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NASA NTRS2022

Abundant phosphorus expected for possible life in Enceladus’s ocean

Saturn’s moon Enceladus has a potentially habitable subsurface water ocean that contains canonical building blocks of life (organic and inorganic carbon, ammonia, possibly hydro-gen sulfide) and chemical energy (disequilibria for methanogenesis). However, its habit-ability could be strongly affected by the unknown availability of phosphorus (P). Here, we perform thermodynamic and kinetic modeling that simulates P geochemistry based on recent insights into the geochemistry of the ocean–seafloor system on Enceladus. We find that aqueous P should predominantly exist as orthophosphate (e.g., HPO422), and total dissolved inorganic P could reach 1027to 1022mol/kg H2O, generally increasing with lower pH and higher dissolved CO2, but also depending upon dissolved ammonia and silica. Levels are much higher than<10210mol/kg H2Ofrompreviousestimatesand close to or higher than∼1026mol/kg H2O in modern Earth seawater. The high P concentration is primarily ascribed to a high (bi)carbonate concentration, which decreases the concentrations of multivalent cations via carbonate mineral formation, allowing phosphate to accumulate. Kinetic modeling of phosphate mineral dissolution suggests that geologically rapid release of P from seafloor weathering of a chondritic rocky core could supply millimoles of total dissolved P per kilogram of H2Owithin105y, much less than the likely age of Enceladus’s ocean (108to 109y). These results provide further evidence of habitable ocean conditions and show that any oceanic life would not be inhibited by low P availability.

Enceladus ocean↗

NASA NTRS2016

Diagenesis Along Fractures in an Eolian Sandstone, Gale Crater, Mars

The Mars Science Laboratory rover Curiosity has been exploring sedimentary deposits in Gale crater since August 2012. The rover has traversed up section through approx.100 m of sedimentary rocks deposited in fluvial, deltaic, lacustrine, and eolian environments (Bradbury group and overlying Mount Sharp group). The Stimson formation lies unconformable over a lacustrine mudstone at the base of the Mount Sharp group and has been interpreted to be a cross-bedded sandstone of lithified eolian dunes. Mineralogy of the unaltered Stimson sandstone consists of plagioclase feldspar, pyroxenes, and magnetite with minor abundances of hematite, and Ca-sulfates (anhydrite, bassanite). Unaltered sandstone has a composition similar to the average Mars crustal composition. Alteration "halos" occur adjacent to fractures in the Stimson. Fluids passing through these fractures have altered the chemistry and mineralogy of the sandstone. Silicon and S enrichments and depletions in Al, Fe, Mg, Na, K, Ni and Mn suggest aqueous alteration in an open hydrologic system. Mineralogy of the altered Stimson is dominated by Ca-sulfates, Si-rich X-ray amorphous materials along with plagioclase feldspar, magnetite, and pyroxenes, but less abundant in the altered compared to the unaltered Stimson sandstone and lower pyroxene/plagioclase feldspar. The mineralogy and geochemistry of the altered sandstone suggest a complicated history with several (many?) episodes of aqueous alteration under a variety of environmental conditions (e.g., acidic, alkaline).

Ming, D. W.↗

DOE OSTI2024

Manganese exposure from spring and well waters in the Shenandoah Valley: interplay of aquifer lithology, soil composition, and redox conditions

