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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Reactions of U(DMSO) 8 (ClO 4 ) 4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C–C Coupling

Reactions have been carried out using UIV(DMSO) 8 (ClO 4 ) 4 with 2,2′:6′,2″-terpyridine (terpy) under nonaqueous conditions. At room temperature in acetonitrile, the combination of the U(IV) starting material with terpy resulted in a mixture containing [UO 2 (DMSO) 2 terpy][ClO 4 ] 2 ·MeCN, while increasing the water content led to the hydrolysis products [(UO 2 (DMSO)terpy) 2 (μ 2 –O)][ClO 4 ] 2 and [(UO 2 terpy) 2 (μ 2 –OH) 2 ][ClO 4 ] 2 ·MeCN·H 2 O. Performing the reaction at slightly elevated temperature with no added water led to the formation of [UO 2 sexipyridine][ClO 4 ] 2 ·MeCN. This new uranyl complex contains the hexadentate ligand 2,2′:6′,2″:6″,2″:6‴,2⁗:6⁗,2⁗′-sexipyridine, which formed in situ from the tetravalent uranium starting material, where photoexcited uranyl or in situ generated peroxide could have induced C–C coupling. Analysis of bonding in the dimeric uranyl species via quantum chemical methods revealed a small increase in covalency of the bridging oxo unit and a slightly greater stability compared to the bridging hydroxo compound, which causes a significant shift in the uranyl symmetric stretch in the Raman spectrum. Structural, spectroscopic, and computational comparisons are made across the series of compounds, providing insight into the bonding and reactivity of uranium in nonaqueous media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Root responses to elevated CO 2 , warming and irrigation in a semi-arid grassland: Integrating biomass, length and life span in a 5-year field experiment

Plant roots mediate the impacts of environmental change on ecosystems, yet knowledge of root responses to environmental change is limited because few experiments evaluate multiple environmental factors and their interactions. Inferences about root functions are also limited because root length dynamics are rarely measured. Using a 5-year experiment in a mixed-grass prairie, we report the responses of root biomass, length and life span to elevated carbon dioxide (CO 2 ), warming, elevated CO 2 and warming combined, and irrigation. Root biomass was quantified using soil cores and root length dynamics were assessed using minirhizotrons. By comparing root dynamics with published results for soil resources and above-ground productivity, we provide mechanistic insights into how climate change might impact grassland ecosystems. In the upper soil layer, 0–15 cm depth, both irrigation and elevated CO 2 alone increased total root length by twofold, but irrigation decreased root biomass and elevated CO 2 had only small positive effects on root biomass. The large positive effects of irrigation and elevated CO 2 alone on total root length were due to increases in both root length production and root life span. The increased total root length and life span under irrigation and elevated CO 2 coincided with apparent shifts from water limitation of plant growth to nitrogen limitation. Warming alone had minimal effects on root biomass, length and life span in this shallow soil layer. Warming and elevated CO 2 combined increased root biomass and total root length by c. 25%, but total root length in this treatment was lower than expected if the effects of CO 2 and warming alone were additive. Treatment effects on total root length and root life span varied with soil depth and root diameter. Synthesis. Sub-additive effects of CO 2 and warming suggest studies of elevated CO 2 alone might overestimate the future capacity of grassland root systems to acquire resources. In this mixed-grass prairie, elevated CO 2 with warming stimulated total root length and root life span in deeper soils, likely enhancing plant access to more stable pools of growth-limiting resources, including water and phosphorus. Therefore, these root responses help explain previous observations of higher, and more stable, above-ground productivity in these projected climate conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Performance Assessment of a Dual-purpose HP-TES for a Typical Year Comparing Different Climate Zones

