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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Chemical composition, coordination, and stability of Ca–organic associations in the presence of dissolving calcite

Environmental biotic and abiotic factors and soil physical, mineralogical, and chemical properties control the chemical composition of soil organic matter (SOM). Particularly, soil mineralogy and the presence of multivalent cations affect SOM labile fraction composition, stability, and environmental persistence. The persistence of SOM in aridic or limestone deposit derived soils, i.e., calcareous soils, has been partially attributed to SOM stabilization through adsorption or inclusion into the calcite mineral structure. Recently, however, it was shown that Ca(aq) released during calcite dissolution formed aqueous Ca–organic associations with OM components, which were unbound to mineral surface sites. This study investigates the structure, composition, and coordination of these associations by characterizing lyophilized Ca–organic containing solutions with spectromicroscopy [Scanning Transmission X-ray Microscopy (STXM)] and with a nanoimaging chemical probe [Infrared scattering-Scanning Nearfield Optical Microscopy (IR s-SNOM)]. Chemical stability of Ca–organic associations is furthermore determined with pyrolysis mass spectrometry analysis. The results demonstrate that Ca–organic associations are formed in the presence of dissolving calcite and OM components relevant to soil chemistry, i.e., lignin and amino acids. This study further reveals a spatial homogeneity of solution-derived (bi) carbonate in Ca–organic associations indicating for the first time that an inorganic anion, such as (bi)carbonate, may be part of these associations. Most likely, Ca ions are bound to both the (bi)carbonate and the organic components. These Ca (bi)carbonate–organic associations seem to have greater chemical stability than the pristine organic mixtures and, possibly, a higher environmental stability and reduced mineralization rate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Soil carbon stocks in temperate grasslands differ strongly across sites but are insensitive to decade-long fertilization

We report enhancing soil carbon (C) storage has the potential to offset human-caused increases in atmospheric CO 2 . Rising CO 2 has occurred concurrently with increasing supply rates of biologically limiting nutrients such as nitrogen (N) and phosphorus (P). However, it is unclear how increased supplies of N and P will alter soil C sequestration, particularly in grasslands, which make up nearly a third of non-agricultural land world-wide. Here, we leverage a globally distributed nutrient addition experiment (the Nutrient Network) to examine how a decade of N and P fertilization (alone and in combination) influenced soil C and N stocks at nine grassland sites spanning the continental United States. We measured changes in bulk soil C and N stocks and in three soil C fractions (light and heavy particulate organic matter, and mineral-associated organic matter fractions). Nutrient amendment had variable effects on soil C and N pools that ranged from strongly positive to strongly negative, while soil C and N pool sizes varied by more than an order of magnitude across sites. Piecewise SEM clarified that small increases in plant C inputs with fertilization did not translate to greater soil C storage. Nevertheless, peak season aboveground plant biomass (but not root biomass or production) was strongly positively related to soil C storage at seven of the nine sites, and across all nine sites, soil C covaried with moisture index and soil mineralogy, regardless of fertilization. Overall, we show that site factors such as moisture index, plant productivity, soil texture, and mineralogy were key predictors of cross-site soil C, while nutrient amendment had weaker and site-specific effects on C sequestration. This suggests that prioritizing the protection of highly productive temperate grasslands is critical for reducing future greenhouse gas losses arising from land use change.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Coso Geothermal Spectral Library for Rocks and Minerals