Manganese (Mn) is of particular concern in groundwater, as low-level chronic exposure to aqueous Mn concentrations in drinking water can result in a variety of health and neurodevelopmental effects. Much of the global population relies on drinking water sourced from karst aquifers. Thus, we seek to assess the relative risk of Mn contamination in karst by investigating the Shenandoah Valley, VA region, as it is underlain by both karst and non-karst aquifers and much of the population relies on water wells and spring water. Water and soil samples were collected throughout the Shenandoah Valley, to supplement pre-existing well water and spring data from the National Water Information System and the Virginia Household Water Quality Program, totaling 1815 wells and 119 springs. Soils were analyzed using X-ray fluorescence and Mn K-Edge X-ray absorption near-edge structure spectroscopy. Factors such as soil type, soil geochemistry, and aquifer lithology were linked with each location to determine if correlations exist with aqueous Mn concentrations. Analyzing the distribution of Mn in drinking water sources suggests that water wells and springs within karst aquifers are preferable with respect to chronic Mn exposure, with < 4.9% of wells and springs in dolostone and limestone aquifers exceeding 100 ppb Mn, while sandstone and shale aquifers have a heightened risk, with > 20% of wells exceeding 100 ppb Mn. The geochemistry of associated soils and spatial relationships to various hydrologic and geologic features indicates that water interactions with aquifer lithology and soils contribute to aqueous Mn concentrations. Relationships between aqueous Mn in spring waters and Mn in soils indicate that increasing aqueous Mn is correlated with decreasing soil Mn(IV). These results point to redox conditions exerting a dominant control on Mn in this region.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Understanding Adsorption and Reactions at Aqueous Oxide Interfaces with Neural Network Potential Molecular Dynamics

Chemical processes at metal oxide−water interfaces are of central importance in geochemistry, biology, and energy technologies. A better understanding of these processes would allow us to make a significant step toward optimizing and controlling them, which could in turn lead to broader impacts. Computational modeling is indispensable to accomplishing this task because complexity and disorder often make it difficult to extract atomistic information from experiments. Balancing computational cost and accuracy, simulation schemes based on efficient machine learning representations of the potential energy surface (PES) predicted by ab initio calculations have become increasingly popular over the past decade. In particular, several studies have demonstrated the ability of machine learning models to accurately reproduce the complex ab initio PESs of aqueous oxide interfaces, allowing simulations of systems and processes that are not accessible with ab initio methods. In this Account, we review our recent efforts to understand adsorption processes and reactions at aqueous oxide interfaces using deep potential molecular dynamics (DPMD), a simulation scheme employing deep neural networks (DNNs), which has proven to be quite successful in accurately describing many different systems in the condensed phase. After summarizing the DPMD methodology, we first review our work on the acid−base chemistry of oxide surfaces in contact with water, a fundamental characteristic that controls proton transfer and surface charge at the interface. We focus on the aqueous interface of rutile IrO 2 , an oxide material thus far considered the best catalyst for the oxygen evolution reaction (OER). We show that this interface is characterized by a large fraction of dissociated water and a strong Brønsted acidity of the surface sites, in good agreement with the experimentally measured value of the point of zero proton charge. In our second example, we investigate how the adsorption of organic species from ambient air or water affects the structure and wettability of the aqueous interfaces of TiO 2 , a prototypical photocatalytic material. This is a question that is relevant to understanding the UV-induced hydrophilicity of TiO 2 surfaces, a property at the basis of self-cleaning windows and related applications. Specifically focusing on formic and acetic acids, the two most common atmospheric organic acids, our simulations reveal that these acids control the wettability of TiO 2 largely through acid−base chemistry at the interface rather than chemisorption on the oxide surface, a finding that could help improve the design of self-cleaning surfaces and photocatalytic devices. Finally, we review our recent study of methanol at TiO 2 −water interfaces, a system whose interest is largely motivated by the role of methanol in enhancing photocatalytic hydrogen evolution on TiO 2 . Our simulations provide mechanistic insights into the coupled roles of the organic adsorbate and water at the TiO 2 interface, with implications for how methanol enhances the activity of H 2 evolution.

adsorption↗

NASA NTRS2019

Unraveling the Aqueous Alteration History and Searching for Extinct Life in Gale Crater, Mars: Mineralogical and Geochemical Results from the Mars Science Laboratory, Curiosity Rover's Instrument Payload