Complete electrification of heating and cooling systems in the United States would overload the existing electrical grid. To this end, recent research efforts have focused on energy storage as one way to reduce ever-increasing peak electricity demands. One such technology is heat pump integrated thermal-energy storage (HP-TES) systems, which can enable load-shifting and reduce demand during peak hours. In this work, a Modelica model of a 4-Ton, dual-mode (heating and cooling) HP-TES system using a room-temperature phase-change material (PCM) integrated through a secondary hydronic loop was developed and simulated for a typical meteorological year in Riverside, CA (ASHRAE Climate Zone 2B), and Chicago, IL (ASHRAE Climate Zone 5A), for a DOE small office prototype building. The COP improvement and demand reduction were analyzed during the time-of-use peak hours along with the required recharge cycle energy demand. A typical summer in Riverside, CA resulted in model-predicted peak COP increases of 50 – 100% compared to the baseline heat pump, especially at higher outdoor temperatures, coupled with maximum peak energy reductions of 22%. During shoulder and winter season simulations, heating energy savings were higher as outdoor temperatures dropped below the PCM phase change temperature. For Chicago, IL, backup heating was necessary to meet the required system capacity for very cold ambient conditions, resulting in winter peak energy savings between 16 – 60% when accounting for backup heating requirements. The recharge energy was found to be mostly below the baseline HP energy during the peak. With improved component selections and controls, the recharge energy may be reduced. The outcomes from the simulations can provide first-order estimates for potential peak energy savings, challenges, and required controls in any location before conducting any field testing.

25 ENERGY STORAGE↗
DOE OSTI2022

Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti–Cu Catalysts

The dissociation of H 2 is an essential elementary step in many industrial chemical transformations, typically requiring precious metals. Here, we report a hierarchical nanoporous Cu catalyst doped with small amounts of Ti (npTiCu) that increases the rate of H 2 –D 2 exchange by approximately one order of magnitude compared to the undoped nanoporous Cu (npCu) catalyst. The promotional effect of Ti was measured via steady-state H 2 –D 2 exchange reaction experiments under atmospheric pressure flow conditions in the temperature range of 300–573 K. Pretreatment with flowing H 2 is required for stable catalytic performance, and two temperatures, 523 and 673 K, were investigated. The experimentally determined H 2 –D 2 exchange rate is 5–7 times greater for npTiCu vs the undoped Cu material under optimized pretreatment and reaction temperatures. The H 2 pretreatment leads to full reduction of Cu oxide and partial reduction of surface Ti oxide species present in the as-prepared catalyst as demonstrated using in situ ambient pressure X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. The apparent activation energies and pre-exponential factors measured for H 2 –D 2 exchange are substantially different for Ti-doped vs undoped npCu catalysts. Density functional theory calculations suggest that isolated, metallic Ti atoms on the surface of the Cu host can act as the active surface sites for hydrogen recombination. Furthermore, the increase in the rate of exchange above that of pure Cu is caused primarily by a shift in the rate-determining step from dissociative adsorption on Cu to H/D atom recombination on Ti-doped Cu, with the corresponding decrease in activation entropy that it produces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Computational and Experimental Investigation of Thermal-Mechanical- Chemical Mechanisms of High-burnup Spent Nuclear Fuel (SNF) Processes at Elevated Temperatures and Degradation Behavior in Geologic Repositories

