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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.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Optimizing the electron transport chain to sustainably improve photosynthesis

Abstract Genetically improving photosynthesis is a key strategy to boosting crop production to meet the rising demand for food and fuel by a rapidly growing global population in a warming climate. Many components of the photosynthetic apparatus have been targeted for genetic modification for improving photosynthesis. Successful translation of these modifications into increased plant productivity in fluctuating environments will depend on whether the electron transport chain (ETC) can support the increased electron transport rate without risking overreduction and photodamage. At present atmospheric conditions, the ETC appears suboptimal and will likely need to be modified to support proposed photosynthetic improvements and to maintain energy balance. Here, I derive photochemical equations to quantify the transport capacity and the corresponding reduction level based on the kinetics of redox reactions along the ETC. Using these theoretical equations and measurements from diverse C3/C4 species across environments, I identify several strategies that can simultaneously increase the transport capacity and decrease the reduction level of the ETC. These strategies include increasing the abundances of reaction centers, cytochrome b6f complexes, and mobile electron carriers, improving their redox kinetics, and decreasing the fraction of secondary quinone–nonreducing photosystem II reaction centers. I also shed light on several previously unexplained experimental findings regarding the physiological impacts of the abundances of the cytochrome b6f complex and plastoquinone. The model developed, and the insights generated from it facilitate the development of sustainable photosynthetic systems for greater crop yields.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

An integrated transportation-power system model for a decarbonizing world

Rising demand for electricity from electric vehicles (EVs) will require new paradigms to guarantee reliable and low-cost electricity. This study couples an agent-based travel demand simulator and an electricity grid model to assess the economic costs of supplying power to meet EVs' added demand across the Chicago region. Results suggest that shifting from personal EVs to a fleet of shared, fully-automated all-electric vehicles (SAEVs) could lower per-mile emissions, congestion, and embodied vehicle and charging infrastructure emissions. Further, the results should compel policymakers to shift the cost of providing power onto commercial customers, like electric ride-hail fleets, through price-indexed electricity prices, which can shift charging to off-peak periods or away from resource-scarce hours.

Integrated modeling↗
DOE OSTI2022

Renewable Energy and Efficiency Technologies in Scenarios of U.S. Decarbonization in Two Types of Models: Comparison of GCAM Modeling and Sector-Specific Modeling

Energy system projections from quantitative models inform actions ranging from short-term and local decisions, such as those about technology and infrastructure deployment, and global and long-term negotiations and targets. Computational limits require model designers to balance coverage and resolution (i.e., breadth versus depth). Some models, such as the Global Change Analysis Model (GCAM), represent all energy sources and uses with less resolution than models that focus on a single sector's energy use. GCAM balances global supply and demand of all energy carriers projecting prices using internal calculations for energy sources and costs of greenhouse gas mitigation while capturing interlinkages between the energy system, water, agriculture and land use, the economy, and the climate. This globally comprehensive model was used to frame the Long-Term Strategy of the United States: Pathways to Net-Zero Greenhouse Gas Emissions by 2050, which the White House released in 2021 and has been used to inform national and global economy-wide climate change mitigation discussions and strategy development for decades. Unlike GCAM, sectoral models focus on a portion of the energy sector and with greater detail and resolution. The Regional Energy Deployment System (ReEDS) electricity-sector model, for example, projects electricity system capacity expansion and operation with high-fidelity representation of emerging technologies for deep decarbonization, such as variable renewable energy and energy storage, and integration of these technologies into the electric grid. The Transportation Energy and Mobility Pathway Options (TEMPO) transportation-sector model enables analysis of household choices, with a focus on adoption, charging, and use of electric vehicles. The Scout buildings-sector model supports detailed consideration of the policies and markets that can accelerate the adoption of electrification and energy conservation measures in buildings. Such sector-specific models are instrumental in informing technology research, sectoral planning strategies, and sector-specific aspects of greenhouse gas mitigation strategies in the United States. The integrated multisector and sector-specific modeling approaches represented by GCAM and these sectoral models are complementary. The integrated multisector approach calculates energy pricing and resource allocation within the model, which is important for consistency when future conditions substantially diverge from current conditions in transformative scenarios. The sector-specific approach facilitates representation of granular details across spatial, temporal, technological, and market dimensions that enable exploration of particular interactions and trade-offs. This report presents the results of recent work to explore the differences and trade-offs between these approaches by comparing GCAM with the sector-specific ReEDS, TEMPO, and Scout models. The report compares both model structures and results, and it addresses their potential relevance and applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Decadal-Scale Hydrothermal Alteration of Basalt: Implications for Long-Term Reactivity in Subsurface Technologies

