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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

SPRUCE Diurnal and Seasonal Patterns of Water Potential in S1 Bog and SPRUCE Experimental Plot Vegetation beginning in 2010

This data set reports on water potential from excised terminal shoots or leaves (Mainthemum only) of vegetation at the SPRUCE site located in the S1 bog. Pretreatment measurements were collected from outside plots within the S1 bog. Post treatments were collected from inside SPRUCE plots. Water potential was measured on the overstory canopy species, consisting of the evergreen Picea mariana (Mill.) B.S.P. (black spruce) and deciduous Larix laricina (Du Roi) K. Koch (tamarack) trees, and ericaceous shrubs < 1 m tall, consisting of the evergreen Rhododendron groenlandicum (Oeder) Kron & Judd (Labrador tea) and Chamaedaphne calyculata (L.) Moench. (leatherleaf). Some measurement campaigns also included the evergreen Kalmia polifolia, Wangenh. (bog laurel), the deciduous Vaccinium angustifolium (Aiton) (blueberry), and the herbaceous Maianthemum trifolium (L.) Sloboda (three-leaf false Solomon’s seal). This dataset contains one data file in comma-separated (*.csv) format. This is the second release of water potential data from the site with additional data from 2018 and 2019. These data cover 2010-06-22 to 2019-07-16. Further results will be added to this data set and released to the public periodically as quality assurance and publication of results are accomplished. There are 10 experimental plots in SPRUCE: five temperature treatments (+0, +2.25, +4.5, +6.75, +9°C) at ambient CO2, and the same five temperature treatments at elevated CO2 (+500 ppm). These data span the pre- and post-treatment periods when enclosed plots were exposed to warming and elevated carbon dioxide (CO2) within the SPRUCE experiment. The pretreatment samples were collected from south end of the S1 bog prior to SPRUCE boardwalk construction, then throughout the bog once the boardwalks were completed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

SPRUCE Precipitation Chemistry and Bulk Atmospheric Deposition Beginning in 2013

This data set reports the chemistry of precipitation water that was collected at the SPRUCE site located in the S1 bog and calculated values of bulk atmospheric deposition of solutes in precipitation. Sample collection and analyses started during December of 2013 and will continue for the duration of the experiment. Precipitation samples were collected year round on an event-basis from up to three individual collectors. Samples were either composited or individually analyzed, depending on the total volume of water available relative to the amount needed to complete all laboratory analyses. Funnel/bottle collectors were used to collect rainfall and buckets were used to collect snowfall and mixed precipitation. Samples were analyzed for pH, specific conductivity, nutrient concentrations (ammonium, nitrate, soluble reactive phosphorus, total nitrogen), cation concentrations (calcium, magnesium), anion concentrations (chloride, sulfate), total organic carbon concentrations, and natural-abundance stable isotopes of water (δ18O-H2O and δD-H2O). Bulk deposition was calculated by multiplying rainfall amount by solute concentration for ammonium, nitrate, soluble reactive phosphorus (SRP), total nitrogen, calcium, magnesium, chloride, sulfate, and total organic carbon. All measurements were made at the 8.1-ha S1 bog forest site in northern Minnesota, 40 km north of Grand Rapids, in the USDA Forest Service Marcell Experimental Forest (MEF).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Separation of CO 2 from Flue Gas and Potential for Geologic Sequestration