The overarching goal of the combined computational and experimental R&D activities proposed in this project is to enhance understanding of the mechanisms and thermal-mechanical-chemical (TMC) parameters controlling the instant release fraction (IRF) and matrix dissolution of high-burnup (HB; burnup) spent nuclear fuels (SNFs) and the subsequent formation, stability, and phase transformations of SNF alteration products under long-term storage and geological disposal conditions. Uranium dioxide may undergo oxidative corrosion/alteration, and the IRF may be increased for HB SNF, both of which may affect environmental systems associated with SNF long-term storage and disposal. The oxidative matrix dissolution may form various complex uranyl-based phases, including a rich variety of oxides, silicates, carbonates and other secondary minerals in varied geological environments (e.g., studtite, metastudtite, amorphous uranyl peroxide, uranium trioxide, triuranium octoxide, schoepite, dehydrated schoepite, metaschoepite, becquerelite, soddyite, rutherfordine,...). These uranyl phases generally have higher mobility UO 2 +2 species than less soluble U 4+ phases. However, limited information on the thermodynamic properties and formation kinetics of these uranyl-bearing phases is available to predict explicitly paragenesis under the conditions relevant to long-term storage or disposal. The proposed project draws on complementary expertise and research backgrounds from the team members: (i) to apply a combined ab initio modeling (UNLV/UTEP and SNL) and experimental (UNLV) strategy investigating the high-temperature TMC mechanisms of alteration of SNF under α-radiolysis conditions; (ii) to investigate the mechanistic of phase transformations in UNF degradation products under various conditions expected in long-term storage systems (e.g. (UO 2 )O 2 (H 2 O) 4 → (UO 2 )O 2 (H 2 O) 2 → U 2 O 7 → UO 3 → U 3 O 8 ); (iii) to determine high-accuracy TMC parameters for complex uranyl-based phases formed in storage or geological disposal environments (e.g. UO 3 (H 2 O) 2 , Ca[(UO 2 ) 6 O 4 (OH) 8 ] 8 H 2 O, (UO 2 ) 2 (SiO 4 ) 3 2H 2 O,…). The unforeseen COVID-19 pandemic led to the laboratory/campus closure since March 2020, that resulted in a significant delay in reaching milestones in a satisfactory manner, due to (i) the statewide recommendation from stop-working to later limited work in the lab and work-from-home (WFH), (ii) no in-person interactions, and (iii) a hiring freeze at UNLV. Therefore, a no cost extension (10/01/2021- 9/30/2022) was requested to help make up the time we lost during the global pandemic in 2020-2021, leading to paradigm shifts in the focus of the project in the following three main tasks: Task 1 (Computational), Task 2 (Experimental), and Task 3 (Final report, due on 12/29/2022).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Commercial building HVAC demand flexibility with model predictive control: Field demonstration and literature insights

Model Predictive Control (MPC) for building Heating Ventilation and Air Conditioning (HVAC) systems is beginning to gain traction in the market, with a few controls companies incorporating it into their product offerings. However, it remains difficult to assess whether the energy cost savings are enough to justify the cost of MPC implementation for a particular building, given the limited number of reported demonstrations. For small commercial and residential buildings with relatively uniform systems, standardized approaches can help lower implementation costs. In contrast, for large buildings or district systems, the potential magnitude of cost savings could justify more customized solutions. Estimating the cost-effectiveness of MPC becomes more challenging for medium and large commercial buildings, where a one-size-fits-all solution may not be suitable, and the potential energy cost savings may be insufficient to justify a customized solution. To make MPC technology more appealing, incorporating additional value streams beyond energy efficiency alone can significantly increase its attractiveness. One such revenue stream is demand flexibility, in response to dynamic electricity prices, where MPC can leverage the thermal mass of the building to shift the load and support the grid. Building on an extensive literature review of MPC field studies focused on cost savings and demand flexibility, this paper presents the results of implementing MPC control in a large office building HVAC system in Berkeley, CA. Four different dynamic electricity price profiles were integrated into the MPC objective function to shift building demand while maintaining comfort, and field testing was performed with each price profile across four seasons. The results show potential for 40–65 % demand decrease percentage and up to 61 % annual cost savings compared to the existing rule-based control strategy, under the tested dynamic price scenarios. This paper also presents a sensitivity analysis on the cost savings with respect to the price profile variability, discusses the implementation effort for the price-responsive MPC, and compares the cost savings found in this study to those found in literature on the basis of dynamic price variability, or so-called Electricity Price Relative Standard Deviation.