Global demands to secure critical mineral supply chains and managing water resources require innovative resource management strategies. Subsurface basalt reservoirs offer a dual-purpose application, where CO2 enhanced critical metal recovery can be coupled with water remediation strategies for the extraction of economically important and environmentally relevant elements. This study utilizes static batch experiments conducted on Columbia River Basalt Group samples to evaluate long-term fluid–rock interactions relevant to coupled subsurface applications. Samples were reacted under elevated temperature and pressure conditions, for 296 and 4,061 days, providing a unique dataset to assess geochemical evolution, element partitioning, and aqueous chemistry over decadal timescales. The alteration was dominated by silicate, aluminosilicate, and oxide phases. Progressive hydrothermal alteration increased the cation exchange capacity through the formation of secondary minerals (e.g. clays and zeolites), influencing solute retention, ion exchange behavior, and aqueous chemistry. Grain-scale and bulk analyses revealed selective cation release and retention patterns, establishing a mechanistic baseline for predicting element mobility. These geochemical constraints inform the prospective use of CO2-enhanced metal recovery for critical resources (e.g. Co, Ni, Mn, Mg, Ti, Fe) and associated water-quality impacts, providing a foundation for the design and management of engineered fluid–rock systems in basalt reservoirs.

Gibson, Marie N.↗
DOE OSTI2025

Electrification pathways for U.S. passenger vehicles

As electric vehicle (EV) adoption continues to accelerate, we explore the implications of different adoption trajectories that achieve a full transition to EVs by 2050 for U.S. light-duty passenger vehicles (LDVs). Using a vetted transportation system model, we find that achieving 100% EV sales by 2040 would decrease tailpipe greenhouse gases (GHGs) by 90% between 2022 and 2050, leaving about 45 million gasoline vehicles on the road. Achieving 100% sales by 2035, tailpipe emissions decrease 93%, with about 28 million gasoline vehicles on the road in 2050 (9% of stock). Slower EV adoption, reaching 100% sales by 2045, would result in 69 million gasoline vehicles on the road in 2050. Fully electrifying passenger vehicles by 2050 would require a full transition to EVs sales in the 2030s coupled with either changes to mobility, or an accelerated stock turnover in the 2040s with additional 19–30% annual LDV sales.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Meeting sustainable aviation fuel policy targets through first generation corn biorefineries

This paper investigates options to produce low carbon and renewable aviation fuel through existing commercial first generation biorefineries, which could be strategic given the rapid growth of the electric vehicle market for personal mobility. We evaluate the environmental impact of retrofitting a first generation biorefinery to produce aviation fuel through chemical process simulation. The analysis investigates the potential for reducing greenhouse gas (GHG) emissions and displacing fossil fuel (petroleum-based jet kerosene) in the aviation fuel industry through using corn feedstocks in dry grind biorefineries to convert sugars to 1,4-dimethylcyclooctane (DMCO), which qualifies as renewable jet-A fuel blend and is infrastructure compatible. Further, the average life cycle GHG emissions for a baseline case and a scenario with carbon capture and storage (CCS) of fermentative CO 2 are 36 and 5g CO 2 e/MJ DMCO, respectively. Investment in CCS at the biorefinery and adoption of crop best management practices on farms are essential for mitigating the risks of induced land use change GHG emissions for existing corn biorefineries. DMCO as a low-carbon aviation fuel could be a strategic fuel product for retrofitting existing corn dry grind facilities. For aviation fuel supply, corn dry grind facilities could displace about 12% of jet fuel demand in the near term, which would meet sustainable aviation fuel policy targets. We conclude that corn-to-DMCO shows promise for near-term low-carbon fuel markets in the aviation industry and as a bridge to developing biomass-based jet fuel in the future.

