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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Exsolution-Driven Surface Transformation in the Host Oxide

Exsolution synthesizes self-assembled metal nanoparticle catalysts via phase precipitation. An overlooked aspect in this method thus far is how exsolution affects the host oxide surface chemistry and structure. Such information is critical as the oxide itself can also contribute to the overall catalytic activity. Here, combining X-ray and electron probes, we investigated the surface transformation of thin-film SrTi 0.65 Fe 0.35 O 3 during Fe 0 exsolution. We found that exsolution generates a highly Fe-deficient near-surface layer of about 2 nm thick. Moreover, the originally single-crystalline oxide near-surface region became partially polycrystalline after exsolution. Such drastic transformations at the surface of the oxide are important because the exsolution-induced nonstoichiometry and grain boundaries can alter the oxide ion transport and oxygen exchange kinetics and, hence, the catalytic activity toward water splitting or hydrogen oxidation reactions. These findings highlight the need to consider the exsolved oxide surface, in addition to the metal nanoparticles, in designing the exsolved nanocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deciphering the incipient phases of ice-mineral interactions as a precursor of physical weathering

Atmospheric ice formation influences Earth’s global hydrological cycle and is widely studied. In contrast, the intricacies of freeze-thaw processes in natural soils, such as whether ice nucleation on mineral surfaces is affected by biological activity, needs additional insight. In-situ ice formation on unreacted grains and grains exposed to field and laboratory weathering conditions was studied at the submicron scale using an ice nucleation chamber interfaced with an environmental scanning electron microscope. We found that ice nucleation activity differed by treatment. Unreacted grains and fungal-mineral interfaces displayed ice formation along edges and fractures. Conversely, grains with mineral coatings, seemingly from biological activity, exhibited water uptake and ice nucleation on the coatings themselves. Our results suggest that in natural soils, mineral coatings can influence where and how ice forms. This ultimately affects weathering and nutrient release to the biosphere, with direct consequences for interactions between the atmosphere and geosphere.

Lybrand, Rebecca A.↗
DOE OSTI2022

Dynamic Responses of Trace Metal Bioaccessibility to Fluctuating Redox Conditions in Wetland Soils and Stream Sediments

Natural aquatic systems undergo fluctuating redox conditions due to microbial activity, varying water saturation levels, and nutrients dynamics. With fluctuating redox conditions, trace metals can mobilize or sequester in response to changes in iron and sulfur speciation and the concentrations and lability of organic carbon. This study examined the effect of redox fluctuations on trace metal mobility in samples collected from two different natural aquatic systems: riparian wetlands and a stream. The wetland soils contained low sulfur and total Fe contents as compared to stream sediments. The mineral composition at both sites was dominated by quartz. We incubated water-saturated soils under three cycles of anoxic-oxic conditions (τanoxic:τoxic = 3) spanning 24 days and monitored the change in dissolved and bioavailable metal concentrations. For both natural systems, reduction of iron oxides under anoxic conditions caused Co and Zn release. In contrast, oxidation of sulfides mobilized Cu under oxic conditions in both sites. In wetland soils, dissolution of Fe (hydr)oxides increased Ni solubility; however, in stream sediments, Ni release occurred when sulfides or organic matter were oxidized. For stream sediments, each subsequent redox cycle increased the bioavailability of trace metals. Redox fluctuations in wetland soils increased bioavailable Zn and Cu and decreased bioavailable Ni and Co. This study illustrates that different trace metals display distinct bioavailability patterns during redox fluctuations in natural environments. The biogeochemical cycling of nutrients in systems with redox fluctuations may be influenced by these trace metal availability patterns in addition to the availability of electron donors and acceptors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Incorporation of Ion Transport Chains into Multivariate MOF for Improved Water Oxidation