Zanetti, Ettore↗
DOE OSTI2023

Hydroelectric Power and Hydrogen Production Integration

Hydropower-based hydrogen production could introduce opportunities for new revenue streams for hydropower plants, including from energy storage and regeneration as well as from sale of the hydrogen product to external markets. Hydrogen-based energy storage and regeneration could also help support Idaho Power’s decarbonization goals by decreasing dependence on fossil-based peaking power plants. Additionally, integration of hydrogen production with hydropower generation could help address the issue of low dissolved oxygen river water conditions that commonly accompany hydropower plant operations by utilizing the oxygen byproduct from an electrolytic hydrogen production process as a resource for mitigation of low dissolved oxygen water conditions. Comprehensive techno-economic analysis of the hybrid hydroelectric and hydrogen energy storage system has revealed critical insights into the pathways and considerations for optimizing the economic value and environmental benefits of such systems. Among the three identified pathways of natural gas blending, regeneration, and direct sale of hydrogen, the direct sale of hydrogen emerges as the most profitable, particularly given the current pricing dynamics of hydrogen and electricity. However, as we anticipate a future grid characterized by higher renewable energy penetration, the landscape may evolve, featuring lower average electricity prices, heightened fluctuations, and more significant seasonal variations. Consequently, the attractiveness of electricity regeneration through hydrogen and the benefits of long-duration hydrogen storage are expected to increase substantially in such a dynamic energy scenario. The careful selection of component sizes within the hybrid system proves to be paramount for ensuring cost-effectiveness. Notably, the size of the hydrogen market has emerged as a critical determinant for the optimal size of the electrolyzer. Hydrogen storage should be sized to meet energy shifting requirements. The appropriate size of the fuel cell/microturbine generator hinges on the shape of electricity prices and the available revenue streams derived from participating in grid services. Striking the right balance among these components is essential for maximizing the overall efficiency and profitability of the hydrogen facility. Furthermore, the by-product of electrolysis, namely oxygen, introduces an additional dimension to the system's functionality. The oxygen generated can be effectively utilized for dissolved oxygen (DO) mitigation, particularly with larger electrolyzer sizes capable of satisfying the complete oxygen demand for this purpose. While the economic benefits derived from saved oxygen purchase costs may be relatively modest compared to other revenue streams, the environmental advantages of repurposing oxygen for DO mitigation could help Idaho Power meet their environmental obligations. In addition to the identified factors shaping the viability of hybrid hydrogen production and hydroelectric generation, it is noteworthy that the integration of hydrogen energy storage offers a unique advantage during unusually wet years. In such periods of increased water inflow, the hydrogen storage capacity serves as a valuable supplement to the reservoir. By utilizing hydrogen energy storage as a complementary reservoir, the system gains flexibility in reservoir management when dealing with fluctuations in water availability.

08 HYDROGEN↗
DOE OSTI2024

End-Use Savings Shapes Measure Documentation: Window Film

This documentation focuses on a single end-use savings shape measure - window film. The window film studied in this analysis, called solar control film, is a passive retrofit solution for windows that does not involve window replacement. This type of film is composed of transparent, tinted, or metalized laminated polyester layers and can be attached to an existing window surface (either on the exterior or interior side of the window). The properties of the window film are designed to shift the thermal and optical performances of the overall glazing system in order to serve various needs the customer would have (e.g., heat, glare). While the practical goal of purchasing and installing a window film varies widely in the real market, this study only focuses on the goal of energy savings, and highlighting the corresponding emissions. Other important aspects that customers typically consider include visual comfort, privacy, aesthetics, ultraviolet protection, etc. Thus, in practice, customers often choose a window film product not only to save energy (or cost) but also to mitigate issues around glare, excessive light, daytime privacy, or inconsistent appearance of the building. Window film products that were modeled in this analysis significantly reduced the solar heat gain coefficient of the overall glazing system, resulting in better energy savings for buildings in hot climate regions. However, significantly reducing the solar heat gain coefficient that can block unfavorable heat during the summer can actually harm blocking favorable heat during the winter. By applying window films on a stock of buildings covering various load and weather conditions, this analysis highlights when (e.g., time of day) and where (e.g., geospacial location) we can save energy with window films.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