09 BIOMASS FUELS↗
DOE OSTI2025

Mining Product Reviews for Important Product Features of Refurbished iPhones

Problem: Remanufacturers want to increase consumer interest in refurbished products, which motivates the need to understand which product features are important to buyers of refurbished products such as mobile phones. Research Questions: This study addresses two questions. First, which product features are most important for buyers of refurbished iPhones? Second, how do those preferences differ from the preferences of buyers of new iPhones? Methods: Online reviews of iPhones are obtained and converted into a document–term matrix. Using this text model, three subsets of features are identified using statistical analysis of frequency of mention: most frequent, average, and least frequent. A logistic regression (LR) model is then used to identify which features are most predictive of whether a review is for a new or refurbished phone. Results: Buyers of refurbished phones mention battery health, screen/display, shell condition, and brand significantly more often than other features. Directly contrasting reviews of refurbished versus new phones shows that shell condition, brand, speaker, and charger are found to be the most predictive product features indicated in reviews for refurbished phones. Of those, the shell condition is significantly more predictive than the others. Implications: The results identify product features that remanufacturers of iPhones can emphasize to increase customer demand.

Anisi, Atefeh↗
DOE OSTI2021

A high-fidelity residential building occupancy detection dataset

Abstract This paper describes development of a data acquisition system used to capture a range of occupancy related modalities from single-family residences, along with the dataset that was generated. The publicly available dataset includes: grayscale images at 32-by-32 pixels, captured every second; audio files, which have undergone processing to remove personally identifiable information; indoor environmental readings, captured every ten seconds; and ground truth binary occupancy status. The data acquisition system, coined the mobile human presence detection (HPDmobile) system, was deployed in six homes for a minimum duration of one month each, and captured all modalities from at least four different locations concurrently inside each home. The environmental modalities are available as captured, but to preserve the privacy and identity of the occupants, images were downsized and audio files went through a series of processing steps, as described in this paper. This dataset adds to a very small body of existing data, with applications to energy efficiency and indoor environmental quality.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Science Plan for the Deployment of the Third ARM Mobile Facility to the Southeastern United States at the Bankhead National Forest, Alabama (AMF3 BNF)

In 2018, the U.S. Department of Energy (DOE) held a workshop for the Atmospheric Radiation Measurement (ARM) (Mather and Voyles 2013) user facility to discuss critical climate challenges and locations where key ARM Mobile Facility (AMF) observational assets could impact Earth system modeling (ESM). As an outcome, the southeast United States (SE U.S.) was identified as a high-priority region to target climate-process studies that promote a deeper understanding of the climate system and bolster ARM interactions with the community to drive ESM advancement. The DOE ARM user facility is a globally recognized leader in deploying and operating strategically located observation sites around the world for studying the properties of aerosols and clouds and their interaction with radiation, precipitation, and the Earth’s surface. In partnering with the DOE Atmospheric System Research (ASR) program, ARM solicited a multi-agency Site Science Team approach to provide input and close interaction with ARM management towards a successful SE U.S. deployment of the ARM third Mobile Facility (AMF3) (Miller et al. 2016). These efforts included identifying key locations, science drivers and instruments, and measurement strategies to address the wider climate-process needs and ESM improvement. Community input served a vital role in establishing, refining, and informing the relevant drivers and decisions regarding this AMF3 deployment. The team has identified Northern Alabama (N. AL) as regionally representative to unlock the key opportunities that will improve our understanding and model representation of aerosol, cloud, and land surface processes and their couplings in the SE U.S. A defining aspect of the AMF3 deployment is its commitment to long-term (anticipated five-year) observations to mitigate potential seasonal-to-annual variability that often limits appropriate attribution of phenomena to local or larger-scale processes. The proposed location may leverage nearby surface networks and multi-agency and partner assets to enrich this multi-year deployment. One motivation is to understand the role of spatiotemporal variability (thermodynamic, land-surface) across aspects of the climate system, with our AMF3 team anticipating future demands on characterizing the relationships between local-to-regional cloud development and surface processes across a diverse patchwork of natural, managed, and urban landscapes as found throughout the N. AL regions. The main site targets an intact, representative, forested region – the Bankhead National Forest (BNF) – underscoring further team commitment to regionally important land atmosphere two-way interactive studies “from the canopy to the clouds”, with enhanced tower instrumentation augmenting traditional ARM capabilities adjacent to this site. Multiple supplemental sites will also be distributed across this region, prioritizing added needs for biodiversity. Anticipated high-priority cloud science themes will target N. AL as a regional SE U.S. hotbed for high-impact weather, convective cloud onset, and shallow to-deep cloud transitioning. Anticipated aerosol drivers will focus on chemical processes that control the evolution of organic aerosol, the seasonality and spatial distribution of water vapor and particle-phase water, and its role on aerosol optical properties. Anticipated land atmosphere drivers consider the two-way feedbacks between surface influence on aerosols, clouds, and precipitation properties and the associated radiative impacts on plant physiology and canopy-scale fluxes. Emphasis will include the study of the impact of surface processes on aerosols via precursor emission, and on clouds via moisture flux and thermal development.