The climate crisis demands clean energy technologies to cut CO 2 emissions from fossil fuels. Hydrogen fuel cells and solar-driven CO 2 reduction are promising, but both rely on efficient water oxidation. Polypyridyl ruthenium complexes are active catalysts for water oxidation; however, they exhibit poor stability and recyclability. Our group improved performance by embedding these complexes into metal−organic frameworks (MOFs). As water oxidation is pH-dependent, proton management further enhances reactivity. To address the issue, we introduced proton transfer pathways into the MOF structure. Specifically, we incorporated −SO 3 H groups onto the biphenyl linkers of UiO-67 loaded with [Ru(tpy)(dcbpy)OH 2 ]PF 6 catalyst (where tpy = 2,2′:6′,2″-terpyridine; dcbpy = 5,5-dicarboxy-2,2′- bipyridine). The sulfonated MOF exhibited a 2.5-fold increase in oxygen evolution compared to the nonsulfonated analogue. After 1 h of electrolysis, the sulfonated MOF exhibited a turnover number of 25 for oxygen evolution reaction compared to 10 for the native MOF, demonstrating the benefits of built-in proton management.

Catalysts↗
DOE OSTI2023

Tripogon loliiformis tolerates rapid desiccation after metabolic and transcriptional priming during initial drying

Abstract Crop plants and undomesticated resilient species employ different strategies to regulate their energy resources and growth. Most crop species are sensitive to stress and prioritise rapid growth to maximise yield or biomass production. In contrast, resilient plants grow slowly, are small, and allocate their resources for survival in challenging environments. One small group of plants, termed resurrection plants, survive desiccation of their vegetative tissue and regain full metabolic activity upon watering. However, the precise molecular mechanisms underlying this extreme tolerance remain unknown. In this study, we employed a transcriptomics and metabolomics approach, to investigate the mechanisms of desiccation tolerance in Tripogon loliiformis , a modified desiccation-tolerant plant, that survives gradual but not rapid drying. We show that T. loliiformis can survive rapid desiccation if it is gradually dried to 60% relative water content (RWC). Furthermore, the gene expression data showed that T. loliiformis is genetically predisposed for desiccation in the hydrated state, as evidenced by the accumulation of MYB, NAC, bZIP, WRKY transcription factors along with the phytohormones, abscisic acid, salicylic acid, amino acids (e.g., proline) and TCA cycle sugars during initial drying. Through network analysis of co-expressed genes, we observed differential responses to desiccation between T. loliiformis shoots and roots. Dehydrating shoots displayed global transcriptional changes across broad functional categories, although no enrichment was observed during drying. In contrast, dehydrating roots showed distinct network changes with the most significant differences occurring at 40% RWC. The cumulative effects of the early stress responses may indicate the minimum requirements of desiccation tolerance and enable T. loliiformis to survive rapid drying. These findings potentially hold promise for identifying biotechnological solutions aimed at developing drought-tolerant crops without growth and yield penalties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

The high-yield direct synthesis of dimethyl ether from CO 2 and H 2 in a dry reaction environment

Direct dimethyl ether (DME) synthesis from CO 2 and H 2 is considered a promising production route. However, this process is thermodynamically and kinetically restricted by the presence of water as a byproduct. In this study, a water-conduction membrane was incorporated into the direct DME synthesis reactor to generate a dry reaction environment. In the absence of water, the activities of the CO 2 hydrogenation catalyst (CZA) and methanol dehydration catalyst (HZSM-5) were boosted 4- and 10-fold, respectively, and single-pass CO 2 conversion of up to 73.4%, far beyond equilibrium, and DME yields of up to 54.5% were obtained. Moreover, the good protection of the catalysts against fast deactivation was demonstrated.