High-Burnup LOCA Burst Susceptibility BISON Analysis in PWRs and BWRs

Accurately assessing high-burnup fuel behavior during loss-of-coolant accidents (LOCAs) is essential for understanding fuel fragmentation, relocation, and dispersal (FFRD) risks across the US light-water reactor fleet. This work updates previous Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program multiphysics LOCA analyses for a pressurized water reactor (PWR) and a boiling water reactor (BWR) by incorporating recent model and material property advancements in the BISON fuel performance code, including a high-burnup structure (HBS) model, revised cladding burst criteria, and updated thermal–mechanical correlations. This update was needed to support ongoing industry initiatives and upcoming regulatory changes. Full-core, rod-resolved operating histories generated using Virtual Environment for Reactor Analysis (VERA) and system-level LOCA conditions obtained from TRACE were applied to statistically representative rod samples in BISON to evaluate burst behavior and FFRD susceptibility. These calculations used two cladding burst correlations and three fuel pulverization models so that the predictions of these models could be compared. The updated PWR simulations show markedly improved numerical stability as the number of crashed simulations decreased by 95% compared to the previous study, and hence higher confidence in results. The updated PWR simulations predicted cladding bursts exclusively among once-burned, high-power rods, with two different cladding burst models identifying the same burst-susceptible population. Resulting FFRD susceptibility estimates are significantly reduced compared with earlier studies, driven by cooler predicted fuel and plenum temperatures, lower hoop strains, and reduced fission gas release in the updated models. In contrast, none of the BWR rods were predicted to burst under either burst criterion, reaffirming minimal BWR FFRD susceptibility even with updated HBS and material models. Comparisons between the PWR and BWR end-of-cycle predictions are made. Comparison with prior work highlights significant shifts in PWR fuel performance metrics and confirmation of earlier BWR conclusions. Overall, the updated results underscore the importance of having high-resolution detailed modeling capability and continuously integrating evolving material models and physics into high-resolution multiphysics simulations. The unified assessment presented here strengthens confidence in predicting high-burnup LOCA behavior by improving agreement between different cladding burst correlations. These results also provide an improved foundation for future BISON model development, FFRD susceptibility calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Climate-Water Impacts on Interconnection-Scale Electricity System Planning

A growing literature emphasizes the importance of integrating climate change impacts into electricity system planning. Rising average temperatures can increase and shift electricity demand while reducing generator and transmission efficiency. Changes to water availability and quality can reduce the output of thermally cooled generators and hydropower. Electric power grids across the US and globally are undergoing transformational changes that present new opportunities and challenges to reliability assurance. However, electric utilities and system operators have limited internal capabilities to incorporate these effects into planning practices. This work addresses gaps in utility and system planner practices by integrating climate-water-electricity expertise from universities and U.S. Department of Energy National Laboratories with electricity system planners and stakeholders in the Western Electricity Coordinating Council (WECC). Using a highly collaborative approach, global climate model data, high-resolution hydrology models, and long-term electric sector capacity expansion tools are employed to analyze a range of climate outcomes for future electricity scenarios aligned with recent WECC planning studies. Doing so allows WECC to expand its climate-agnostic planning assessments to consider how future temperature and precipitation patterns could influence generation and transmission planning. We explore how changes to climate-water conditions can affect power plant investment and operation, system economics, and environmental impacts, providing an expanded perspective on interconnection-wide decision making under climate uncertainty.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Effect of elevation, season and accelerated snowmelt on biogeochemical processes during isolated conifer needle litter decomposition

Increased drought and temperatures associated with climate change have implications for ecosystem stress with risk for enhanced carbon release in sensitive biomes. Litter decomposition is a key component of biogeochemical cycling in terrestrial ecosystems, but questions remain regarding the local response of decomposition processes to climate change. This is particularly complex in mountain ecosystems where the variable nature of the slope, aspect, soil type, and snowmelt dynamics play a role. Hence, the goal of this study was to determine the role of elevation, soil type, seasonal shifts in soil moisture, and snowmelt timing on litter decomposition processes. Experimental plots containing replicate deployments of harvested lodgepole and spruce needle litter alongside needle-free controls were established in open meadows at three elevations ranging from 2,800–3,500 m in Crested Butte, Colorado. Soil biogeochemistry variables including gas flux, porewater chemistry, and microbial ecology were monitored over three climatically variable years that shifted from high monsoon rains to drought. Results indicated that elevation and soil type influenced baseline soil biogeochemical indicators; however, needle mass loss and chemical composition were consistent across the 700 m elevation gradient. Rates of gas flux were analogously consistent across a 300 m elevation gradient. The additional variable of early snowmelt by 2–3 weeks had little impact on needle chemistry, microbial composition and gas flux; however, it did result in increased dissolved organic carbon in lodgepole porewater collections suggesting a potential for aqueous export. In contrast to elevation, needle presence and seasonal variability of soil moisture and temperature both played significant roles in soil carbon fluxes. Furthermore, during a pronounced period of lower moisture and higher temperatures, bacterial community diversity increased across elevation with new members supplanting more dominant taxa. Microbial ecological resilience was demonstrated with a return to pre-drought structure and abundance after snowmelt rewetting the following year. These results show similar decomposition processes across a 700 m elevation gradient and reveal the sensitivity but resilience of soil microbial ecology to low moisture conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Seawater Acidification and Bubble Plume Dispersion from Accidental Subsea CO 2 Pipeline Rupture: A Multiphase CFD Study