Doppler lidar, aerosols, convection↗
DOE OSTI2023

Science Plan for the Deployment of the Third ARM Mobile Facility to the Southeastern United States at the Bankhead National Forest, Alabama (AMF3 BNF)

In 2018, the U.S. Department of Energy (DOE) held a workshop for the Atmospheric Radiation Measurement (ARM) (Mather and Voyles 2013) user facility to discuss critical climate challenges and locations where key ARM Mobile Facility (AMF) observational assets could impact Earth system modeling (ESM). As an outcome, the southeast United States (SE U.S.) was identified as a high-priority region to target climate-process studies that promote a deeper understanding of the climate system and bolster ARM interactions with the community to drive ESM advancement. The DOE ARM user facility is a globally recognized leader in deploying and operating strategically located observation sites around the world for studying the properties of aerosols and clouds and their interaction with radiation, precipitation, and the Earth’s surface. In partnering with the DOE Atmospheric System Research (ASR) program, ARM solicited a multi-agency Site Science Team approach to provide input and close interaction with ARM management towards a successful SE U.S. deployment of the ARM third Mobile Facility (AMF3) (Miller et al. 2016). These efforts included identifying key locations, science drivers and instruments, and measurement strategies to address the wider climate-process needs and ESM improvement. Community input served a vital role in establishing, refining, and informing the relevant drivers and decisions regarding this AMF3 deployment. The team has identified Northern Alabama (N. AL) as regionally representative to unlock the key opportunities that will improve our understanding and model representation of aerosol, cloud, and land-surface processes and their couplings in the SE U.S. A defining aspect of the AMF3 deployment is its commitment to long-term (anticipated five-year) observations to mitigate potential seasonal-to-annual variability that often limits appropriate attribution of phenomena to local or larger-scale processes. The proposed location may leverage nearby surface networks and multi-agency and partner assets to enrich this multi-year deployment. One motivation is to understand the role of spatiotemporal variability (thermodynamic, land-surface) across aspects of the climate system, with our AMF3 team anticipating future demands on characterizing the relationships between local-to-regional cloud development and surface processes across a diverse patchwork of natural, managed, and urban landscapes as found throughout the N. AL regions. The main site targets an intact, representative, forested region – the Bankhead National Forest (BNF) – underscoring further team commitment to regionally important land-atmosphere two-way interactive studies “from the canopy to the clouds”, with enhanced tower instrumentation augmenting traditional ARM capabilities adjacent to this site. Multiple supplemental sites will also be distributed across this region, prioritizing added needs for biodiversity. Anticipated high-priority cloud science themes will target N. AL as a regional SE U.S. hotbed for high-impact weather, convective cloud onset, and shallow-to-deep cloud transitioning. Anticipated aerosol drivers will focus on chemical processes that control the evolution of organic aerosol, the seasonality and spatial distribution of water vapor and particle-phase water, and its role on aerosol optical properties. Anticipated land-atmosphere drivers consider the two-way feedbacks between surface influence on aerosols, clouds, and precipitation properties and the associated radiative impacts on plant physiology and canopy-scale fluxes. Emphasis will include the study of the impact of surface processes on aerosols via precursor emission, and on clouds via moisture flux and thermal development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Inorganic Halide Perovskitoid TlPbI 3 for Ionizing Radiation Detection