The objectives of this study were to review various methods reported in the literature for the separation and geologic sequestration of carbon dioxide and evaluate the potential of TVA fossil fuel-burning plant locations for onsite geologic sequestration of CO 2 from stack emissions. Several conventional and nonconventional technologies for the separation of CO 2 from flue gas, including absorption, adsorption, cryogenic distillation, membranes, hydrate formation and dissociation, and ammonia carbonation, have been reviewed in terms of separation mechanisms, flow diagrams, and costs. Most of the technologies that have been reviewed are still at the research and development stage. Critical information needed to assess and compare these technologies is still lacking. In addition, information on some of the technologies that have been tested at a pilot or industrial scale has not been fully disclosed in the open literature. Because of this lack of data, it is difficult to make a critical assessment of each of the separation technologies. Based on limited information, it was concluded that the most promising methods are membrane separation and the Mitsubishi process for chemical absorption. Both processes involve separating CO 2 at high temperature, minimizing the cost for cooling prior to separation. Physical and chemical geologic formations of CO 2 were also reviewed. It was concluded that due to the geologic time scale of CO 2 sequestration periods, relatively safe conditions, general proximity to CO 2 sources, and extensive knowledge of underground conditions, sequestration of CO 2 in underground aquifers and coal beds is a very promising method of mitigating greenhouse gas emissions. The cost is predicted to be relatively low and the suitable sites are numerous for this application, with many of these sites located close to the plants.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Trade-offs of forest management scenarios on forest carbon exchange and threatened and endangered species habitat

Management of forest lands under climate warming poses challenges to managers, some of which are difficult to predict. Examining the trade-offs associated with forest stewardship choices is essential to avoid consequences with loss of natural capital. We utilized LANDIS-II process model simulations for three forested sites located in disparate parts of the United States with the purpose of understanding the trade-offs imposed by management choices under climate warming and associated wildfire. There were only small trade-offs that emerged from the simulations, between habitat area for threatened and endangered species (TES), net ecosystem exchange for CO2 (NEE), and risk of wildfire. Stand management in the form of thinning and prescribed burning typically increased NEE while simultaneously increasing habitat for TES, while reducing the risk of wildfire. These benefits were also observed under a climate warming scenario; however, the benefits were greatly outweighed by the negative impacts f warming on both TES habitat and NEE. Balancing these ecosystem services via thinning and burning treatments is a strategic approach to mitigate risks of wildfire both currently and under a warming future climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Relationship between isotope ratios in precipitation and stream water across watersheds of the National Ecological Observation Network

The timescales associated with precipitation moving through watersheds reveal processes that are critical to understanding many hydrologic systems. Measurements of environmental stable water isotope ratios (δ 2 H and δ 18 O) have been used as tracers to study hydrologic timescales by examining how long it takes for incoming precipitation tracers become stream discharge, yet limited measurements both spatially and temporally have bounded macroscale evaluations so far. Here in this observation driven study across North American biomes within the National Ecological Observation Network (NEON), we examined δ 18 O and δ 2 H stable water isotope in precipitation (δP) and stream water (δQ) at 26 co-located sites. With an average 54 precipitation samples and 139 stream water samples per site collected over 2014–2022, assessment of local meteoric water lines and local stream water lines showed geographic variation across North America. Taking the ratio of estimated seasonal amplitudes of δP and δQ to calculate young water fractions (F yw ), showed a Fyw range from 1% to 93% with most sites having F yw below 20%. Calculate d mean transit times (MTT) based on a gamma convolution model showed a MTT range from 0.10 to 13.2 years, with half of the sites having MTT estimates lower than 2 years. Significant correlations were found between the F yw and watershed area, longest flow length, and the longest flow length/slope. Significant correlations were found between MTT and site latitude, longitude, slope, clay fraction, temperature, precipitation magnitude, and precipitation frequency. The significant correlations between water timescale metrics and the environmental characteristics we report share some similarities with those reported in prior studies, demonstrating that these quantities are primarily driven by site or area specific factors. The analysis of isotope data presented here provides important constraints on isotope variation in North American biomes and the timescales of water movement through NEON study sites.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Anthromes and forest carbon responses to global change

