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At least 397 records · Page 22

WHONDRS-GUI: a web application for global survey of surface water metabolites

Background The Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) is a consortium that aims to understand complex hydrologic, biogeochemical, and microbial connections within river corridors experiencing perturbations such as dam operations, floods, and droughts. For one ongoing WHONDRS sampling campaign, surface water metabolite and microbiome samples are collected through a global survey to generate knowledge across diverse river corridors. Metabolomics analysis and a suite of geochemical analyses have been performed for collected samples through the Environmental Molecular Sciences Laboratory (EMSL). The obtained knowledge and data package inform mechanistic and data-driven models to enhance predictions of outcomes of hydrologic perturbations and watershed function, one of the most critical components in model-data integration. To support efforts of the multi-domain integration and make the ever-growing data package more accessible for researchers across the world, a Shiny/R Graphical User Interface (GUI) called WHONDRS-GUI was created. Results The web application can be run on any modern web browser without any programming or operational system requirements, thus providing an open, well-structured, discoverable dataset for WHONDRS. Together with a context-aware dynamic user interface, the WHONDRS-GUI has functionality for searching, compiling, integrating, visualizing and exporting different data types that can easily be used by the community. The web application and data package are available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1484811 , which enables users to simultaneously obtain access to the data and code and to subsequently run the web app locally. The WHONDRS-GUI is also available for online use at Shiny Server ( https://xmlin.shinyapps.io/whondrs/ ).

59 BASIC BIOLOGICAL SCIENCES↗

Chondritic Meteorites: Nebular and Parent-Body Formation Process

Chondritic meteorites are the products of condensation, agglomeration and accretion of material in the solar nebula; these objects are the best sources of information regarding processes occurring during the early history of the solar system. We obtain large amounts of high-quality chemical and petrographic data and use them to infer chemical fractionation processes that occurred in the solar nebula and on meteorite parent bodies during thermal metamorphism, shock metamorphism and aqueous alteration. We compare diverse groups of chondrites and model their different properties in terms of processes that differed at different nebular locations or on different parent-bodies. In order to expand our set of geochemically important elements (particularly Si, C, P and S) and to distinguish the different oxidation states of Fe, Greg Kallemeyn spent three months (1 Sept. - 30 Nov. 1995) at the Smithsonian Institution to learn Eugene Jarosewich's wet chemical techniques. Key specimens from the recently established CK, CR and R chondrite groups were analyzed.

Rubin, Alan E.↗

Epithermal Neutron Observations and Lunar South Pole Targeting for LCROSS Impact Planning using the Lunar Reconnaissance Orbiter (LRO), Lunar Exploring Neutron Detector (LEND)

LCROSS impact targeting and planning efforts included quantifying South Polar epithermal neutron flux depressions in early LEND mapped results to maximize the expected plume Hydrogen (H) yield. Epithermal neutron surface fluxes are a key geochemical indicator of surface Hydrogen (H) concentration inferred to be elevated in polar permanent shadow regions (PSR). LCROSS impact target regions were delineated as (PSR) using illumination modeling of polar topography. To quantify targets potential yield for LCROSS, LEND epithermal neutron flux observations were integrated over LCROSS targets of interest and compared to background observations. Discussion will define methods review impact prior estimates and contrast post impact results.

McClanahan, T. P.↗

Geochemistry of granitoid rocks from the western Superior Province: Evidence for 2- and 3-stage crustal evolution models

The Superior Province is divisible into subprovinces that can be classified as greenstone-tonalite, paragneiss, or batholitic terranes and are distinguished by differences in lithologic proportions, metamorphic grade, and structural style. The origin and significance of contrasting geochemical characteristics of plutonic rocks from the Winnipeg River subprovince (a batholithic terrane) and the Wabigoon subprovince (a greenstone-tonalite terrane) are discussed.

Beakhouse, G. P.↗

Single rhenium atoms on nanomagnetite: Probing the recharge process that controls the fate of rhenium in the environment

Understanding the redox transitions that control rhenium geochemistry is central to paleoredox and geochronology studies, as well as predicting the fate of chemically similar hazardous oxyanions in the environment such as pertechnetate. However, detailed mechanistic information regarding rhenium redox transitions in anoxic systems is scarce. Here, we performed a comprehensive laboratory study of rhenium redox transitions on variably oxidized magnetite nanoparticle surfaces. Through high-end spectroscopic and microscopic tools, we propose an abiotic transition pathway in which aqueous iron(II) ions in the presence of pure or preoxidized magnetite serve as an electron source to reduce rhenium(VII) to individual rhenium(IV) atoms or small polynuclear species on nanoparticle surfaces. Notably, iron(II) ions recharged preoxidized magnetite nanoparticles exhibit a maghemite core and a magnetite shell, challenging the traditional core-shell magnetite-maghemite model. This study provides a fundamental understanding of redox processes governing rhenium fate and transport in the environment and enables an improved basis for predicting its speciation in geochemical systems.