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

Optimizing pulsed laser deposition of crystalline BiVO 4 thin films on yttrium-stabilized zirconia (110) substrates

Here, different conditions are explored to understand their effects on the pulsed laser deposition of BiVO 4 water splitting photoanodes, over YSZ (110) substrates. A two-step deposition (TSD) method can independently tune nucleation and bulk film growth, leading to the formation of a phase pure, crystalline BiVO 4 film with optimized water splitting activities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulation of a scintillator-based fast ion loss detector for steady-state operation in Wendelstein 7-X (invited)

A quantitative theoretical framework has been created to model neutral beam injection and fast ion losses in the Wendelstein 7-X (W7-X) stellarator, including a novel method to develop synthetic diagnostics for fast ion loss detectors (FILDs) of many types, such as scintillating and Faraday Cup FILDs. This is the first time that this has been done in stellarator geometry with this level of fidelity, providing a way for fast ion losses to be predicted more precisely in future stellarator experiments and in W7-X. Simulations of the signal seen by a Faraday Cup FILD have been completed for multiple W7-X plasmas and show close agreement with the measured signals. This method is now applied to an actively water-cooled, scintillator-based FILD, which is currently in development to measure the fast ion loss distribution in W7-X in greater detail. The design makes use of a double slit to measure energy-and-pitch-angle-resolved losses of both co-going and counter-going fast ions. The diagnostic, which can be inserted to different radial positions, has been designed to withstand steady-state heat fluxes of up to 120 kW/m 2 along with additional transient heat loads of 100 kW/m 2 lasting for up to 20 s at a time. Simulations of W7-X standard magnetic configuration show up to 8 × 10 13 (s –1 cm –2 ) ion fluxes onto the sensor from each neutral beam source and no signal from the counter-going slit. Finally, these simulations will help inform experimental proposals for future W7-X campaigns after installation of this diagnostic.

3D printing↗
DOE OSTI2023

Water dissociation at the water–rutile TiO 2 (110) interface from ab initio-based deep neural network simulations

The interaction of water with TiO 2 surfaces is of crucial importance in various scientific fields and applications, from photocatalysis for hydrogen production and the photooxidation of organic pollutants to self-cleaning surfaces and bio-medical devices. In particular, the equilibrium fraction of water dissociation at the TiO 2 –water interface has a critical role in the surface chemistry of TiO 2 , but is difficult to determine both experimentally and computationally. Among TiO 2 surfaces, rutile TiO 2 (110) is of special interest as the most abundant surface of TiO 2 ’s stable rutile phase. While surface-science studies have provided detailed information on the interaction of rutile TiO 2 (110) with gas-phase water, much less is known about the TiO 2 (110)–water interface, which is more relevant to many applications. In this work, we characterize the structure of the aqueous TiO 2 (110) interface using nanosecond timescale molecular dynamics simulations with ab initio-based deep neural network potentials that accurately describe water/TiO 2 (110) interactions over a wide range of water coverages. Simulations on TiO 2 (110) slab models of increasing thickness provide insight into the dynamic equilibrium between molecular and dissociated adsorbed water at the interface and allow us to obtain a reliable estimate of the equilibrium fraction of water dissociation. We find a dissociation fraction of 22 ± 6% with an associated average hydroxyl lifetime of 7.6 ± 1.8 ns. These quantities are both much larger than corresponding estimates for the aqueous anatase TiO 2 (101) interface, consistent with the higher water photooxidation activity that is observed for rutile relative to anatase.

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

Advances in the long-pulse steady-state high beta H-mode scenario with active controls of divertor heat and particle fluxes in EAST