Room temperature semiconductor detector (RTSD) materials for γ-ray and X-ray radiation are in great demand for the nonproliferation of nuclear materials as well as for biomedical imaging applications. Halide perovskites have attracted great attention as emerging and promising RTSD materials. In this contribution, the material synthesis, purification, crystal growth, crystal structure, photoluminescence properties, ionizing radiation detection performance, and electronic structure of the inorganic halide perovskitoid compound TlPbI 3 are reported on. This compound crystallizes in the ABX 3 non-perovskite crystal structure with a high density of d = 6.488 g·cm –3 , has a wide bandgap of 2.25 eV, and melts congruently at a low temperature of 360 °C without phase transitions, which allows for facile growth of high quality crystals with few thermally-activated defects. High-quality TlPbI 3 single crystals of centimeter-size are grown using the vertical Bridgman method using purified raw materials. A high electrical resistivity of ≈10 12 Ω·cm is readily obtainable, and detectors made of TlPbI 3 single crystals are highly photoresponsive to Ag K α X-rays (22.4 keV), and detects 122 keV γ-rays from 57 Co radiation source. The electron mobility-lifetime product µ e τ e was estimated at 1.8 × 10 –5 cm 2 ·V –1 . A high relative static dielectric constant of 35.0 indicates strong capability in screening carrier scattering and charged defects in TlPbI 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

POINT: Partially Observable Imitation Network for Traffic Signal Control

Smart traffic signals bring together transportation infrastructure and advance technologies to improve the mobility and efficiency of urban transportation network. Adaptive traffic signal control studies can be categorized into modeling-based approaches and learning-based approaches. In order to take advantages of these two systems, this study developed an offline-online combined Partial Observable Imitation Network for Traffic signal control (POINT). In the offline system, the traffic signal timing optimization problem was formulated as a Mixed Integer Nonlinear Programming (MINLP) given complete traffic information, i.e., second-by-second speeds and locations of all vehicles. Furthermore, the objective of MINLP is to minimize total travel delays considering individual vehicle trajectories under Connected Vehicle (CV) environment. The calculated optimal solutions under various traffic conditions were considered as the ”expert” decisions. In the online system, an imitation neural network model was developed to learn the ”expert” signal plans generated from offline system. Given partial observable traffic conditions in real time, e.g., the aggregate-level of traffic volume, the POINT model can compute the signal timing parameters in the online system. The numerical results demonstrated that the proposed method outperformed other state-of-the-art signal control method under high and unbalanced traffic demand levels in terms of reducing travel delays and queue length.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Human Factors and Technologies Design to Improve User Acceptance of Pooled Rideshare for Increasing Transportation System Energy Efficiency

This multi-year project delivered a comprehensive, human-factors-driven framework to understand, model, and improve pooled rideshare (PR) adoption in the United States. Through three large-scale national survey studies involving more than 16,000 participants across multiple cities and demographic groups, the research established one of the most extensive datasets to date on user perceptions, behavioral barriers, and service expectations related to pooled rideshare. These data revealed key human factors barriers of user acceptance of PR and suggested potential actionable experience optimizations that could lead to increased PR usage. This foundational knowledge guided the development of novel human-factors models and behavioral choice models that quantify how psychological, demographic, and trip-level factors influence willingness to pool. Building on these empirical insights, the project developed advanced behavioral modeling tools, including mixed logit and integrated choice and latent variable models, to capture both observable and latent influences on PR adoption. These models significantly improved the ability to predict riders’ acceptance of pooled trips, explaining choice heterogeneity through latent constructs such as safety, service experience, privacy concerns, time sensitivity, and environmental attitudes. Together, these models provide a robust analytical foundation for designing PR systems that more effectively meet user needs. The project translated human-factors insights and behavioral models into actionable technology innovations by extending POLARIS—an agent-based, activity-based travel simulation platform—into a fully functional pooled rideshare simulation environment. New PR modules, acceptance models, and regional scenarios were implemented for Greenville, SC and Austin, TX, enabling high-fidelity validation of algorithmic strategies under realistic demand and traffic conditions. The simulation platform supported the development and evaluation of adaptive discount-based assignment algorithms, enhanced willingness-to-pay formulations, demographic-aware incentive mechanisms, and a proactive joint assignment and repositioning strategy. Simulation results demonstrated substantial gains in pooling uptake, average vehicle occupancy, energy efficiency, and fleet profitability. In Greenville, pooling adoption more than doubled, while reductions in vehicle-miles traveled and energy consumption were significant. In Austin, pooling improvements were achieved with minimal service-quality trade-offs, and profitability increased across all fleet sizes. Through this research, we developed a comprehensive understanding of the human factors barriers that limit user acceptance of pooled rideshare services. These insights enabled the design of human-factors-aware pooled rideshare technologies that more effectively address user concerns and improve adoption rates. By integrating these models into an advanced agent-based simulation framework, we demonstrated that higher adoption of pooled rideshare can lead to measurable improvements in energy efficiency and system performance. Together, these contributions establish a validated pathway from human-centered analysis to technology development and energy-saving outcomes, supporting national goals for more sustainable and efficient mobility systems.