Science & Technology - Other Topics↗

In-field bioreactors demonstrate dynamic shifts in microbial communities in response to geochemical perturbations

Subsurface microbial communities mediate the transformation and fate of redox sensitive materials including organic matter, metals and radionuclides. Few studies have explored how changing geochemical conditions influence the composition of groundwater microbial communities over time. We temporally monitored alterations in abiotic forces on microbial community structure using 1L in-field bioreactors receiving background and contaminated groundwater at the Oak Ridge Reservation, TN. Planktonic and biofilm microbial communities were initialized with background water for 4 days to establish communities in triplicate control reactors and triplicate test reactors and then fed filtered water for 14 days. On day 18, three reactors were switched to receive filtered groundwater from a contaminated well, enriched in total dissolved solids relative to the background site, particularly chloride, nitrate, uranium, and sulfate. Biological and geochemical data were collected throughout the experiment, including planktonic and biofilm DNA for 16S rRNA amplicon sequencing, cell counts, total protein, anions, cations, trace metals, organic acids, bicarbonate, pH, Eh, DO, and conductivity. We observed significant shifts in both planktonic and biofilm microbial communities receiving contaminated water. This included a loss of rare taxa, especially amongst members of the Bacteroidetes, Acidobacteria, Chloroflexi, and Betaproteobacteria, but enrichment in the Fe- and nitrate- reducing Ferribacterium and parasitic Bdellovibrio. These shifted communities were more similar to the contaminated well community, suggesting that geochemical forces substantially influence microbial community diversity and structure. These influences can only be captured through such comprehensive temporal studies, which also enable more robust and accurate predictive models to be developed.

59 BASIC BIOLOGICAL SCIENCES↗

Potential Formation Damage: An Integrated Reservoir Characterization Study of the Naturally Fractured Carbonate Middle Duperow Formation at the Kevin Dome, Montana

In this study, we integrate geologic and engineering data of a naturally fractured carbonate reservoir at the Kevin Dome, Montana. Well test data are correlated with core description, geochemical and lithology study to determine the flow behavior and communication within the injection test interval and to the surrounding area. Based on a dual-continuum geologic model, numerical brine injection simulations are carried out to validate the interpretation results from our well test analytical models and forecast the probability of CO 2 injection success using current reservoir properties. As a result, our well test analytical models as well as lithology/core description suggest that fluid flow may be mainly restricted to the injection interval and the assumption of radial (horizontal) flow may be appropriate. The well test models also indicate that there is potentially formation damage with a positive skin factor although prior to brine injection well tests, well stimulation through acid treatment was performed. Our numerical simulation results appear to confirm this formation damage by showing additional pressure buildup in the injection data during later test periods. To explain this, acid may have dissolved dolomite then dolomite or calcite may have been formed again further into the matrix/fracture system. Another possible explanation is mechanical clogging of the fractures due to acid dissolving dolomite and dislodging fine grains. Our work also predicts that if no additional well stimulation is performed, the project will have a lower probability of successfully injecting 1 million tons of CO 2 into the Middle Duperow formation over 4 years.

42 ENGINEERING↗

Recrystallized Impact Glasses of the Onaping Formation and the Sudbury Igneous Complex, Sudbury Structure, Ontario, Canada