The goal of the Mars Science Laboratory (MSL), Curiosity Rover mission is to determine if Gale Crater, Mars ever had a habitable environment and to search for evidence of extinct microbial life. Gale Crater is ~155 km wide with a layered central mound (~5 km high). The Curiosity rover has traversed ~20 km from the crater floor up 350 m to the lower slopes of the central mound for over 2200 Martian solar days (sols). Curiosity's instruments have evaluated the geochemistry and mineralogy of regolith fines, eolian sediments, and sedimentary rocks to assess Gale Crater's aqueous alteration history. Results indicate that Gale Crater surface material have experienced a complex authigenetic/diagenetic history involving fluids with varying pH, redox, and salt composition. The inferred geochemical conditions were favorable for microbial habitability and if life ever existed, there was likely sufficient organic C to support a small microbial population.

Sutter, Brad↗

DOE OSTI2024

NEWTS Argonne Geothermal Geochemical Database with CoDART

A database of geochemical compositions of aqueous species in potential geothermal resources. The NETL NEWTS team has formatted the original Argonne V2 database for Charge Balance, Input into OLI Studio, and Input into GWB. (Geochemist WorkBench) In addition, some missing species in the original database were predicted using machine learning techniques within CoDart software, a public ML software developed by the Nation Energy Technology Laboratory. We have made the Input into CoDart and one example output from CoDart available in this dataset.

Aqueous Chemistry↗

DOE OSTI2026

NEWTS Integrated Dataset (version 2.0)

The National Energy Water Treatment and Speciation (NEWTS) Integrated Dataset v2.0 provides water researchers, community leaders, regulators, and industry stakeholders with a unified and standardized energy-process wastewater chemistry database. This resource is derived from 39 state and federal entities, and scientific publications, and contains more than 700,000 sample records, many of which also provide geospatial information. The dataset includes chemistry data for several different energy-process wastewater types including produced water, other oil and gas wastewaters, mine drainage, coal ash leachate, power plant wastewater, and geothermal fluids. The NEWTS Integrated Dataset was built to support prudent decision-making, characterization of potential critical mineral sources, and modeling of treatment and valorization options. A subset of this novel resource is also featured on the NEWTS State-Level Database Dashboard. Additional data can be found in the NEWTS EDX Group and the NEWTS Federal Database Dashboard.

AMD↗

DOE OSTI2020

Multi-Scale Modeling Framework for Mercury Biogeochemistry

Multi-Scale modeling of mercury (Hg) geochemical speciation and reactions has been performed by integrating atomistic quantum chemical calculations with continuum scale speciation models. Major progress has been made in the improvement of quantum chemical models to calculate critical thermodynamic data for Hg complexes in aquatic environments. Rapid and reliable quantum chemical approaches have been developed for calculating acid dissociation constants (pK a ) and stability constants (log K), with calculated mean unsigned errors of 0.5 and 1.5 log units, respectively for ligand molecules and Hg complexes. At the continuum scale, systematic analysis of uncertainty propagation in mercury (Hg) speciation modeling has been conducted and was used to identify environmental conditions under which thermodynamic constant uncertainties are significant and recommended to be accounted for. The integrated framework for multi-scale modeling of mercury geochemistry is open to the research community through the web-based multiscale modeling aqueous speciation resource, AQUA-MER. The improved quantum chemical approaches for thermodynamic constant calculations are accessible through AQUA-MER and can be used to provide the missing constants in the continuum scale speciation calculations. In addition to low molecular mass Hg complex speciation, modeling natural aquatic environments also involve the transport of high molecular weight dissolved organic matter (DOM) in reactive flows simultaneously with equilibrium and kinetic reactions. To this end, atomistic MD simulations were performed to capture the details of aggregation, mechanisms and distribution of functional groups in DOM at the molecular level. The elemental composition and calculated bulk properties of the DOM models are in close agreement with experimental measurements. A travel-time based reactive transport model in the hyporheic zone of stream corridors was established for the multicomponent Hg-DOM-S system and implemented through PFLOTRAN.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2001