Jia, Yunyi↗
DOE OSTI2021

Estimating Energy Bounds for Adoption of Shared Micromobility

Shared micromobility has garnered widespread popularity in recent years, but limited attention has been given to the energy impacts of trips replaced by micromobility. This paper investigates the energy bounds of shared micromobility adoption. Travel demand data at the national and city level were analyzed to identify trips that can be served through micromobility, and scenarios with varying levels of micromobility adoption were evaluated. Results show that peak adoption of shared micromobility can reduce energy consumption from reported passenger travel by 1% at the national level and 2.6% at the city level, with micromobility-induced transit trips identified as the largest contributor for energy reduction. Sensitivity analysis was carried out to show how the energy impacts would change with various levels of key micromobility-related parameters, and results show distance threshold having a stronger influence on the energy impacts, compared to redistribution energy intensity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Arsenic stabilization performance of a novel starch-modified Fe-Mn binary oxide colloid

Arsenic (As) is an environmentally hazardous contaminant and can be a serious threat to human health. In China, remediation needs for a large number of As-contaminated sites renders a strong demand for efficient remedial reagents and cost effective approaches. In this study, a novel starch-modified Fe-Mn binary oxide (SFM), an amorphous colloidal material, has been synthesized as a remedial reagent and its As stabilization performance has been evaluated. A set of laboratory batch experiments were carried out by directly adding SFM of different dosages into three contaminated soils. Results demonstrated that SFM could transform As in soil from non-specifically and specifically sorbed fractions to the more stable form bounded to amorphous iron hydrous oxides, thus reducing the As concentration in TCLP leachates by 42.0-93.2%. Results from adsorption tests and microscopic analysis indicated that the interactions between SFM and As are mainly controlled by adsorption, oxidation, and precipitation processes. SFM has abundant surface hydroxyl groups, with excellent adsorption properties for both As(V) and As(III), with the maximum adsorption capacities of 160.63 and 284.64 mg/g respectively at pH 7.0. The adsorption process closely fitted pseudo second-order kinetics and Freundlich isotherm model. SFM could increase soil Eh and oxidize As(III) to As(V), which facilitated the As stabilization in soilColloidal iron-based material directly used for stabilization in As contaminated soils is reported here for the first time. Starch modification improves both the reactivity and mobility of SFM in soil. Our findings propose an efficient and convenient reagent for As remediation in soil.

Yan, Xiulan↗
DOE OSTI2022

Effect of oxidative breakers on organic matter degradation, contaminant mobility and critical mineral release during shale-fracturing fluid interactions in the Marcellus Shale

Oil and gas production from organic-rich shale formations has become viable through advancements in multistage hydraulic fracturing. However, fluctuations in oil and gas prices, coupled with the sharp decline in gas production after the initial days of fracturing operations, drive operators to devise strategies for enhancing hydrocarbon production. The use of highly reactive fracturing fluids that include strong oxidizing agents, also known as breakers, can potentially increase well productivity. The oxidative breakers are used to reduce the viscosity of gel-based fluids after the proppant is transported into fracture zones of the target formation. These breakers can also degrade the organic matter, enhancing the release of hydrocarbons. However, chemical byproducts generated by the interaction of oxidative breakers with the shale matrix have not been extensively studied. Here, this study investigated the fluid-rock interactions between Marcellus Shale and synthetic hydraulic fracturing fluid (HFF) solutions comprising three different oxidative breakers, i.e., ammonium persulfate, sodium bromate, and sodium hypochlorite, commonly used in the Appalachian Basin, USA. Our results demonstrate that the type of oxidizing breakers used in the HFF controlled the type and amount of volatile organic compounds (VOCs) and semi-volatile organic compounds (SVOCs) produced. In all HFF reacted effluents, we observed the transformation of VOCs and the presence of organic acids in variable amounts. However, effluents from HFF containing sodium bromate and sodium hypochlorite breakers showed the presence of several halogenated organic compounds. Changes in major ions and mineralogy indicate that carbonate dissolution and barite precipitation were ubiquitous in all shale reacted effluents. Our results also demonstrate that the addition of oxidative breakers increased the concentration of several major and trace elements in the effluents. These elements fall under the critical mineral (CM) or critical element category due to their high demand in emerging technologies and susceptibility to supply chain disruption due to variety of factors. However, before oxidative breakers can be used at a larger field scale to enhance the release and recovery of CM and hydrocarbons, a better understanding is required of the potential environmental impacts associated with the generation and transformation of contaminants during breaker-fluid-rock interaction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Potential applications of microbial genomics in nuclear non-proliferation