Human effects on ecosystems date back thousands of years, and anthropogenic biomes—anthromes—broadly incorporate the effects of human population density and land use on ecosystems. Forests are integral to the global carbon cycle, containing large biomass carbon stocks, yet their responses to land use and climate change are uncertain but critical to informing climate change mitigation strategies, ecosystem management, and Earth system modeling. Using an anthromes perspective and the site locations from the Global Forest Carbon (ForC) Database, we compare intensively used, cultured, and wildland forest lands in tropical and extratropical regions. We summarize recent past (1900-present) patterns of land use intensification, and we use a feedback analysis of Earth system models from the Coupled Model Intercomparison Project Phase 6 to estimate the sensitivity of forest carbon stocks to CO 2 and temperature change for different anthromes among regions. Modeled global forest carbon stock responses are positive for CO 2 increase but neutral to negative for temperature increase. Across anthromes (intensively used, cultured, and wildland forest areas), modeled forest carbon stock responses of temperate and boreal forests are less variable than those of tropical forests. Tropical wildland forest areas appear especially sensitive to CO 2 and temperature change, with the negative temperature response highlighting the potential vulnerability of the globally significant carbon stock in tropical forests. The net effect of anthropogenic activities—including land-use intensification and environmental change and their interactions with natural forest dynamics—will shape future forest carbon stock changes. These interactive effects will likely be strongest in tropical wildlands.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Elucidating the Role of Hydrogen at c‐In 2 O 3 /a‐In 2 O 3− x Interface

Ab initio molecular dynamics simulations and hybrid functional electronic structure calculations are employed to determine the formation, the structural and electronic properties, and the dynamics of covalent (In—OH) and ionic (In—H—In) hydrogen defects at crystalline-In 2 O 3 /amorphous-In 2 O 3−x interface. This comprehensive computational study considers (i) various interstitial and substitutional hydrogen site locations within the crystalline, amorphous, and interfacial regions; (ii) several oxygen-to-hydrogen ratios; and (iii) possible defect charged states. The results reveal hydrogen's inability to fully passivate the undercoordinated under-shared in atoms in amorphous highly substoichiometric oxide, giving rise to the formation of deep electron traps even in net-charge neutral structures. These trap defects are found to be sensitive to photoexcitation, in contrast to In—OH with H's electronic states located below the valence band and to In—H—In, where H is found to maintain its charge state upon illumination. Nevertheless, H plays a critical role in photoinduced conductivity and its relaxation by promoting In—O coordination transformations at the interfacial region, including deterioration of the crystalline layer. Finally, the results help identify mobile H species and metastable H defect complexes (such as In—H—H—In, In—OH–H—In, and In—OH–O—In) that are responsible for long relaxation times of the conductivity decay.

H defects↗
DOE OSTI2024

Evaluation of a practical approach for field scale moisture flow modeling in heterogeneous media at a semiarid site

Abstract A practical approach for modeling field‐scale moisture flow in a highly heterogeneous unsaturated medium is described in this study. The validity of this approach is demonstrated through comparison of the numerical simulations with field observations at a semiarid site located in southcentral Washington State. The methodology is based on upscaling the core scale hydraulic properties and combining power‐law and tensorial connectivity‐tortuosity (PA‐TCT) approaches to derive macroscopic anisotropy parameters for each hydrostratigraphic unit (HSU) identified in the field. Each heterogeneous HSU is approximated by an equivalent homogeneous medium (EHM) model for which PA‐TCT parameters are used in the flow simulations. The available field data on moisture content and matric potential are compared with steady‐state flow simulations based on the mean form of Richards' equation. While the homogenization or averaging of heterogeneities, embedded in the EHM modeling approximation, cannot capture all of the field‐scale variability, the simulated steady‐state moisture and matric potential profiles capture well the central tendency of the field data. This approach is deemed practical for assessing the fate and transport of contaminants in highly heterogeneous unsaturated media at the transport scale of hundreds of meters.