The origin of the Sudbury Structure and of the associated heterolithic breccias of the Onaping Formation and the Sudbury Igneous Complex have been controversial. While an impact origin of the structure has gained wide acceptance over the last 15 years, the origin of the recrystallized Onaping Formation glasses and of the igneous complex is still being debated. Recently the interpretation of the breccias of the Onaping Formation as suevitic fall-back impact breccias has been challenged. The igneous complex is interpreted either as a differentiated impact melt sheet or as a combination of an upper impact melt represented by the granophyre, and a lower, impact-triggered magmatic body consisting of the norite-sublayer formations. The Onaping Formation contains glasses as fluidal and nonfluidal fragments of various shapes and sizes. They are recrystallized, and our research indicates that they are petrographically heterogeneous and span a wide range of chemical compositions. These characteristics are not known from glasses of volcanic deposits. This suggests an origin by shock vitrification, an interpretation consistent with their association with numerous and varied country rock clasts that exhibit microscopic shock metamorphic features. The recrystallized glass fragments represent individual solid-state and liquid-state vitrified rocks or relatively small melt pods. The basal member lies beneath the Gray and Black members of the Onaping Formation and, where not metamorphic, has an igneous matrix. Igneous-textured melt bodies occur in the upper two members and above the Basal Member. A comparison of the chemical compositions of recrystallized glasses and of the matrices of the Basal Member and the melt bodies with the components and the bulk composition of the igneous complex is inconclusive as to the origin of the igneous complex. Basal Member matrix and Melt Bodies, on average, are chemically similar to the granophyre of the Sudbury Igneous Complex, suggesting that they are genetically related. Our chemical results allow interpretation of the entire igneous complex as a differentiated impact melt. However, they are also consistent with the granophyre alone being the impact melt and the nofite and quartz gabbro beneath it representing an impact-triggered magmatic body. This interpretation is preferred, as it is consistent with a number of field observations. A re-evaluation and extension of structural field studies and of geochemical data, as well as a systematic study of the contact relationships of the various igneous phases of the igneous complex, are needed to establish a Sudbury impact model consistent with all data and observations

Dressler, B. O.↗

Recalculation of Soil Bulk Density Used in the Scorpius MCNP6 Model

The soil composition used in the Scorpius MCNP6.2 (Ref. 1) model was recently recalculated. Originally, it was “determined using the United States Geological Survey (USGS) Mercury Core Library and the Nevada National Security Site U.S. Geological Survey Databases (NNSS USGS) and Nevada National Security Site Petrographic, Geochemical, and Geophysical Database (NNSS PGG),” but the details had been lost. Reference 2 documents the updated soil composition determination. Reference 2 estimated the grain density of the soil instead of the bulk density. This report corrects that error. I am indebted to Garrett Euler (EES-17) for reading Ref. 2, pointing out its errors, and guiding me through the correct calculations. This report is organized as follows. For completeness, the composition calculations from Ref. 2 are repeated: Sec. II discusses the data that are reported in the PGG Access database, and Sec. III uses the data in the PGG Access database to compute the composition of the soil. Section IV estimates the bulk density of the soil. Section V evaluates the soil wall thickness in the Scorpius model. Section VI estimates the effect of the soil density change on previously calculated results. Section VII presents a summary and conclusions. Input files and output files are listed in appendices.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

A Model for Siderophile Element Distribution in Planetary Differentiation

Planetary differentiation begins with partial melting of small planetesimals. At low degrees of partial melting, a sulfur-rich liquid segregates by physical mechanisms including deformation-assisted porous flow. Experimental studies of the physical mechanisms by which Fe-S melts segregate from the silicate matrix of a molten H chondrite are part of a companion paper. Geochemical studies of these experimental products revealed that metallic liquids were in equilibrium with residual metal in the H chondrite matrix. This contribution explores the geochemical signatures produced by early stages of core formation. Particularly, low-degree partial melt segregation of Fe-S liquids leaves residual metal in the silicate matrix. Some achondrites appear to be residues of partial melting, e.g., ureilites, which are known to contain metal. The metal in these achondrites may show a distinct elemental signature. To quantify the effect of sulfur on siderophile element contents of residual metal we have developed a model based on recent parametrizations of equilibrium solid metal-liquid metal partitioning experiments.

Humayun, M.↗

Highland crust at the Apollo 14 site: A review

Recent petrologic studies of pristine nonmare samples from the Apollo 14 site have demonstrated the unique character of the western highlands crust. Many of the lithologies which occur here are not found at other highland sites or represent unique variations of more common lithologies. Rare highland samples found at the Apollo 12 site have petrologic and geochemical affinities with the Apollo 14 highland suite and the two sites taken together constitute what can be called the Western Highland Province. Rocks of the Western Highland Province are geochemically distinct from similar lithologies found at eastern highland sites (Apollo 15, Apollo 16, Apollo 17, and the Luna sites) -- a fact which adds further complications to current petrogenetic models for the lunar crust. Nonetheless, an understanding of how the Western Highlands Province formed and why it differs from highland crust in the east is crucial to our overall understanding of primordial lunar differentiation and petrogenesis.

Shervais, John W.↗

The western highland province at the Apollo 14 site

Recent petrologic studies of pristine nonmare samples from the Apollo 14 site have demonstrated the unique character of the western highlands crust. Many of the lithologies which occur here are not found at other highland sites or represent unique variations of more common lithologies. Rare highland samples found at the Apollo 12 site have petrologic and geochemical affinities with the Apollo 14 highland suite, and the two sites taken together constitute what can be called the Western Highland Province. Rocks of the Western Highland Province are geochemically distinct from similar lithologies found at eastern highland sites (Apollo 15, Apollo 16, Apollo 17, and the Luna sites)--a fact which adds further complications to current petrogenetic models for the lunar crust. Nonetheless, and understanding of how the Western Highlands Province formed and why it differs from highland crust in the east is crucial to our overall understanding of primordial lunar differentiation and petrogenesis.