Since the last IAEA-Fusion Energy Conference, the Experimental Advanced Superconducting Tokamak (EAST) research program has been, in support of ITER and CFETR, focused on development in terms of the long-pulse steady-state (fully noninductive) high beta H-mode scenario with active controls of the stationary and transient divertor heat and particle fluxes. The operational domain of the steady-state H-mode plasma scenario has been significantly extended with ITER-like tungsten mono-block divertor, plasma control and heating schemes. EAST has achieved several important milestones in the development of high β p H-mode scenario and its key physics and technologies. A 60 s-scale long-pulse steady-state high β p H-mode discharge with the major normalized plasma parameters similar to the designed performance of the CFETR 1GW fusion power operation scenario has been successfully established and sustained by pure RF heating and current drive. Several feedback control schemes have been developed for a sustained detachment with good core confinement. This includes control of the total radiation power, target electron temperature, and particle flux measured using divertor Langmuir probes or a combination of the control of target electron temperature and AXUV radiation near the X point. The detachment feedback control schemes have been integrated with small-ELM regimes and high β p scenario via neon seeding, enabling a core and edge compatible integrated high-beta scenario applicable to long-pulse operations. ELM suppression has been achieved using various methods, including resonant magnetic perturbations and impurity seeding. Full suppression of ELMs by using n=4 RMPs has been demonstrated for ITER for the first time in low input torque plasmas in EAST. Finally, EAST has been operated with helium to support the ITER research requirements for the first time. For a long-pulse, high bootstrap current fraction operation, a new lower tungsten divertor with active water-cooling has been installed, along with improvements in the heating and current drive capability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Assessing the complex influences of water management on hydrological drought characteristics in Texas

The state of Texas in the United States is highly susceptible to drought. Its major rivers are subject to extensive water management (WM) activities in order to sustain multisectoral water demands, particularly during drought conditions. However, the impact of WM on the propagation dynamics and characteristics of hydrological drought (HD) in Texas remains unclear. To fill this gap, this study quantifies the influence of WM across 32 streamflow gauges along the mainstems of seven major rivers in Texas by comparing a variety of drought metrics under natural and managed conditions. Notably, we leveraged an extensive, naturalized streamflow dataset constructed by the Texas Commission on Environmental Quality, paired with gauge observations of managed conditions. Results indicate that at the multi-decadal scale, WM significantly reduced HD frequency across all seven rivers and at 81% of the gauges analyzed. Additionally, it increased the response timescale of HD across Texas’ major rivers by a median of 2.5 months. Conversely, the average-event duration and severity increased in most locations. Temporal analysis reveals that the WM impact on HD varied seasonally, with attenuation effects during mid-summer and early fall and intensification effects during late winter and spring. Additionally, WM was found to greatly increase the spatial variability of HD characteristics across the region. These findings emphasize the complexity of WM effects on HD and the necessity for nuanced strategies in managing HD under WM influences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Radionuclide-specific Parameters Dataset

The radionuclide-specific parameters dataset is searchable for radiological information for multiple isotopes simultaneously. After selecting radionuclides of interest and the desired parameters, the RAIS will generate a table containing the values, chosen according to an established hierarchy. Results can be downloaded in Excel format. 50 parameters are available, including atomic number, soil to animal transfer coefficients, plant uptake coefficients, half-life, specific activity, and water solubility. Seven primary sources are used to populate the dataset of radiological-specific parameters. These values should be used in cancer risk assessments for the calculation of preliminary remediation goals (PRGs), hazard characterization, and transport modeling. Users can select up to 1000 radionuclides per query. The dataset supports environmental risk assessments, regulatory decision-making, and environmental planning with tools for benchmarking against risk-based standards. This structured approach ensures a robust evaluation of environmental risks tailored to regulatory needs.

Manning, Karessa [Oak Ridge National Laboratory (O↗
DOE OSTI2021

Data from: "Colonisation of the alpine tundra by trees: alpine neighbours assist late-seral but not early-seral conifer seedlings"