Thiols in Hydrothermal Solution: Standard Partial Molal Properties and Their Role in the Organic Geochemistry of Hydrothermal Environments

Modern seafloor hydrothermal systems are locations where great varieties of geochemistry occur due to the enormous disequilibrium between vent fluids and seawater. The disequilibrium geochemistry has been hypothesized to include reactions to synthesize organic compounds. Despite the incomplete understanding of the carbon budget in hydrothermal systems, the organic geochemistry of these sites has received little attention. Experimental simulations of these environments, however, indicate that organic compounds may have difficulty forming in a purely aqueous environment. On the other hand, thiols, thioesters and disulfides have been implicated as reaction intermediates between CO or CO2 in experiments of carbon reduction in hydrothermal environments, as well as in a variety of biological processes and other abiotic reactions. The reduction of CO2 to thesis, for example, is observed using the FeS-H2S/FeS2 couple to provide the reducing power. We have used recent advances in theoretical geochemistry to estimate the standard partial moral thermodynamic properties and parameters for the revised Helgeson-Kirkham-Flowers equation of state for aqueous straight-chain alkyl thesis. With these data and parameters we have evaluated the role that organic sulfur compounds may play as reaction intermediates during organic compound synthesis. We conclude that organic sulfur compounds may hold the key to the organic chemistry leading to the origin of life in hydrothermal settings. These results may also explain the presence of sulfur in a number of biomolecules present in ancient thermophilic microorganisms.

Schulte, Mitchell D.↗

NASA NTRS2016

Elemental Gains/Losses Associated with Alteration Fractures in an Eolian Sandstone, Gale Crater, Mars

The Mars Science Laboratory rover Curiosity has traversed up section through approximately 100 m of sedimentary rocks deposited in fluvial, deltaic, lacustrine, and eolian environments (Bradbury group and overlying Mount Sharp group). The Stimson formation unconformably overlies a lacustrine mudstone at the base of the Mount Sharp group and has been interpreted to be a cross-bedded sandstone of lithified eolian dunes. Unaltered Stimson sandstone has a basaltic composition similar to the average Mars crustal composition, but is more variable and ranges to lower K and higher Al. Fluids passing through alteration "halos" adjacent to fractures have altered the chemistry and mineralogy of the sandstone. Elemental mass gains and losses in the alteration halos were quantified using immobile element concentrations, i.e., Ti (taus). Alteration halos have elemental gains in Si, Ca, S, and P and large losses in Al, Fe, Mn, Mg, Na, K, Ni, and Zn. Mineralogy of the altered Stimson is dominated by Ca-sulfates, Si-rich X-ray amorphous materials along with plagioclase feldspar, magnetite, and pyroxenes. The igneous phases were less abundant in the altered sandstone with a lower pyroxene/plagioclase feldspar. Large elemental losses suggest acidic fluids initially removed these elements (Al mobile under acid conditions). Enrichments in Si, Ca, and S suggest secondary fluids (possibly alkaline) passed through these fractures leaving behind X-ray amorphous Si and Ca-sulfates. The mechanism for the large elemental gains in P is unclear. The geochemistry and mineralogy of the altered sandstone suggests a complicated diagenetic history with multiple episodes of aqueous alteration under a variety of environmental conditions (e.g., acidic, alkaline).