If a CO 2 reservoir or transmission pipeline were to leak, both the surrounding ecology and maritime traffic safety could be put at risk. To better understand and prepare for this risk, multiphase Computational Fluid Dynamics (CFD) models were built in ANSYS Fluent to capture the behavior of a leak once it enters the water. A 3D Eulerian–Eulerian model was used for validation, while a simplified 2D model was applied to simulate conditions at a 50-m depth. The models integrate bubble dynamics, gas holdup, CO 2 dissolution, dissolved species transport, and seawater acidification into a unified CFD framework. Mass transfer was calculated using the Hughmark correlation, and local seawater temperature and salinity were factored in to determine dissociation behavior and the relevant Henry’s Law constant. To confirm the 3D model’s accuracy, results were checked against two experimental datasets: the QICS field study and the Hauser Tank experiments. The team also modeled a hypothetical release scenario at the High Island 10L site and compared the results with earlier published work. The results show that at a depth of 50 m, the surrounding water column can completely absorb a CO 2 release at a rate of 35 kg/s, since the gas dissolves into the seawater as it rises toward the surface. Beyond confirming this mitigation capacity, the simulations shed light on how a leak would actually unfold in the environment, including the shape and movement of the rising bubble plume, how much CO 2 dissolves along the way, and the resulting shifts in seawater pH and pCO 2 . Together, this provides a practical framework for assessing how CO 2 leaks could affect marine environments in the Gulf of Mexico.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Theoretical Investigation of Solvent Effects on the Hydrodeoxygenation of Propionic Acid over a Ni(111) Catalyst Model

The effect of two solvents, liquid water and 1,4-dioxane, has been studied from first principles on the hydrodeoxygenation of propionic acid over a Ni (111) catalyst surface model. A mean-field microkinetic model was developed to investigate these effects at a temperature of 473 K. Under all reaction conditions, a decarbonylation mechanism is favored significantly over a decarboxylation pathway. Although no significant solvent effects were observed on the decarbonylation rate, a substantial solvent stabilization of two key surface intermediates in the decarboxylation mechanism, CH 3 CCOO and CH 3 CHCOO, lead to a notable increase of the decarboxylation rate by two orders of magnitude in liquid water and by one order of magnitude in liquid 1,4-dioxane. Furthermore, a significant solvent stabilization of the transition state of C-H bond cleavage of the α-carbon of CH 3 CHCO, relative to the stabilization of the C-C bond cleavage of the α-carbon of CH 3 CHCO, leads to a change in dominant pathway in the liquid phase environments. Finally, a sensitivity analysis shows that the C-OH bond cleavage of propionic acid and C-C bond cleavage of the α-carbon of CH 3 CHCO are the most rate controlling states in the gas phase. In contrast, in solvents the dehydrogenation of CH 3 CHCO becomes the most influential step. This shift in rate controlling state is attributed to the solvent effect on the dehydrogenation of CH 3 CHCO, which is facilitated in aqueous phase. Altogether, it is likely that the investigated (111) facet of Ni is not active for the hydrodeoxygenation of propionic acid in neither the gas nor liquid phase and other Ni facets or phases must be responsible for the experimentally observed kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Observational evidence for groundwater influence on crop yields in the United States