Khaleel, Raziuddin↗
DOE OSTI2022

Statistical framework to assess long-term spatio-temporal climate changes: East River mountainous watershed case study

Abstract Evaluation of long-term temporal and spatial climatic change in mountainous regions is a critical challenge because of the interactive effects of multiple land and climatic factors and processes. Here we present the application of the statistical framework to the assessment of changes of climatic conditions, using data from 17 meteorological stations across the East River watershed near Crested Butte, Colorado, USA, and spanning the period from 1966 to 2021. The framework is developed based on (1) a time-series analysis of daily, monthly, and yearly averaged meteorological parameters (temperature, relative humidity, precipitation, wind speed, etc.), (2) evaluation and time series analysis of potential evapotranspiration (ET o ), actual evapotranspiration (ET), aridity index (AI), standard precipitation index (SPI) and standard precipitation-evapotranspiration index (SPEI), and (3) a temporal-spatial climatic zonation of the studied area based on the hierarchical clustering and PCA analysis of the SPEI, because the SPEI can be considered an integrative characteristic of the changes of climatic conditions. The Budyko model, with the application of the Penman–Monteith equation for the estimation of ET o , was used to determine the ET. The time series analysis of the AI is used to identify the periods with energy limited and water limited conditions. Hierarchical clustering of site locations for the three temporal segments of the SPEI showed a significant temporal-spatial shifts, indicating that dynamic climatic processes drive zonation patterns. Therefore, the watershed climatic zonation requires periodic re-evaluation based on the structural time series analysis of meteorological and water balance data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors

KRAS has long been referred to as an ‘undruggable’ target due to its high affinity for its cognate ligands (GDP and GTP) and its lack of readily exploited allosteric binding pockets. Recent progress in the development of covalent inhibitors of KRAS G12C has revealed that occupancy of an allosteric binding site located between the α3-helix and switch-II loop of KRAS G12C —sometimes referred to as the ‘switch-II pocket’—holds great potential in the design of direct inhibitors of KRAS G12C . In studying diverse switch-II pocket binders during the development of sotorasib (AMG 510), the first FDA-approved inhibitor of KRAS G12C , we found the dramatic conformational flexibility of the switch-II pocket posing significant challenges toward the structure-based design of inhibitors. Here, we present our computational approaches for dealing with receptor flexibility in the prediction of ligand binding pose and binding affinity. For binding pose prediction, we modified the covalent docking program CovDock to allow for protein conformational mobility. This new docking approach, termed as FlexCovDock, improves success rates from 55 to 89% for binding pose prediction on a dataset of 10 cross-docking cases and has been prospectively validated across diverse ligand chemotypes. For binding affinity prediction, we found standard free energy perturbation (FEP) methods could not adequately handle the significant conformational change of the switch-II loop. We developed a new computational strategy to accelerate conformational transitions through the use of targeted protein mutations. Using this methodology, the mean unsigned error (MUE) of binding affinity prediction were reduced from 1.44 to 0.89 kcal/mol on a set of 14 compounds. These approaches were of significant use in facilitating the structure-based design of KRAS G12C inhibitors and are anticipated to be of further use in the design of covalent (and noncovalent) inhibitors of other conformationally labile protein targets.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Unsupervised Azimuth Estimation of Solar Arrays in Low-Resolution Satellite Imagery through Semantic Segmentation and Hough Transform

This paper explains the use of a convolutional neural network (CNN) to segment solar panels in a satellite image containing solar arrays, and extract associated metadata from the arrays. A novel unsupervised technique is introduced to estimate the azimuth of each individual solar panel from the predicted mask of the convolutional neural network. This pipeline was developed with the aim of extracting necessary metadata for a solar installation, using only a set of latitude–longitude coordinates. Azimuth prediction results for 669 individual solar installations associated with 387 sites located across the United States are provided. A mean average error and median average error of 21.65 degrees and 1.0 degrees were obtained, respectively, when predicting the azimuth of the solar fleet data set, with about 80% of the results within an error of zero degrees of the ground truth azimuth value and about 85% within an error of 25 degrees. The predicted azimuth was then used to estimate the energy conversion of the solar arrays. Results show a 90.9 and 90.6 R-squared value for estimating alternating current (AC) and direct current (DC) energy, respectively, and a mean absolute percentage error (MAPE) of 1.70% in estimating the alternating current (AC) energy using the fully automated algorithm.