An integrated open mineral spectral library designed to enhance the utility and precision of mineral spectral data for geothermal exploration, developed from a reliable and comprehensive digital dataset for seamless sharing by integrating field data, the USGS spectral library, and pertinent information obtained from Coso geothermal field (Coso) in California. The ASD FieldSpec portable spectrometer was utilized for collecting spectral data, which was subsequently analyzed using the THOR Material Identification tool in ENVI, The Spectral Geologist (TSG) software by CSIRO, and the Fully Constrained Linear Spectral Unmixing algorithm (FCLSU) in MATLAB. Scanning Electron Microscopy (SEM) with a mineralogy-analyzing function was employed to assess the mineral composition of samples, ensuring precise mineralogical analysis. A portable X-ray fluorescence (pXRF) spectrometer was also utilized to gather information on elemental enrichment. A framework for developing spectra data and establishing spectral libraries for various geological cases was proposed within this study. The characteristic spectra of six alteration minerals - alunite, chalcedony, epidote, hematite, kaolinite, and opal - were acquired from Coso samples. The spectral library for the Coso alteration minerals was introduced for further application in academic study or industrial exploration. To browse the Coso Geothermal Spectral data and related figures from spreadsheets: #1 Unzip and store the following items in the same folder. 'Contact Probe Data.zip', 'Sample Photos.zip', and 'Coso spectra of higher-certainity minerals.xlsx'. #2 Open 'Coso spectra of higher-certainity minerals.xlsx'. The hyperlinks in the spreadsheet lead to the folders or figures of: spectra .asd file, spectra ASC II file, spectra plots, and sample photos. The spectra data is raw data without splice correction. Spectra .asd files require particular software to open. (These cannot be opened in GIS software such as ArcGIS.) Spectra ASC II files can be opened in a text editor or spread sheet program.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Multi-Scale Lithofacies and Chemostratigraphic Analysis of Two Middle Devonian Marcellus Shale Wells in Northern West Virginia, USA

The Marcellus Shale Energy and Environmental Laboratory (MSEEL) consists of two project areas within the dry gas producing region of the Marcellus shale play in Monongalia County, West Virginia. MSEEL is a collaborative field project led by West Virginia University, with Northeast Natural Energy LLC, several industrial partners, and sponsored by the US Department of Energy National Energy Technology Laboratory. The study areas are drilled approximately 8.5 miles apart to better understand the vertical and lateral changes in stratigraphy over a short distance. Two vertical pilot wells, MIP-3H and Boggess 17H were drilled in the fall of 2015 and spring of 2019, respectively. Core was recovered from the MIP-3H (API: 47-061-01707-00-00) 112 feet (34m) between depths of 7445 to 7557 feet, and from the Boggess 17H (API: 47-061-01812-00-00) 139 feet (42m) between depths of 7908 and 8012 ft. A full suite of triple combo (gamma ray, neutron, density logs), image logs, and advanced logging tools were run in both wells and calibrated to core analysis. Core analysis includes medical computed tomography (CT) scans, mineralogy and chemostratigraphy determined from handheld X-Ray fluorescence (hhXRF) and X-Ray powder diffraction (XRD) measurements, and determination of total organic content (TOC). Lithofacies were determined at core-scale using traditional core description techniques and medical CT-scan images. Log-scale facies are based on mineralogy and TOC data and developed using petrophysical logging data calibrated to core data (XRD and pyrolysis data). Chemostratigraphic analysis utilized hhXRF data to determine the major and trace element trends in the cores. In the two wells six shale lithofacies were recognized at the core and log scale. Both wells show organic-rich facies (TOC > 6.5%) primarily in the middle and lower Marcellus, with a slight decrease in thickness of this interval in the Boggess 17H. This interval is interpreted as an increase in paleo-productivity (increased Ni, Zn, and V), decreased sedimentation (decreased detrital proxies), and anoxic to euxinic conditions (increased Mo and chalcophile elements). Paleo-redox conditions in both wells are dynamic throughout deposition transitioning between euxinic/anoxic to dysoxic/oxic. This trend is seen through elemental proxies and calcite/pyrite concretion distributions.