Shervais, John W.↗

Interpretable Machine Learning Models for Autonomous Characterization of Analogue Ocean World Seawater Chemistry and Biosignature Potential Using Isotope Ratio Data

Background: Future missions to ocean worlds, such as Enceladus and Europa, will attempt to characterize the subsurface seawater chemistry and assess the potential for life. Such missions will be equipped with capabilities to precisely measure volatile isotopes in plumes, atmospheres, and exospheres. Motivation: While large isotopic fractionations can indicate a biological source, there are signatures resulting from abiotic geochemical processes that mimic isotopic biosignatures. While machine learning (ML) has the potential to disentangle competing effects and biotic mimicry, high-dimensional isotope ratio mass spectrometry (IRMS) data is likely to contain noise/irrelevant features and involve complex statistical interactions that make human inference and interpretation difficult. Further, ML predictions with as far-reaching implications as an extraterrestrial biosignature on an ocean world requires the use of interpretable models (i.e., not “black box” models) with physically and mathematically meaningful feature spaces along with false positive diagnostics. Methods: We use volatile CO2 IRMS data of analogue ocean world seawaters to validate an ML approach to provide biogeochemical context for biosignature detection. We employ a feature selection method called nearest-neighbor projected distance regression (NPDR) that detects statistical interactions and helps elucidate the mechanisms of the Random Forest classification models. Results: We train and validate predictive ML models on volatile CO2 IRMS data of analogue ocean world seawaters to predict major salt components (e.g., MgSO4, NaHCO3), pH, ionic strength, and the presence of biosignatures. Features derived from IRMS measurements are augmented with extracted time-series features. Our results show high test accuracy and interpretability, which is increased by interaction network visualization, sample-wise variable importance scores, and single-sample class probability estimates. We demonstrate an ML mission software solution that triggers autonomous data transmission and biogeochemical sample prediction.

geochemistry↗

Temporal, Spatial, and Temperature Controls on Organic Carbon Mineralization and Methanogenesis in Arctic High-Centered Polygon Soils

Warming temperatures in continuous permafrost zones of the Arctic will alter both hydrological and geochemical soil conditions, which are strongly linked with heterotrophic microbial carbon (C) cycling. Heterogeneous permafrost landscapes are often dominated by polygonal features formed by expanding ice wedges: water accumulates in low centered polygons (LCPs), and water drains outward to surrounding troughs in high centered polygons (HCPs). These geospatial differences in hydrology cause gradients in biogeochemistry, soil C storage potential, and thermal properties. Presently, data quantifying carbon dioxide (CO 2 ) and methane (CH 4 ) release from HCP soils are needed to support modeling and evaluation of warming-induced CO 2 and CH 4 fluxes from tundra soils. This study quantifies the distribution of microbial CO 2 and CH 4 release in HCPs over a range of temperatures and draws comparisons to previous LCP studies. Arctic tundra soils were initially characterized for geochemical and hydraulic properties. Laboratory incubations at −2, +4, and +8°C were used to quantify temporal trends in CO 2 and CH 4 production from homogenized active layer organic and mineral soils in HCP centers and troughs, and methanogen abundance was estimated from mcrA gene measurements. Results showed that soil water availability, organic C, and redox conditions influence temporal dynamics and magnitude of gas production from HCP active layer soils during warming. At early incubation times (2–9 days), higher CO 2 emissions were observed from HCP trough soils than from HCP center soils, but increased CO 2 production occurred in center soils at later times (>20 days). HCP center soils did not support methanogenesis, but CH 4 -producing trough soils did indicate methanogen presence. Consistent with previous LCP studies, HCP organic soils showed increased CO 2 and CH 4 production with elevated water content, but HCP trough mineral soils produced more CH 4 than LCP mineral soils. HCP mineral soils also released substantial CO 2 but did not show a strong trend in CO 2 and CH 4 release with water content. Knowledge of temporal and spatial variability in microbial C mineralization rates of Arctic soils in response to warming are key to constraining uncertainties in predictive climate models.