14 SOLAR ENERGY↗
DOE OSTI2024

Stabilization and manipulation of highly concentrated copper single atoms by high entropy oxides

Facile and controllable methodologies capable of providing single atom catalysts (SACs) with high-density active metal sites and sintering-resistance under harsh conditions are highly desired and grand challenges in heterogeneous catalysis. Herein, the entropy effect was leveraged to stabilize and manipulate the electronic properties of copper SACs. The as-developed ultrasonication-driven approach could integrate highly concentrated Cu SAs within the lattice of fluorite-structured high entropy oxide (HEFO) under ambient conditions (CuO-HEFO). The dual benefits from the high entropy effect of the support and the in-situ lattice engineering led to the generation of abundant Cu 1+ species and oxygen defects, together with ultra-high stability and sintering-resistance under extremely harsh conditions. This was confirmed by deploying non-high entropy support (CuO-CeO 2 ) or Cu sites located on the surface of HEFO (CuO@HEFO). In conclusion, the catalytic activity of CuO-HEFO surpassed that of CuO-CeO 2 and CuO@HEFO in CO oxidation together with well-maintained long-term stability and resistance to gas impurities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Studying drought-induced forest mortality using high spatiotemporal resolution evapotranspiration data from thermal satellite imaging

Drought can have pervasive and wide-spread impacts to forest health, as evidenced in several severe events occurring over the recent decades. Extensive forest die-off due to drought can impair the ecological functioning of forests, impacting habitat, water yield and quality from forested lands, and altering forest fire dynamics and intensity. Satellite remote sensing provides an effective means for detecting and monitoring spatial patterns of forest mortality over large areas, exploiting free and open long-term image archives available at a range in spatial and temporal resolutions. While remotely sensed surface reflectances and vegetation indices have been widely used to study optical response of forest canopies to drought events, retrievals of evapotranspiration (ET) derived from thermal satellite imagery – particularly at resolutions approaching crown scale - can provide insights into cumulative tree stresses that can incite disease and trigger mortality. In this study, we applied a multi-sensor satellite data fusion approach to estimate daily 30-m resolution ET and an associated Evaporative Stress Index (ESI) to study drought-induced mortality in a temperate forest at the Missouri Ozark AmeriFlux (MOFLUX) site, located in the central United States. The study covered the period from 2010 to 2014, including an exceptional drought year of 2012. Modeled ET agreed well with eddy flux measurements from the MOFLUX tower, with average monthly relative errors of 15%. Plot-scale ESI, describing temporal anomalies in the ratio of actual-to-reference ET, was used as an index of relative forest health to investigate relationships between forest mortality and drought severity. ESI showed good agreement with observed predawn leaf water potential, especially during the drought year. Furthermore, plot-scale ESI was also correlated with the subsequent year's tree mortality, suggesting the importance of considering the forest health condition prior to drought when studying drought-induced forest impacts. This study demonstrates the utility of multi-year ET remote sensing data at the stand or plot scale as an indicator of forest health and as a predictor of future mortality due to drought.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Integrating very-high-resolution UAS data and airborne imaging spectroscopy to map the fractional composition of Arctic plant functional types in Western Alaska