03 NATURAL GAS↗
DOE OSTI2021

Multiscale Characterization of the Caney Shale — An Emerging Play in Oklahoma

From a hydrocarbon perspective, the Caney Shale has historically been evaluated as a sealing unit, which resulted in limited studies characterizing the rock properties of the Caney Shale and its suitability for hydraulic fracturing. The objective of our research is to help bridge the current knowledge gap through the integration of multiscale laboratory techniques and to characterize the macro- and microscale rock properties of the Caney Shale. We employed an integrated approach for the characterization of the Caney using 200 ft (61 m) of Caney core from a target well in southern Oklahoma. Core observation and petrographic analysis of thin sections were combined to characterize the general rock types and associated fabrics and textures. Mineralogical composition, pore system architecture, and rock fabric were analyzed using x-ray diffraction (XRD), scanning electron microscopy/energy dispersive x-ray spectroscopy (SEM/EDS), and focused ion beam (FIB)-SEM. In addition, rebound hardness and indentation testing were carried out to determine rock hardness (brittleness) and elasticity, respectively. With the integrated multiscale characterization, three mixed carbonate-siliciclastic rock types were identified — mudstone, calcareous siltstone, and silty carbonate — likely representing a spectrum of deposition from low to relatively high energy environments in the distal portions of a ramp system. Silty carbonate contains mostly interparticle pores. The calcareous siltstones and silty mudstones contain a combination of organic matter pores and interparticle pores. Each of the rock types shows unique mineralogical compositions based on XRD. The mudstone lithofacies has the highest clay content and the least carbonate content. Calcareous siltstones show moderate carbonate and clay content. Silty carbonate indicates the highest carbonate content with the least clay content. In an order of mudstone, calcareous siltstone, and silty carbonate, rebound hardness and Young’s modulus show an increasing trend. As a result of rock-fluid interactions, there are potential scaling reactions during completion and production that could ultimately affect permeability and production rates. Overall, the proposed multiscale integration approach is critical for the geologic characterization of most rocks. However, in shale reservoirs dominated by microporosity and microstructure where engineered fractures are expected to provide permeability at a reservoir scale, successful integration is essential. An optimized, integrated geological characterization of the Caney Shale that is well aligned with the engineering designs in drilling, completing, and producing wellbores will ultimately lead to optimal production while providing safe and environmentally responsible operations.

Wang, Yulun↗
DOE OSTI2020

Paleotopography controls weathering of Cambrian-age profiles beneath the Great Unconformity, St. Francois Mountains, SE Missouri, U.S.A.

ABSTRACT Precambrian (1.4 to 1.5 Ga) granite and rhyolite in the St. Francois Mountains at the northeast corner of the Ozark Plateau in Missouri has been altered down to a depth up to 8 meters below the Great Unconformity (the contact between Paleozoic sedimentary rock and underlying Precambrian). Petrographic, geochemical, and mineralogic data indicate that at least two events generated this alteration: 1) surficial weathering due to subaerial exposure of the granite before Cambrian burial—this material is preserved as a paleosol; and 2) alteration due to reaction with basinal fluids channeled along the unconformity from nearby sedimentary basins long after burial by Paleozoic strata. To assess the variation between surficial weathering and basinal fluid alteration, we measured and sampled for petrologic, geochemical, and mineralogic data in the rock at and just below the Great Unconformity at three paleoelevations. Whole-rock geochemical oxide and X-ray diffraction data indicate that K-metasomatism and highly crystalline illite occurred in each profile. The K increase reflects crystallization of authigenic feldspar and illite from basinal fluids that were channeled along the Great Unconformity during younger Paleozoic fluid-flow events. Each profile also exhibits an upward increase in altered feldspar crystals and highly crystalline kaolinite, and an upward decrease in Ca and Na. Such changes reflect soil formation due to reaction with meteoric water before Cambrian burial, indicating that the altered granite was a paleosol before Paleozoic basinal fluid-flow events. Notably, the paleosol at the highest paleoelevation displays the least amount of paleoweathering and the paleosol at the lowest displays the greatest amount of paleoweathering. These results demonstrate that not only can characteristics of the paleosol just below the Great Unconformity be recognized in the St. Francois Mountains, despite subsequent alteration, but also it is possible to detect variations in soil thickness that were controlled by slope steepness and, therefore, water availability and/or soil creep or failure. This spatial relationship is compatible with studies of modern soils which indicate that soil character varies with position on a slope.