Ming, D. W.↗

NASA NTRS2008

Proceedings of the 39th Lunar and Planetary Science Conference

Sessions with oral presentations include: A SPECIAL SESSION: MESSENGER at Mercury, Mars: Pingos, Polygons, and Other Puzzles, Solar Wind and Genesis: Measurements and Interpretation, Asteroids, Comets, and Small Bodies, Mars: Ice On the Ground and In the Ground, SPECIAL SESSION: Results from Kaguya (SELENE) Mission to the Moon, Outer Planet Satellites: Not Titan, Not Enceladus, SPECIAL SESSION: Lunar Science: Past, Present, and Future, Mars: North Pole, South Pole - Structure and Evolution, Refractory Inclusions, Impact Events: Modeling, Experiments, and Observations, Mars Sedimentary Processes from Victoria Crater to the Columbia Hills, Formation and Alteration of Carbonaceous Chondrites, New Achondrite GRA 06128/GRA 06129 - Origins Unknown, The Science Behind Lunar Missions, Mars Volcanics and Tectonics, From Dust to Planets (Planetary Formation and Planetesimals):When, Where, and Kaboom! Astrobiology: Biosignatures, Impacts, Habitability, Excavating a Comet, Mars Interior Dynamics to Exterior Impacts, Achondrites, Lunar Remote Sensing, Mars Aeolian Processes and Gully Formation Mechanisms, Solar Nebula Shake and Bake: Mixing and Isotopes, Lunar Geophysics, Meteorites from Mars: Shergottite and Nakhlite Invasion, Mars Fluvial Geomorphology, Chondrules and Chondrule Formation, Lunar Samples: Chronology, Geochemistry, and Petrology, Enceladus, Venus: Resurfacing and Topography (with Pancakes!), Overview of the Lunar Reconnaissance Orbiter Mission, Mars Sulfates, Phyllosilicates, and Their Aqueous Sources, Ordinary and Enstatite Chondrites, Impact Calibration and Effects, Comparative Planetology, Analogs: Environments and Materials, Mars: The Orbital View of Sediments and Aqueous Mineralogy, Planetary Differentiation, Titan, Presolar Grains: Still More Isotopes Out of This World, Poster sessions include: Education and Public Outreach Programs, Early Solar System and Planet Formation, Solar Wind and Genesis, Asteroids, Comets, and Small Bodies, Carbonaceous Chondrites, Chondrules and Chondrule Formation, Chondrites, Refractory Inclusions, Organics in Chondrites, Meteorites: Techniques, Experiments, and Physical Properties, MESSENGER and Mercury, Lunar Science Present: Kaguya (SELENE) Results, Lunar Remote Sensing: Basins and Mapping of Geology and Geochemistry, Lunar Science: Dust and Ice, Lunar Science: Missions and Planning, Mars: Layered, Icy, and Polygonal, Mars Stratigraphy and Sedimentology, Mars (Peri)Glacial, Mars Polar (and Vast), Mars, You are Here: Landing Sites and Imagery, Mars Volcanics and Magmas, Mars Atmosphere, Impact Events: Modeling, Experiments, and Observation, Ice is Nice: Mostly Outer Planet Satellites, Galilean Satellites, The Big Giant Planets, Astrobiology, In Situ Instrumentation, Rocket Scientist's Toolbox: Mission Science and Operations, Spacecraft Missions, Presolar Grains, Micrometeorites, Condensation-Evaporation: Stardust Ties, Comet Dust, Comparative Planetology, Planetary Differentiation, Lunar Meteorites, Nonchondritic Meteorites, Martian Meteorites, Apollo Samples and Lunar Interior, Lunar Geophysics, Lunar Science: Geophysics, Surface Science, and Extralunar Components, Mars, Remotely, Mars Orbital Data - Methods and Interpretation, Mars Tectonics and Dynamics, Mars Craters: Tiny to Humongous, Mars Sedimentary Mineralogy, Martian Gullies and Slope Streaks, Mars Fluvial Geomorphology, Mars Aeolian Processes, Mars Data and Mission,s Venus Mapping, Modeling, and Data Analysis, Titan, Icy Dwarf Satellites, Rocket Scientist's Toolbox: In Situ Analysis, Remote Sensing Approaches, Advances, and Applications, Analogs: Sulfates - Earth and Lab to Mars, Analogs: Remote Sensing and Spectroscopy, Analogs: Methods and Instruments, Analogs: Weird Places!. Print Only Early Solar System, Solar Wind, IDPs, Presolar/Solar Grains, Stardust, Comets, Asteroids, and Phobos, Venus, Mercury, Moon, Meteorites, Mars, Astrobiology, Impacts, Outer Planets, Satellites, and Rings, Support for Mission Operations, Analog Education and Public Outreach.