Widespread changes in vegetation cover and composition are driving strong impacts on Arctic ecosystem functioning and global climate feedbacks. An accurate characterization of tundra vegetation composition is required to understand how the Arctic will respond to future climate change. However, quantifying tundra vegetation composition over large areas is challenging as commonly-used satellite observations are too coarse, spatially and spectrally, to differentiate low-lying tundra vegetation types. Recent airborne and spaceborne imaging spectroscopy platforms provide better data to characterize vegetation composition. Yet, our ability to characterize vegetation composition with imaging spectroscopy remains largely unexplored in the Arctic, particularly due to a lack of ground observations needed to train and test classification models. To address this problem, we collected very-high-resolution (VHR, ~5 cm) unoccupied aerial system (UAS) imagery at three low-Arctic tundra sites located on the Seward Peninsula, western Alaska. In this paper, we examine the feasibility of integrating imagery from the UAS and the hyperspectral Airborne Visible/Infrared Imaging Spectrometer, Next Generation (AVIRIS-NG) airborne instrument to map the fractional composition of 12 key Arctic plant functional types (PFTs). To this end, we first mapped the 12 PFTs from our VHR UAS imagery using random forest classification. We then used these UAS-derived PFT maps as ground truth to develop partial least squares regression (PLSR) models to predict the fractional cover (FCover) of each PFT from AVIRIS-NG imagery. Further, we evaluated the performance of our PLSR models using reserved UAS samples, as well as by mapping PFT FCover and dominant PFT for large tundra landscapes. Our results show that 1) Arctic PFTs can be effectively mapped using VHR UAS imagery, with overall accuracy between 86% and 92%, 2) when the UAS mapped PFTs were used to inform PLSR scaling models, the FCover of the 12 PFTs could be effectively estimated from AVIRIS-NG imagery with a mean absolute error (MAE) <0.13, and 3) our PLSR models outperformed traditional, fully constrained least-squares (FCLS) linear mixture analysis and produced high-quality, spatially contiguous PFT FCover and PFT maps that captured vegetation spatial patterns with similar accuracy to those developed from UAS imagery. The developed PLSR models have the potential to be broadly applied for quantifying vegetation composition with AVIRIS-NG images to help monitor tundra vegetation dynamics and improve process-based modeling of tundra ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)

Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, and understanding the biogeochemical factors controlling these exchanges, particularly iron (Fe) redox transformations, is crucial for predicting coastal ecosystem functions. Here, we investigated the mechanisms controlling Fe speciation changes across upland-to-shoreline gradients in freshwater and estuarine soils using Fe K-edge X-ray absorption spectroscopy, solid and porewater composition analysis, and 16S rRNA sequencing analysis. We show that Fe transformations depend primarily on inundation patterns. In unsaturated uplands, Fe occurs as Fe(III) oxyhydroxides, mainly goethite (9–35 %), Fe(II,III)-phyllosilicates (39–89 %), and Fe(III)-organic species (0–61 %). Soils influenced by estuarine waters exhibit porewater sulfide concentrations reaching up to 221 μM, Fe- and S-cycling bacteria, and up to 81 % pyrite (FeS 2 ), indicating that sulfur-driven redox dynamics control Fe transformations. In lacustrine wetlands, Fe(III) reduction is indicated by porewater Fe(II) concentrations increasing to 1.0–2.1 mM, and ~10–15 % of Fe as Fe(II,III)-(hydr)oxides (green rust), vivianite (Fe 3 (PO 4 ) 2 ·8H 2 O), and/or adsorbed Fe(II) species. EXAFS data also indicate reduction of structural Fe(III) to Fe(II) in phyllosilicates. The presence of Fe- and S-cycling bacteria, as well as sulfide (0–10 μM), suggests that Fe-cycling is microbially driven and potentially coupled with cryptic S-cycling. Fe(II) oxidation was indicated above/near the water table by the presence of Fe(III) oxyhydroxides (ferrihydrite, lepidocrocite). Furthermore, negligible Fe(III) or sulfate reduction was observed at some water-saturated sites located at the upland-wetland transition, likely due to oxic (sub-)surface water inputs. Overall, our results highlight the importance of considering both Fe-speciation and hydro-biogeochemical dynamics when predicting Fe-cycling at coastal interfaces.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Atmospheric Brown Carbon on the Tibetan Plateau: Regional Differences in Chemical Composition and Light Absorption Properties