Geology↗
DOE OSTI2020

Engineered Barrier System R&D and International Collaborations – LANL (FY20): Spent Fuel and Waste Disposition

The United States Department of Energy’s Spent Fuel and Waste Disposition (SFWD) program is investigating the design and safety function of generic nuclear geologic repositories in a variety of geologic settings (salt, argillite, and crystalline rock). Different configurations and loadings of spent nuclear fuel and waste within disposal canisters are also being investigated, some of which have the potential to generate repository temperatures higher than previously considered (i.e., temperatures >100ºC) by foreign and domestic concepts. This report expands on engineered barrier material stability in a high temperature crystalline rock repository through high temperature hydrothermal experiments. Experiments were designed to develop engineered barrier system (EBS) concepts in a hightemperature crystalline environment in 1) bentonite-Grimsel Granodiorite interactions, 2) bentonite-cement reactions, and 3) interaction between waste canister materials and bentonite. Experiment results are applied to understanding long-term repository performance in terms of radionuclide isolation. One hydrothermal experiment was completed in the rocking autoclaves at LANL in FY-20: IEBS-6 (Grimsel Granodiorite + Wyoming bentonite + cured ordinary Portland cement + Grimsel Granodiorite synthetic groundwater, 250ºC/150 bar, 8 weeks). Several other experiments were planned but were delayed due to the COVID-19 pause in laboratory work. In addition, some characterization of the reaction products of experiments conducted in FY-20 was prevented by COVID-19. Mineral phase chemistry was not measured via electron microprobe analyses for IEBS-6. Quantitative X-ray diffraction results from IEBS-6 and HBT-1 were not completed. The missing analyses and discussion of the results will be included in next year’s report. New characterization that was completed includes scanning electron microscopy of reaction products from IEBS-6, quantitative X-ray diffraction results are presented from IEBS-1 through IBES-5, preliminary scanning electron microscope images and chemical analyses for IEBS-6, X-ray diffraction of the clay fraction from all experiments, measurement/imaging of mineral growth on the surface of steel coupons. Major observations pertaining to bentonite stability in a Grimsel Granodiorite environment include the stability of Na-montmorillonite at 250°C, the formation of trace CSH phases, and the formation of bentonite colloids on experiment cooling. The addition of a cured chip of Portland cement to the bentonite-Grimsel system results in slightly higher pH values and the formation of diverse secondary mineral phases that were not observed in the previous experiments (e.g., analcime, garronite, CSH phases). The new characterization efforts related to the interaction of stainless-steel coupons and bentonite clay focused on thickness and mineralogy of phases that formed at the steel surface. In Wyoming bentonite + Grimsel Granodiorite systems, newly formed minerals at the bentonitesteel coupon interface included alteration of the outermost steel edge to Fe,Cr-oxide phases, followed by Fe-rich phyllosilicates (Fe-saponite, chlorite) and interbedded Fe,Cr,Ni-sulfide phases (pentlandite). Hydrothermal experiments were completed to assess uranium-carbonate complexation at conditions relevant to high-temperature disposal. Autoclave solubility experiments were conducted at 150 to 250ºC with a range of carbonate and uranium concentrations. The experiment results were characterized via situ UV-Visible spectroscopy and synchrotron-based in situ XAS techniques. Results show a significant decrease in the stability of uranyl-carbonate complexes at temperatures above 100ºC along with the precipitation of uranium oxides. Further, at T > 200ºC, results show that uranyl-hydroxyl complexes control solubility of uranium instead of the previously predicted uranyl-carbonate species. These results are significant for understanding the mobility of uranium in the EBS, which will likely contain carbonate-rich fluids. International research efforts focused on three main areas: 1) participation in international conferences, 2) building collaborations with foreign repository programs, and 3) the initiation of an experimental program to complement the full-scale HotBENT test at the Grimsel test site. This experiment included Wyoming bentonite + low carbon steel + Grimsel Granodiorite synthetic groundwater and was run at the planned maximum temperature of the HotBENT test (200°C). Complete characterization of reaction products was hindered by disruptions to laboratory work but will be reported in the next FY. The experimental results obtained in FY-20 continue to document the wide-ranging effects of bulk composition and pressure-temperature conditions in the mineralogical and geochemical evolution of a high-temperature repository environment. Concepts developed will be used to inform models of long-term material stability in a generic crystalline rock-hosted repository.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Radionuclide Screening Analysis and Transport Parameters for Pahute Mesa Detonations, Nevada National Security Site

