manufacturers, eligible entities, or their representative national organizations (e.g., United States Conference of Mayors, etc.) to solicit input and ideas on challenges and opportunities for a potential grant program.

Larimore, Ryan↗

Challenges and Opportunities in Staffing and Knowledge Transfer at Research Reactors

University research reactors have been a cornerstone of nuclear engineering research and education since the first reactor was deployed at North Carolina State University in the 1950s. The population of university reactors grew to a high of almost 80 in 1970 but has dropped to 24 operating today. The US Department of Energy – Office of Nuclear Energy supports the remaining reactors through fuel and infrastructure funding. The Nuclear Science User Facilities (NSUF) collaborated with the National Organization of Test, Research, and Training Reactors (TRTR) to study the needs of the university research reactor community. Staffing and knowledge transfer were identified as critical areas. The panel will discuss challenges and opportunities in these areas including how COVID-19 has affected their facilities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

National Council on Electricity Policy MINI GUIDE: Engagement between States and Regional Transmission Organizations

The National Council on Electricity Policy (NCEP) is a platform for all state-level electricity decision-makers to share and learn from diverse perspectives on the evolving electricity sector. The NCEP mini guide series promotes this dialogue by highlighting examples of successful engagement across its members. Each mini guide features collaborative approaches, lessons learned, and interviews with leading state and local decision-makers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Case Study - Intentional Inclusion: How embedding inclusion into the fabric of Idaho National Laboratory positioned the organization for a sustainable future

Idaho National Laboratory, a Department of Energy national laboratory headquartered in Idaho Falls, Idaho, set out to embed inclusion into every aspect of its organization. The goal was to ensure the laboratory is a place where everyone feels they are valued, belong and can bring their best selves to work each day. The laboratory viewed inclusion as a journey in which a consistent, collective commitment to intentional decision-making and incremental progress ultimately achieves amazing results. INL’s intentional inclusion strategy has allowed the organization to: • Retain and build a next-generation workforce to transform the world’s energy future and secure the nation’s most critical infrastructure. • Lead inclusively through individual, team-based, and labwide actions that elevate organizational effectiveness. • Grow laboratory cultural acumen by establishing a clear connection between inclusion and mission success. This case study shares how INL brought employees along on the inclusion journey and inspired everyone to keep moving forward together.

99 GENERAL AND MISCELLANEOUS↗

Analysis of Respirator Cartridge Performance Testing on Hanford Tank A-101

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air purifying respirators (APR) to determine the period of time that the cartridges would provide adequate performance1 to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPCs) from vapors emanating from the headspace of tank A-101 on the Hanford Site. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing a cartridge change schedules.[3] Testing is commonly applied in situations where mixtures of COPCs exist, and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to ensure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service life, including temperature, humidity, COPC concentration, breathing rate, and cartridge adsorption capacity. Testing was conducted over a period from July 22-24, 2016, using headspace vapors from Hanford tank A-101 under static conditions2 fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and 7422-SC1 (SCOTT Safety, Monroe, North Carolina) were assessed on separate days with A-101 headspace vapors. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge, and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life. Key conclusions from the assessment of the 59 COPCs in this study are described below: • Based on d measured cartridge inlet vapor concentrations from tank A-101 headspace, both ammonia and N-Nitrosodimethylamine (NDMA) exceeded their Occupational Exposure Limits (OEL).3 These measurements were generally consistent with maximum A-101 headspace measurements previously obtained for these two compounds. • Ammonia had respirator cartridge outlet concentrations that exceeded 10% of the OEL for both cartridges tested, indicating breakthrough for each. For the SCOTT 7422-SD1 cartridge, ammonia appeared to breakthrough above 10% of its OEL after 2 hours. For the SCOTT 7422-SC1 cartridge, ammonia breakthrough appeared to occur after 8 hours. 1 “Adequate performance” refers to the breakthrough criteria used in this analysis—that is, sustained cartridge outlet concentrations above 10% of the OEL. For some COPCs, an alternate threshold has been applied when necessary due to higher detection limit (DL)/reporting limit (RL) values for specific compounds. Ultimately, Industrial Hygiene professionals will use these results along with specific hazard assessments to determine service life and cartridge use that provides the necessary performance. 2 These tests were conducted under static conditions absent waste-disturbing activities in the subject tank or tank farm. 3 Occupational Exposure Limits accepted for Hanford Tank Farm use are based on OELs established by a U.S. governmental agency or national professional organization (e.g., OSHA, National Institute for Occupational Safety and Health, American Conference of Governmental Industrial Hygienists), or if no U.S. OEL exists, standard toxicological practices are applied to develop OELs using non-U.S. exposure limits, other established OELs for chemical surrogates when available, or other standard procedures. The OEL for NDMA was established in 2005 based on the MAK (Maximale Arbeitsplatzkonzentration) Commission standard adopted in Europe. iv • Despite respirator inlet measurements for NDMA that were in excess of its OEL, all corresponding outlet measurements, from both respirator cartridges, were below analytical DL 1 for the