This archive contains data used to support conclusions made in “Colonisation of the alpine tundra by trees: alpine neighbours assist late-seral but not early-seral conifer seedlings”, by Jabis et al., 2020. Data were collected in the alpine field location of the Alpine Treeline Warming Experiment (ATWE), on Niwot Ridge, in the Front Range of the Colorado Rocky Mountains, USA.This package includes survivorship and physiology data for limber pine (Pinus flexilis), Engelmann spruce (Picea engelmannii), and Rocky Mountain snowlover (Chionophila jamesii). Site climate data such as soil moisture and temperature are also included. This data package contains ten comma-separated-values (.csv) files, and two rich-text-format (.rtf) files all compressed within one folder named “Neighbor_data_repository.zip”. Both file types can be opened by text-edit softwares such as TextEdit (Mac) and Notepad (Windows). The files are also compatible with analyses softwares such as R. .csv files can also be opened by Microsoft Excel. Two geospatial datasets are also included in this archive: one keyhole markup language (.kml) file with four points marking the corners of the study site, and a compressed file containing two ESRI shapefiles (.shp). The .kml files can be opened with Google Earth or Google Maps, and the shapefiles can be opened using any geographic information system applications, including the entire ArcGIS suite, and QGIS. -------------------------------------------------------------------------------------------------------------------------------------------------------The elevation mountain treeline is expected to shift upward with climate warming, and seed germination and seedling survival are critical local controls on treeline expansion. Neighboring alpine plants, either through competition for resources or through altering the microclimate, can also affect seedling emergence and survival. We asked whether establishing tree seedlings and an alpine herb are similarly sensitive to alpine plant neighbours under ambient and altered climate. We imposed active heating, watering, and neighbor removal experiments for emerging conifer seedlings and an alpine herb.We compared target plant survival, photosynthetic efficiency, and water use efficiency under ambient and experimental conditions. Picea engelmannii seedlings showed lower survival compared with Pinus flexilis three weeks following neighbour removal, and after 1 year only survived in watered plots. Pinus seedlings responded to neighbour removal by lowering the quantum yield of photosynthesis (ϕPSII). Contrary to expectations from the stress gradient hypothesis, survival was reduced without neighbours near the low-elevation range limit of Chionophila jamesii.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effect of fluctuating redox conditions on trace metal release from wetland soils from South Carolina and stream sediments from Tennessee

Natural aquatic systems undergo fluctuating redox conditions due to microbial activity, varying water saturation levels, and nutrients dynamics. With fluctuating oxic and anoxic conditions, trace metals can be mobilized or sequestered in response to changes in iron and sulfur speciation and the concentrations and lability of organic carbon. We conducted a systematic laboratory-based microcosm study to examine the effect of redox fluctuations on trace metal mobility in samples collected from two different natural aquatic systems: riparian wetlands and a stream. We incubated water-saturated soils under three cycles of anoxic-oxic conditions (τanoxic:τoxic = 3) spanning 24 days and monitored the change in dissolved and bioavailable metal (copper (Cu), nickel (Ni), zinc (Zn), cobalt (Co), iron (Fe), and manganese (Mn)) concentrations. The dataset includes the results of the variation in metal concentrations due to redox fluctuations in wetland soils and stream sediments. Additionally, the variation in the bioavailable concentration of metals obtained using passive samplers based on diffuse gradient in thin-films technique is included in the dataset. We have also reported the change in the pH values and dissolved oxygen concentrations in the microcosms during the entire study of 24 days. The dataset also contains the dissolved organic carbon and sulfate concentrations, and the data on fractions of metals bound to reducible and oxidizable phases. For materials from both the wetlands and the stream, anoxic conditions favored Co and Zn release, which corresponded with the reductive dissolution of iron oxides. In contrast, dissolved Cu concentrations increased under oxic conditions for both sites and correlated positively with the release of sulfate. In wetland soils, dissolution of Fe (hydr)oxides increased Ni solubility; however, in stream sediments, Ni release occurred when sulfides or organic matter were oxidized. For stream sediments, each subsequent redox cycle increased the bioavailability of trace metals. Upon redox fluctuations in wetland soils, the bioavailability of Zn and Cu increased, whereas bioavailable Ni and Co decreased. This study illustrates that different trace metals display distinct bioavailability patterns during oxic-anoxic fluctuations in natural environments. The biogeochemical cycling of carbon and nitrogen in systems with redox fluctuations may be influenced by these patterns in trace metal availability in addition to the availability of electron donors and acceptors.

54 ENVIRONMENTAL SCIENCES↗