A “screening analysis” is implemented at Pahute Mesa (PM), Nevada National Security Site (NNSS), to determine subsets of the 43 radionuclides listed in the radionuclide inventory of Finnegan et al. (2016) that are of relevance or potential relevance to the hydrologic source term (HST) for assessment of radionuclide transport in groundwater. Consideration is added to how levels of contamination are defined and whether any other radionuclides not in the inventory are relevant to the HST. A model is developed to estimate a range of possible source concentrations in groundwater that account for uncertainty in partitioning into melt glass and sorption into surrounding rock of the exchange zone for the 82 PM underground nuclear tests detonated in vertical shafts. The model also accounts for the varied hydrogeochemical settings. Transport parameters needed for the screening model calculations are developed from databases for hydrogeologic units, chemistry, mineralogy, fracture spacing, fracture aperture, fracture openness, matrix porosity, bulk density, saturation, and alteration. Of key importance is consideration of diagenetic zonation of the mineralogy related to hydrothermal alteration. The screening analysis compares model results with available groundwater radiochemistry data. Consistency between screening model results and available data helps validate the model for application to all 43 radionuclides, most of which have no measurements or only non-detect measurements of concentration in groundwater. The screening analysis determines that ten radionuclides – tritium, Sr-90, I-129, Cs-137, U-232, U-233, U-234, U-238, and the total of Pu-239 and Pu-240 are relevant to the HST. Determination of relevance is primarily based on data and/or model results indicating source concentration exceeding a maximum contaminant level (MCL) out to 100 years since the time of detonation. U-238 is relevant to assessment of contamination relative to MCLs for uranium and gross alpha particle activity. Five other radionuclides – C-14, Cl-36, Tc-99, Np-237, and Pu-238 – are determined potentially relevant to the HST based on a 0.1 MCL threshold. The screening analysis recommends additional attention to the natural daughter radionuclides of the uranium series (U-238) and thorium series (Th-232) decay chains, particularly Ra-226 and Ra-228, that were not included the inventory.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Tuscaloosa Marine Shale Laboratory