59 BASIC BIOLOGICAL SCIENCES↗

Modeling commercial-scale CO 2 storage in the gas hydrate stability zone with PFLOTRAN v6.0

Abstract. Safe and secure carbon dioxide (CO2) storage is likely to be critical for mitigating some of the most dangerous effects of climate change. In the last decade, there has been a significant increase in activity associated with reservoir characterization and site selection for large-scale CO2 storage projects across the globe. These prospective storage sites tend to be selected for their optimal structural, petrophysical, and geochemical trapping potential. However, it has also been suggested that storing CO2 in reservoirs within the CO2 hydrate stability zone (GHSZ), characterized by high pressures and low temperatures (e.g., Arctic or marine environments), could provide a natural thermodynamic barrier to gas leakage. Evaluating the prospect of commercial-scale, long-term storage of CO2 in the GHSZ requires reservoir-scale modeling capabilities designed to account for the unique physics and thermodynamics associated with these systems. We have developed the HYDRATE flow mode and the accompanying fully implicit parallel well model in the massively parallel subsurface flow and reactive transport simulator PFLOTRAN to model CO2 injection into the marine GHSZ. We have applied these capabilities to a set of CO2 injection scenarios designed to reveal the challenges and opportunities for commercial-scale CO2 storage in the GHSZ.

carbon storage↗

Volcanology, Geochemistry, and Petrology Perspectives on Integrated, Coordinated, Open, Networked (ICON) Science

This article is composed of a commentary about the state of Integrated, Coordinated, Open, and Networked (ICON) principles in Volcanology, Geochemistry, and Petrology (VGP), and discussion on the opportunities and challenges of adopting them. VGP encompasses a broad field that addresses volcanic, magmatic, hydrothermal, geomicrobial systems; process investigations that span the physical, geochemical and biological realms, including planetary geology; and one that is extensively supported by state-of-the-art research facilities. We suggest that an open, inclusive, collaborative and evolving model of an international coordinated network is critical to answering the most pressing challenges in VGP. In this commentary piece, we begin to discuss the elements of, challenges to, and path forward in developing such a model. For this team, ICON means collaboration, equitable access to data for the entire scientific community, and forging of partnerships that potentially contribute to more innovative ways of coordinating and sharing research. It also means bringing more equity to science, by implementing effective measures which consider access to funding, analytical equipment, resources, and mentors. More importantly, ICON to us means having important conversations around what we value in the advancement of science, perhaps exploring outside the idea of meritocracy and evaluating what individual traits can contribute to science outside what has traditionally been considered the norm.

58 GEOSCIENCES↗

Carbon Mineralization in Fractured Mafic and Ultramafic Rocks: A Review

Mineral carbon storage in mafic and ultramafic rock masses has the potential to be an effective and permanent mechanism to reduce anthropogenic CO 2 . Several successful pilot-scale projects have been carried out in basaltic rock (e.g., CarbFix, Wallula), demonstrating the potential for rapid CO 2 sequestration. However, these tests have been limited to the injection of small quantities of CO 2 . Thus, the longevity and feasibility of long-term, large-scale mineralization operations to store the levels of CO 2 needed to address the present climate crisis is unknown. Moreover, CO 2 mineralization in ultramafic rocks, which tend to be more reactive but less permeable, has not yet been quantified. In these systems, fractures are expected to play a crucial role in the flow and reaction of CO 2 within the rock mass and will influence the CO 2 storage potential of the system. Therefore, consideration of fractures is imperative to the prediction of CO 2 mineralization at a specific storage site. In this review, we highlight key takeaways, successes, and shortcomings of CO 2 mineralization pilot tests that have been completed and are currently underway. Laboratory experiments, directed toward understanding the complex geochemical and geomechanical reactions that occur during CO 2 mineralization in fractures, are also discussed. Experimental studies and their applicability to field sites are limited in time and scale. Many modeling techniques can be applied to bridge these limitations. We highlight current modeling advances and their potential applications for predicting CO 2 mineralization in mafic and ultramafic rocks.

25 ENERGY STORAGE↗

The temperature gradient in the solar nebula

The available compositional data on planets and satellites can be used to place stringent limits on the thermal environment in the solar nebula. The densities of the terrestrial planets, Ceres and Vesta, the Galilean satellites, and Titan; the atmospheric compositions of several of these bodies; and geochemical and geophysical data on the earth combine to define a strong dependence of formation temperature on heliocentric distance. It is impossible to reconcile the available compositional data with any model in which the formation temperatures of these bodies are determined by radiative equilibrium with the sun, regardless of the sun's luminosity. Rather, the data support Cameron's hypothesis of a dense, convective solar nebula, opaque to solar radiation, with an adiabatic temperature-pressure profile.

Lewis, J. S.↗