In this work, fine particulate matter (PM 2.5 ) filter samples were collected from two high-altitude remote sites located in the southern (QOMS) and northern (WLG) regions of the Tibetan Plateau (TP) to explore the regional differences in brown carbon (BrC) properties. Chemical differences in BrC composition representative of these two areas were inferred from molecular-level analysis of the PM 2.5 samples using high-performance liquid chromatography coupled with photodiode array and high-resolution mass spectrometry detectors. The results show that more polar BrC chromophores were abundant in QOMS samples, while contributions from polar and less polar chromophores were comparable in WLG samples. A higher mass absorption coefficient of BrC was observed at QOMS than at WLG. Strong BrC chromophores in QOMS samples were identified as oxygenated aromatics and nitrophenol compounds, while organosulfate compounds were found in the WLG sample. The results of this study indicate regional differences in BrC chromophores and provide insights into their sources and chemical processes, which should be considered for predictive understanding and modeling of the radiative forcing of aerosol in the TP area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Microsolvation in V + (H 2 O) n Clusters Studied with Selected-Ion Infrared Spectroscopy

Gas phase ion-molecule clusters of the form V + (H 2 O) n (n = 1-30) are produced by laser vaporization in a supersonic expansion. These ions are analyzed and mass-selected with a time-of-flight mass spectrometer and investigated with infrared laser photodissociation spectroscopy. The small clusters (n ≤ 7) are studied with argon tagging, while the larger clusters are studied via the elimination of water molecules. The vibrational spectra for the small clusters include only free O-H stretching vibrations, while larger clusters exhibit red-shifted hydrogen bonding vibrations. The spectral patterns reveal that the coordination around V + ions is completed with four water molecules. A symmetric square-planar structure forms for the n = 4 ion, and this becomes the core ion in larger structures. Clusters up to n = 8 have mostly two-dimensional structures, but hydrogen bonding networks evolve to three-dimensional structures in larger clusters. The free O-H vibration of AAD (acceptor-acceptor-donor) coordinated surface molecules converges to a frequency near that of bulk water by the cluster size of n = 30. However, the splitting of this vibration for AAD- versus AD-coordinated molecules is still different compared to other singly-charged or doubly-charged cation-water clusters. Finally, this indicates that cation identity and charge-site location in the cluster can produce discernible spectral differences for clusters in this size range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Lagged Wetland CH 4 Flux Response in a Historically Wet Year

While a stimulating effect of plant primary productivity on soil carbon dioxide (CO 2 ) emissions has been well documented, links between gross primary productivity (GPP) and wetland methane (CH 4 ) emissions are less well investigated. Determination of the influence of primary productivity on wetland CH 4 emissions (FCH 4 ) is complicated by confounding influences of water table level and temperature on CH 4 production, which also vary seasonally. Here, in this work, we evaluate the link between preceding GPP and subsequent FCH 4 at two fens in Wisconsin using eddy covariance flux towers, Lost Creek (US-Los) and Allequash Creek (US-ALQ). Both wetlands are mosaics of forested and shrub wetlands, with US-Los being larger in scale and having a more open canopy. Co-located sites with multi-year observations of flux, hydrology, and meteorology provide an opportunity to measure and compare lag effects on FCH4 without interference due to differing climate. Daily average FCH4 from US-Los reached a maximum of 47.7 ηmol CH 4 m -2 s -1 during the study period, while US-ALQ was more than double at 117.9 ηmol CH 4 m -2 s -1 . The lagged influence of GPP on temperature-normalized FCH4 (T air -FCH 4 ) was weaker and more delayed in a year with anomalously high precipitation than a following drier year at both sites. FCH 4 at US-ALQ was lower coincident with higher stream discharge in the wet year (2019), potentially due to soil gas flushing during high precipitation events and lower water temperatures. Better understanding of the lagged influence of GPP on FCH 4 due to this study has implications for climate modeling and more accurate carbon budgeting.

59 BASIC BIOLOGICAL SCIENCES↗