The Tuscaloosa Marine Shale (TMS) in Louisiana and Mississippi is an Upper Cretaceous source rock formation sandwiched between the sands of the upper and lower Tuscaloosa sections. The TMS is believed to be the source rock for underlying prolific Tuscaloosa sand formation. The TMS has an unproven estimate of 7,000,000,000 bbls of recoverable oil while its current total average production is about 3,000 bbls of oil per day in 2017. In 2013 and 2014, more than 80 wells were drilled horizontally into the TMS that were fractured using multi-stage fracturing technology. The results from this have been mixed, but recent production for several wells show an appealing initial oil production rate of more than 1000 bbl/day. The preliminary core analysis by industry partners and a few literature studies shows that the TMS is one of the most clay-rich and sensitive shales to water. Due to these and other technical problems, there is high risk for the economic development of TMS compared to other shale plays. The experiences of major industrial players in the TMS show the necessity of open and collaborative efforts to better understand the critical gaps in the development of this challenging and potentially highly economic shale play to enable more cost-efficient and environmentally-sound recovery from this unconventional liquid-rich shale play. The overall objective of this project is to form a consortium of science and industry partners to address the following six major objectives using scientific and technical approaches: 1. To improve wellbore integrity by better understanding the sources of the wellbore instability issues, proposing innovative mud and cement design for the TMS. 2. To improve formation evaluation using laboratory techniques for the evaluation of mineralogical composition, organic content, and produced-water chemistry as well as well log and geophysical analysis. 3. To determine the role of geologic discontinuities on fracture growth and shale creep behavior using digital image correlation technique. 4. To investigate the application of stable CO 2 foam and super-hydrophobic proppants for improved reservoir stimulation. 5. To better understand the nature of water/hydrocarbon/CO 2 flow in clay and organic-rich formation and the role of water/fluid interaction on recovery. 6. To prepare better socio-economic environment for TMS development by community engagement. Subsequently, the TMS virtual laboratory conducted testing and analysis of various properties of rock and formation fluids from the TMS, including but not limited to the following: Analyzing reports and logs to better understand the source of wellbore instability in TMS wells; Experiments to design a customized cement based on TMS requirements; Experiments to obtain the mineralogical and geochemical composition of TMS samples; Seismic analysis of TMS geophysical data to better predict total organic carbon (TOC) content and brittleness in TMS; Well log analysis to better estimate the TOC and geo-mechanical properties of TMS; Experiments on formation water to understand the chemistry of produced water; Experiments to determine the role of lamination and natural fractures on fracture propagation or rock deformation using digital image correlation technique in in-direct tensile tests, semi-circular bend test and creep tests Experiments to determine the stability and rheological properties of nanoparticle-stabilized CO 2 foam in TMS rock samples; Experiments to determine fluid dynamics in un-propped TMS fractures and the role of nano-coating of proppants on fluid dynamics in fractures with proppants; Micro-fluidics experiments to enhance the understanding of fluid dynamics in tight liquidrich pores with high clay content; Socio-economic studies to better engage communities in TMS development.

58 GEOSCIENCES↗
DOE OSTI2022

King City Asbestos Corporation (KCAC) Mine Carbon Mineralization Field Test (Final Combined Report)

The overall objective of the KCAC carbon mineralization project is to determine the most successful approaches to CO 2 mineralization of asbestos-bearing serpentinite rocks and mine waste at the closed KCAC asbestos mine. The objectives of Budget Period 1 (BP1) are to characterize the site including, mineralogical and geochemical variability in site materials, baseline conditions including CO 2 flux and local climate, and to establish the designs for the second, experimental phase of the project. As described in Section 3 of this report, all tasks outlined in the Statement of Project Objective (SOPO) have been completed or are on schedule to be completed by the end of BP1. As described in Section 4, all success criteria and milestones have been met or will be met by the end of BP1. We conclude that the findings of BP1 strongly support moving to the second phase of the project to investigate methods to increase the rate of CO 2 mineralization. CO 2 flux monitoring during BP1 established an estimated baseline uptake of CO 2 over the 142,193 m 2 KCAC mine site of 147 and 179 metric tons CO 2 /yr using dynamic closed chamber and eddy covariance monitoring methods, respectively. Mineralogical analysis shows that the loose surficial waste material contains pyroaurite and minor hydromagnesite, indicating past carbon mineralization. Sediment samples at depths below 60 cm contained ~3 wt% brucite and localized high brucite contents of ~24 wt% were measured at depth, indicating significant unreacted material at relatively shallow depths. Together, these results demonstrate that despite prolonged exposure to the atmosphere, reactive material is still present and accessible and is naturally taking up atmospheric CO 2 . However, these natural rates are still well below rates that can be achieved by applying practices that can accelerate the CO 2 mineralization reaction. Designs for the Field-Testing Phase (BP2) of the project have been established, incorporating the findings of BP1. Based on results to date we have selected two methods to accelerate the rate of CO 2 mineralization, which we refer to as the Tilling Method and the Greenhouse Method. We hypothesize that these methods can increase the CO 2 mineralization rate by up to 5 times greater than the natural background rate measured in BP1. An Initial Lifecyle Assessment (LCA) and techno-economic analysis (TEA) were conducted for these two methods. The LCA concluded that the baseline version of the Greenhouse and Tilling methods at commercial scale are expected to achieve a CDR efficiency of 97% and 71%, respectively (cumulative, over 30 years of operation). Incorporating the net CO 2 removal rates calculated in the LCA, the TEA found the levelized, 30-year costs of the baseline Greenhouse and Tilling methods to be $\$$95/t-CO 2 and $\$$119/t-CO 2 , respectively, and that costs could be brought to well below $\$$100/t-CO 2 for either method by scaling up the volume of rock utilized. An initial EH&S Risk Assessment, evaluating the potential EH&S risks of the proposed carbon mineralization methods at commercial scale, was completed by LLNL EH&S professionals for these two methods.