61 RADIATION PROTECTION AND DOSIMETRY↗

Workshop Report: Rural Electric Cooperative Distributed Energy Resource Business Model Development Workshops

The United States' energy future is being shaped by decades of technology innovation, rapidly changing consumer requirements, and governmental focus on securing reliable, low-cost energy sources. With expanded electrification and increased emphasis on grid reliability coupled with the heightened complexity and risks associated with transmission infrastructure, the use of distributed energy resources (DERs) is more commonly being considered a safe, efficient, and cost-effective way to maintain grid resilience and reliability. Amidst improvements in performance, decreasing costs, and unprecedented federal policy support for DERs, electric cooperatives are considering new opportunities to use these assets to ensure secure and reliable operations for millions of customers. In light of these developments, a series of workshops were held to collaborate on the development of business models for DERs in rural electric cooperative ecosystems. The first workshop was held July 11, 2024, at the Tri-State Generation and Transmission Association Inc. headquarters in Westminster, Colorado (hereafter referred to as the "Tri-State Workshop"). The second workshop was hosted by PNGC Power on Oct. 9, 2024, in Portland, Oregon (hereafter referred to as the "PNGC Power Workshop"). These workshops convened representatives from G&Ts, distribution cooperatives,2 the energy industry, the financial community, the U.S. government, national and regional organizations, and national laboratories to share perspectives on the unique needs, challenges, and opportunities that they face as DERs are further integrated into the grid. The workshops were designed to address the following objectives: (1) develop the enabling attributes of electric cooperative DER business models, (2) explore pathways for generating community benefits from these assets, and (3) identify technical challenges and market risks for DERs in rural electric cooperative service territories. This report outlines key findings and major themes identified by workshop participants that federal agencies, G&Ts, distribution cooperatives, and other entities can consider to advance electric cooperative DER business models.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Mondo: integrating disease terminology across communities

Precision medicine aims to enhance diagnosis, treatment, and prognosis by integrating multimodal data at the point of care. However, challenges arise due to the vast number of diseases, differing methods of classification, and conflicting terminological coding systems and practices used to represent molecular definitions of disease. This lack of interoperability artificially constrains the potential for diagnosis, clinical decision support, care outcome analysis, as well as data linkage across research domains to support the development or repurposing of therapeutics. There is a clear and pressing need for a unified system for managing disease entities⁠—including identifiers, synonyms, and definitions. To address these issues, we created the Mondo disease ontology—a community-driven, open-source, unified disease classification system that harmonizes diverse terminologies into a consistent, computable framework. Mondo integrates key medical and biomedical terminologies, including Online Mendelian Inheritance in Man (OMIM), Orphanet, Medical Subject Headings (MeSH), National Cancer Institute Thesaurus (NCIt), and more, to provide a comprehensive and accurate representation of disease concepts with fully provenanced and attributed links back to the sources. Mondo can be used as the handle for curation of gene–disease associations utilized in diagnostic applications, research applications such as computational phenotyping, and in clinical coding systems in clinical decision support by pointing the clinician to the numerous knowledge resources linked to the Mondo identifier. Mondo's community-centric approach, stewarded by the Monarch Initiative's expertise in ontologies, ensures that the ontology remains adaptable to the evolving needs of biomedical research and clinical communities, as well as the knowledge providers.

biomedical informatics↗

Source characterization of volatile organic compounds at Carlsbad Caverns National Park