As climate change shifts crop exposure to dry and wet extremes, a better understanding of factors governing crop response is needed. Recent studies identified shallow groundwater—groundwater within or near the crop rooting zone—as influential, yet existing evidence is largely based on theoretical crop model simulations, indirect or static groundwater data, or small-scale field studies. Here, we use observational satellite yield data and dynamic water table simulations from 1999 to 2018 to provide field-scale evidence for shallow groundwater effects on maize yields across the United States Corn Belt. We identify three lines of evidence supporting groundwater influence: 1) crop model simulations better match observed yields after improvements in groundwater representation; 2) machine learning analysis of observed yields and modeled groundwater levels reveals a subsidy zone between 1.1 and 2.5 m depths, with yield penalties at shallower depths and no effect at deeper depths; and 3) locations with groundwater typically in the subsidy zone display higher yield stability across time. We estimate an average 3.4% yield increase when groundwater levels are at optimum depth, and this effect roughly doubles in dry conditions. Groundwater yield subsidies occur ~35% of years on average across locations, with 75% of the region benefitting in at least 10% of years. Overall, we estimate that groundwater-yield interactions had a net monetary contribution of approximately $10 billion from 1999 to 2018. This study provides empirical evidence for region-wide groundwater yield impacts and further underlines the need for better quantification of groundwater levels and their dynamic responses to short- and long-term weather conditions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Catalyst-Specific Accelerated Stress Tests in Proton Exchange Membrane Low-Temperature Electrolysis for Intermittent Operation

Device-level stress tests are developed that focus on anode catalyst layer degradation and future anticipated operating conditions, including intermittent load and reduced platinum group metal content. Square-wave cycles with an upper load limit of 2.5 A cm -2 are utilized to screen commercial iridium (Ir) materials. Performance losses are primarily due to decreasing kinetics and are accompanied by catalyst migration into the membrane, worsening catalyst/ionomer integration, and weakening of the catalyst/membrane interface. For ruthenium-containing catalysts, the in situ performances are higher but durabilities lower than Ir baselines, and any performance advantage is lost within the test. Increased loss is likely due to the higher dissolution rate; microscopy confirmed greater degrees of ruthenium migration. For Ir metal or mixed oxides, ex situ activity improvements generally did not translate to in situ performance. The durability, however, is significantly lower and the loss rate increased from 3 (oxide) to 9 (metal) μ V cycle -1 . These results are consistent with historical findings in literature, rationalize the continued use of iridium oxide as a baseline catalyst, and demonstrate that traditional catalyst development approaches may not improve device-level durability when focused on low-cost applications. A shift in focus may therefore be more effective at improving catalyst utilization and lessening load requirements.

08 HYDROGEN↗
DOE OSTI2022

Riparian vegetation composition and diversity shows resilience following cessation of livestock grazing in northeastern Oregon, USA

Riparian ecosystem restoration has been accomplished through exclusion of livestock using corridor fencing along hundreds of kilometers of streams in the western United States, for the benefit of riparian-obligate wildlife and endangered fishes. Yet, there are limited scientific studies that have evaluated more than short-term shifts in vegetation composition and diversity at a single location or handful of locations following grazing. We sampled riparian vegetation composition along 11-paired grazed and ungrazed (exclosed) stream reaches in northeastern Oregon. Exclosure ages ranged from 2 to >30 years and grazing treatments varied from light grazing every one out of three years to heavy season-long grazing. Species richness and diversity was higher in the ungrazed reaches (p = 0.002). The abundance of native sedges ( Carex spp.) and broad-leaved forbs were also significantly (p ≤ 0.05) greater in ungrazed areas. In contrast, exotic species adapted to grazing such as Poa pratensis and Trifolium repens were more abundant in grazed stream reaches. The prevalence of hydrophytic species significantly increased (p ≤ 0.01) in ungrazed reaches, (based on wetland species indicator scores), indicating that wetland-dominated communities within the ungrazed stream reaches were replacing ones adapted to drier environments. The increased abundance of facultative and wetland-obligate species in ungrazed reaches compared to grazed reaches suggests that livestock grazing exacerbates those climate change effects also leading to warmer and drier conditions. Further, riparian-obligate shrub cover along the streambank was higher in 7 of 8 exclosures that were older than 5 years (p = 0.05). As a restoration approach, the inherent resilience of riparian ecosystems exhibited in ungrazed riparian zones suggest positive feedbacks to other beneficial ecosystem processes such as increased species and habitat diversity, increased carbon sequestration, enhanced allochthonous inputs and greater sediment retention, that would affect the aquatic and terrestrial biota, water quality, and stream morphology.