Source record↗

NASA NTRS2009

The Duration of Chemical Weathering of Gusev Crater's Wishstone-Watchtower Sequence

Mineralogical abundance of primary minerals versus secondary minerals, chemical mixing relationships, and elemental ratios have been used to assess the degree of aqueous alteration at Gusev Crater and Meridiani Planum. However, limited work has used Ti-normalized mass-balance analysis chemical data to quantify gains and losses of elements from altered materials as well as estimate the duration of aqueous alteration on Mars. The Ti-normalized mass-balance approach accounts for volumetric changes associated with geochemical alteration. If volumetric changes are not considered, observed geochemical trends based on un-normalized data have the potential to be misleading. Assessing gains and losses from altered materials can indicate the geochemistry of fluids involved in the alteration. Furthermore, elemental losses can be combined with dissolution rates to estimate the duration of chemical weathering. Knowledge of the duration of aqueous alteration will provide insight into the climate history of Mars as well as indicate the potential for microbial habitability. The Wishstone-Watchtower materials in Gusev Crater are suitable candidates for Ti-normalized mass-balance analysis because mixing relationships of these two materials indicate that Watchtower materials may be derived from Wishstone-like materials. The objectives of this work are to (1) employ Ti-normalized mass-balance to assess gains and losses from the Wishstone-Watchtower sequence and (2) to combine losses with laboratory dissolution rates to estimate alteration times of the Watchtower material.

Sutter, Brad↗

NASA NTRS2010

Laboratory Simulations of Mars Evaporite Geochemistry

Evaporite-rich sedimentary deposits on Mars were formed under chemical conditions quite different from those on Earth. Their unique chemistries record the chemical and aqueous conditions under which they were formed and possibly subsequent conditions to which they were subjected. We have produced evaporite salt mineral suites in the laboratory under two simulated Martian atmospheres: (1) present-day and (2) a model of an ancient Matian atmosphere rich in volcanic gases. The composition of these synthetic Mars evaporites depends on the atmospheres under which they were desiccated as well as the chemistries of their precursor brines. In this report, we describe a Mars analog evaporite laboratory apparatus and the experimental methods we used to produce and analyze the evaporite mineral suites.

Moore, Jeffrey M.↗

NASA NTRSDate not supplied

Overview of the Bedrock Geochemistry and Mineralogy Observed By Supercam During Perseverance’S Delta Front Campaign

In February 2021, the Perseverance rover landed in Jezero crater, Mars. The crater floor was found to be composed of lava flows and cumulate rocks. These magmatic rocks appear to have undergone some limited aqueous alteration; however, it is not clear whether this alteration is related to the lacustrine phase of the crater. After completing its exploration of the crater floor, Perseverance reached the foot of the Jezero western fan in late April 2022 (sol ~422). Long-distance images acquired earlier in the mission had already confirmed the deltaic nature of the fan, which had long been suspected from orbital observations. Between April and December 2022, Perseverance investigated the basal layers of the delta at two locations named Hawksbill Gap and Cape Nukshak, which are ~400 m apart. Here, we present an overview of the geochemistry and mineralogy of the delta rocks as observed by SuperCam and show that these rocks record a diversity of past aqueous alteration environments.