Carlsbad Caverns National Park (CAVE), located in southeastern New Mexico, experiences elevated ground-level ozone (O 3 ) exceeding the National Ambient Air Quality Standard (NAAQS) of 70 ppbv. It is situated adjacent to the Permian Basin, one of the largest oil and gas (O&G) producing regions in the US. In 2019, the Carlsbad Caverns Air Quality Study (CarCavAQS) was conducted to examine impacts of different sources on ozone precursors, including nitrogen oxides (NO x ) and volatile organic compounds (VOCs). Here, we use positive matrix factorization (PMF) analysis of speciated VOCs to characterize VOC sources at CAVE during the study. Seven factors were identified. Three factors composed largely of alkanes and aromatics with different lifetimes were attributed to O&G development and production activities. VOCs in these factors were typical of those emitted by O&G operations. Associated residence time analyses (RTA) indicated their contributions increased in the park during periods of transport from the Permian Basin. These O&G factors were the largest contributor to VOC reactivity with hydroxyl radicals (62%). Two PMF factors were rich in photochemically generated secondary VOCs; one factor contained species with shorter atmospheric lifetimes and one with species with longer lifetimes. RTA of the secondary factors suggested impacts of O&G emissions from regions farther upwind, such as Eagle Ford Shale and Barnett Shale formations. The last two factors were attributed to alkenes likely emitted from vehicles or other combustion sources in the Permian Basin and regional background VOCs, respectively. Implications: Carlsbad Caverns National Park experiences ground-level ozone exceeding the National Ambient Air Quality Standard. Volatile organic compounds are critical precursors to ozone formation. Measurements in the Park identify oil and gas production and development activities as the major contributors to volatile organic compounds. Emissions from the adjacent Permian Basin contributed to increases in primary species that enhanced local ozone formation. Observations of photochemically generated compounds indicate that ozone was also transported from shale formations and basins farther upwind. Therefore, emission reductions of volatile organic compounds from oil and gas activities are important for mitigating elevated O 3 in the region.

54 ENVIRONMENTAL SCIENCES↗

Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops

Over the past decade, fundamental changes in artificial intelligence (AI)—from foundational to applied—have delivered dramatic insights across a wide breadth of U.S. Department of Energy (DOE) mission space. AI is helping to augment and improve scientific and engineering workflows (e.g., for control, design, and dramatic performance gains through surrogate models) in national security, the Office of Science, and DOE’s applied energy programs. The progress and potential for AI in DOE science was captured in the 2020 “AI for Science” report from the DOE laboratory community in collaboration with academia and industry. Specific scientific areas ready to further leverage the power of AI ranged from the scale and performance of computational models to data analysis to creating new classes of observations using computer vision. Since that report, the scale and scope of scientific AI have accelerated, revealing new, emergent properties that yield insights that go beyond enabling opportunities to being potentially transformative in the way that scientific problems are posed and solved. Thus, under the guidance of both the Office of Science (SC) and the National Nuclear Security Administration (NNSA), the DOE national laboratories organized a series of workshops in 2022 to gather input on new and rapidly emerging opportunities and challenges of scientific AI. This 2023 report is a synthesis of those workshops. The scientific community believes AI can have a foundational impact on a broad range of DOE missions, including science, energy, and national security. Further, DOE has unique capabilities that enable the community to drive progress in scientific use of AI, building on long-standing DOE strengths and investments in computation, data, and communications infrastructure, spanning the Energy Sciences Network (ESnet), the Exascale Computing Project (ECP), and integrative programs such as the NNSA Office of Defense Programs Advanced Simulation and Computing (ASC) and the SC Scientific Discovery through Advanced Computing (SciDAC) programs.

97 MATHEMATICS AND COMPUTING↗

Source Characterization of Volatile Organic Compounds at Carlsbad Caverns National Park

Carlsbad Caverns National Park (CAVE), located in southeastern New Mexico, experiences elevated ground-level ozone (O 3 ) exceeding the National Ambient Air Quality Standard (NAAQS) of 70 ppbv. It is situated adjacent to the Permian Basin, one of the largest oil and gas (O&G) producing regions in the US. In 2019, the Carlsbad Caverns Air Quality Study (CarCavAQS) was conducted to examine impacts of different sources on ozone precursors, including nitrogen oxides (NO x ) and volatile organic compounds (VOCs). Here, we use positive matrix factorization (PMF) analysis of speciated VOCs to characterize VOC sources at CAVE during the study. Seven factors were identified. Three factors composed largely of alkanes and aromatics with different lifetimes were attributed to O&G development and production activities. VOCs in these factors were typical of those emitted by O&G operations. Associated residence time analyses (RTA) indicated their contributions increased in the park during periods of transport from the Permian Basin. These O&G factors were the largest contributor to VOC reactivity with hydroxyl radicals (62%). Two PMF factors were rich in photochemically generated secondary VOCs; one factor contained species with shorter atmospheric lifetimes and one with species with longer lifetimes. RTA of the secondary factors suggested impacts of O&G emissions from regions farther upwind, such as Eagle Ford Shale and Barnett Shale formations. The last two factors were attributed to alkenes likely emitted from vehicles or other combustion sources in the Permian Basin and regional background VOCs, respectively.

54 ENVIRONMENTAL SCIENCES↗