Kauffman, J. Boone (ORCID:0000000290202815)↗
DOE OSTI2021

Drought legacies mediated by trait trade‐offs in soil microbiomes

Abstract Soil microbiomes play a key role in driving biogeochemical cycles of the Earth system. As drought frequency and intensity increase due to climate change, soil microbes and the processes they control will be impacted. Even after a drought ends, microbiomes and other systems take time to recover and may display a memory of previous climate conditions. Still, the mechanisms involved in these legacy effects remain unclear, making it difficult to predict climate and biogeochemical rates in the future. Here, we used a trait‐based microbiome model (DEMENTpy) to implement trade‐off‐mediated mechanisms that may lead to drought legacy effects on litter decomposition. Trade‐offs were assumed to follow the Y‐A‐S framework that defines three primary life‐history strategies of microorganisms: high growth Yield, resource Acquisition, and Stress tolerance. We represented cellular trade‐offs between osmolytes required for drought tolerance and investment in enzymes involved in litter decomposition. Simulations were run under varying levels of drought severity and dispersal. With high levels of dispersal, no legacy effects were predicted by DEMENTpy following drought. With limited dispersal, severe drought resulted in a persistent legacy of altered community‐level traits and reduced litter decomposition. Moderate drought resulted in a transient legacy that disappeared after two years, consistent with recent empirical observations in Southern California ecosystems. These results imply that greater movement along the trade‐off between enzyme investment and osmolyte production resulted in stronger legacy effects. More generally, factors that shift the position of a microbiome in YAS space may alter the legacy outcome following drought. Our trait‐based modeling study motivates additional empirical measurements to quantify YAS traits and trade‐offs that are needed to make accurate predictions of soil microbiome resilience and functioning. Also, our study illustrates an emerging approach for representing trait trade‐offs in microbiomes and vegetation that dictate ecosystem responses to drought and other environmental perturbations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

High-pressure neutron diffraction at ultra-low temperature

Neutron diffraction is a powerful tool in the study of quantum materials and associated emergent phenomena as it allows for direct detection of magnetic structure even at ultra-low temperatures. As pressure can drive systems across quantum critical points and tune emergent behaviors at the quantum scale, coupling neutron diffraction with extreme conditions of high pressure at (ultra-)low temperatures has been a key research target over decades. This has proven challenging as magnetic neutron diffraction typically requires large sample volumes due to flux limitations, whereas high-pressure studies require small sample volumes due to pressure limitations. Combining these two contradictory requirements poses many difficulties, but also brings opportunities in research and development. Here, we address these shortcomings through the use of a diamond anvil cell equipped with polycrystalline anvils with relatively large sample volumes coupled with the high neutron flux made available by the high-pressure diffractometer of the Spallation Neutron Source. This particular diamond anvil cell configuration has previously proven useful for single-crystal samples and is here coupled with the ultra-low temperatures of a dilution refrigerator for the first time. Our study on a single crystal of Yb 2 ⁢O 3 successfully collected magnetic neutron diffraction data at 5.3 GPa below 200 mK inside a dilution refrigerator. We have performed a detailed analysis of the magnetic diffraction data to investigate the magnetic structure under pressure and observed a subtle shift in the transition temperature. This development will open the door for future studies on magnetic materials with these much-desired coupled extremes of high pressure and ultra-low temperatures.

Wu, Yan [Oak Ridge National Laboratory (ORNL), Oak↗