As nuclear technology evolves in response to increased demand for diversification and decarbonization of the energy sector, new and innovative approaches are needed to effectively identify and deter the proliferation of nuclear arms, while ensuring safe development of global nuclear energy resources. Preventing the use of nuclear material and technology for unsanctioned development of nuclear weapons has been a long-standing challenge for the International Atomic Energy Agency and signatories of the Treaty on the Non-Proliferation of Nuclear Weapons. Environmental swipe sampling has proven to be an effective technique for characterizing clandestine proliferation activities within and around known locations of nuclear facilities and sites. However, limited tools and techniques exist for detecting nuclear proliferation in unknown locations beyond the boundaries of declared nuclear fuel cycle facilities, representing a critical gap in non-proliferation safeguards. Microbiomes, defined as “characteristic communities of microorganisms” found in specific habitats with distinct physical and chemical properties, can provide valuable information about the conditions and activities occurring in the surrounding environment. Microorganisms are known to inhabit radionuclide-contaminated sites, spent nuclear fuel storage pools, and cooling systems of water-cooled nuclear reactors, where they can cause radionuclide migration and corrosion of critical structures. Microbial transformation of radionuclides is a well-established process that has been documented in numerous field and laboratory studies. These studies helped to identify key bacterial taxa and microbially-mediated processes that directly and indirectly control the transformation, mobility, and fate of radionuclides in the environment. Expanding on this work, other studies have used microbial genomics integrated with machine learning models to successfully monitor and predict the occurrence of heavy metals, radionuclides, and other process wastes in the environment, indicating the potential role of nuclear activities in shaping microbial community structure and function. Results of this previous body of work suggest fundamental geochemical-microbial interactions occurring at nuclear fuel cycle facilities could give rise to microbiomes that are characteristic of nuclear activities. These microbiomes could provide valuable information for monitoring nuclear fuel cycle facilities, planning environmental sampling campaigns, and developing biosensor technology for the detection of undisclosed fuel cycle activities and proliferation concerns.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Rare Earth Element (REE) and Critical Mineral Fractions of Central Appalachian Coal-Related Strata Determined by 7-Step Sequential Extraction

Rare earth elements (REEs) and critical minerals (CMs) are used in many modern industries, including the automotive sector, generation and storage, clean energy, and defense. The demand for REEs is increasing, and the REE supply chain is unpredictable. The US has driven to assess non-conventional sources of REE (such as coal underclay) to identify domestic resources to stabilize this uncertainty in supply. Knowledge of the minerology, distribution, and modes of occurrence of REEs is integral to the assessment of non-conventional sources. Additionally, extraction techniques can be optimized and targeted when REE distribution in different solid fractions from source material is understood. In this study, four bituminous coal-related samples associated with the Lower and Middle Kittanning coal seams in the Appalachian Basin (US) underwent a seven-step sequential extraction procedure, primarily targeting the water-soluble, exchangeable, acid soluble, mildly reducible, moderately reducible, strongly reducible, and oxidizable fractions. The REE and other elements of interest from each extraction step were analyzed, and the percentages of element extracted from raw solids were calculated. REEs extracted from the total seven steps were reported as the extractable fraction, whereas the fractions in the residual solids were reported as the non-extractable fraction. Less than 6% of REE were extracted from three samples. Twenty-one percent of REE was extracted from the fourth sample, mainly from the steps targeting oxidizable and exchangeable phases. Co-extraction of critical metals (Co, Ni, Cu, and Zn) occurred during the oxidizable, exchangeable, acid soluble, and water-soluble steps for the four samples. In the extracted fractions, the four samples all exhibited a middle and heavy REE enrichment relative to light REE. The mobility of major cation (e.g., Ca, Fe, and P) and REE is associated with exchangeable, oxidizable, and acid soluble fractions. Non-extractable REE is likely held in refractory apatitic phases, and/or primary REE-phosphates (e.g., monazite and xenotime).

58 GEOSCIENCES↗