E. Dehouck↗

DOE OSTI2025

Pennsylvania Department of Environmental Protection (PA DEP) 26r Detailed Produced Water Compositions (version 2.0)

A database of geochemical compositions of aqueous species in produced water reported to the PA Department of Environmental Protection (PA DEP). Samples were collected between late-2010 to late-2024. Data from publicly available PA DEP 26r reports were scraped from pdf files and cumulated into tabular spreadsheet format for >3,000 produced water streams from Marcellus Shale wells in Pennsylvania. In addition to providing the original values, the NETL NEWTS team has reformatted the dataset to allow sample streams to be easily copied into OLI Studio and Geochemist WorkBench (GWB) software for modeling the geochemistry and the recovery of critical minerals, such as lithium, from these produced water streams. ***This dataset is an updated version of the PA DEP 26r Detailed Produced Water Compositions (version 1.0) dataset, providing expanded spatial and temporal coverage.***

Aqueous Chemistry↗

DOE OSTI2021

Surface Water Chemistry and Water and Nitrogen Isotopes, Teller Road Site, Seward Peninsula, Alaska, 2016 and 2017

Data include results from water chemistry and water isotope analyses for surface water samples collected at the NGEE Arctic Teller Road site at mile marker 27 (TL_MM27) on the Seward Peninsula, Alaska, July through September of 2016 and May through September of 2017. The samples were collected using automated samplers (ISCO Model 6712; Teledyne, USA), with regular collection (every 24 hrs in 2016 and every 48 hrs in 2017). Surface water samples were collected from three locations along the main drainage: ISCO 1 from the tributary (64.729060°, -165.946210°), ISCO 3 which was located upstream (64.733640°, -165.955410°) and ISCO 2 which was located downstream (64.726410°, -165.946820°). Dataset includes a *.pdf user guide and one *.csv data file.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Soil Water Chemistry and Water and Nitrogen Isotopes, Teller Road Site and Kougarok Hillslope, Seward Peninsula, Alaska, 2016 - 2019

Data includes results from soil pore-water ions and isotopes sampled from July 2016 through August 2019 at Kougarok Hillslope at mile marker 64 (KG_MM64), Kougarok Road at mile marker 51 (KG_MM51), and the Teller site at mile marker 27 (TL_MM27) in the Seward Peninsula, Alaska. Water was collected using rhizons, wicks, and a sipper. This dataset is used in the Conroy et al., in prep.NGEE Arctic Project SummaryThe Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2017

The Effect of Shock on the Amorphous Component in Altered Basalt

Investigation of the geochemical and mineralogical composition of the Martian surface provides insight into the geologic history of the predominantly basaltic crust. The Chemistry and Mineralogy (CheMin) instrument onboard the Curiosity rover has returned the first X-Ray diffraction data from the Martian surface. However, large proportions (27 +/- 14 with some estimates as high as 50 weight percentage) of an amorphous component have been reported. As a remedy to this problem, mass balance equations using geochemistry, volatile chemistry, and mineralogy have been employed to constrain the geochemistry of the amorphous component. However, "the nature and number of amorphous phases that constitute the amorphous component is not unequivocally known". Multiple hypotheses have been proposed to explain the origin of this amorphous component: Allophane (Al2O); Basaltic glass (Volcanic and impact); Palagonite (Altered basaltic glass); Hisingerite (Fe (sup 3 plus)-bearing phyllosilicate); S/Cl-rich component (sulfates and/or akaganeite); Nanophase ferric oxide component (npOx). Establishing a multi-phase amorphous component from a basaltic precursor that has undergone physical and chemical weathering within geochemical constraints is of paramount importance to better understand the composition of a large portion of the Martian surface (up to 50 weight percentage). Shocked basalts from Lonar Crater in India are valuable analogs for the Martian surface because it is a well-preserved impact crater in a basaltic target. Having undergone pre- and post-shock aqueous alteration, these rocks provide crucial data regarding the effect of shock on the amorphous component in altered basalt. By conducting mass balance equations similar to what has been performed for Gale crater materials, we attempt to calculate the geochemistry of the amorphous component in altered basalts ranging from unshocked to Class 5 (Table 1). This has the potential to reveal the nature and origin (i.e. primary igneous, shock metamorphic, and/or aqueous alteration occurring before or after the impact event) of the amorphous component in shocked basalt with the goal of unravelling the history of the Martian surface.

Eckley, S. A.↗