58 GEOSCIENCES↗
DOE OSTI2024

Chemistry in Retrieved Ryugu Asteroid Samples Revealed by Non-Invasive X-ray Microanalyses: Pink-Beam Fluorescence CT and Tender-Energy Absorption Spectroscopy

The Hayabusa2 space mission recently retrieved 5.4 g of material from asteroid Ryugu, providing the first direct access to pristine material from a carbonaceous asteroid. This study employs a novel combination of non-invasive synchrotron X-ray techniques to examine microscale chemistry (elemental distributions and element-specific chemical speciation and local structure) inside Ryugu grains without physically cutting the samples. Manganese primarily occurs in carbonate: Mn-bearing dolomite with minor earlier ankerite. Iron sulfides present as large single grains and as smaller particles in the finer-grained matrix are both predominantly pyrrhotite. At the 5 μm scale, Fe sulfides do not show the mineralogical heterogeneity seen in many carbonaceous meteorites but exhibit some heterogeneous localized oxidation. Iron is present often as intergrowths of oxide and sulfide, indicating incomplete replacement. Trace selenium substitutes for S in pyrrhotite. Copper is present as Fe-poor Cu sulfide. These results demonstrate multiple episodes of fluid alteration on the parent body, including partial oxidation, and help constrain the sequence or evolution of fluids and processes that resulted in the current grain-scale mineralogical composition of Ryugu materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Uranium Retardation Capacity of Lithologies from the Negev Desert, Israel—Rock Characterization and Sorption Experiments

A series of batch experiments were performed to assess the uranium sorption capacity of four mineralogically distinct lithologies from the Negev Desert, Israel, to evaluate the suitability of a potential site for subsurface radioactive waste disposal. The rock specimens consisted of an organic-rich phosphorite, a bituminous marl, a chalk, and a sandstone. The sorption data for each lithology were fitted using a general composite surface complexation model (GC SCM) implemented in PHREEQC. Sorption data were also fitted by a non-mechanistic Langmuir sorption isotherm, which can be used as an alternative to the GC SCM to provide a more computationally efficient method for uranium sorption. This is because all the rocks tested have high pH/alkalinity/calcium buffering capacities that restrict groundwater chemistry variations, so that the use of a GC SCM is not advantageous. The mineralogy of the rocks points to several dominant sorption phases for uranyl (UO 2 2+ ), including apatite, organic carbon, clays, and iron-bearing phases. The surface complexation parameters based on literature values for the minerals identified overestimate the uranium sorption capacities, so that for our application, an empirical approach that makes direct use of the experimental data to estimate mineral-specific sorption parameters appears to be more practical for predicting uranium sorption.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Oxidation of the Interiors of Carbide Exoplanets

Astrophysical measurements have shown that some stars have sufficiently high carbon-to-oxygen ratios such that the planets they host would be mainly composed of carbides instead of silicates. We studied the behavior of silicon carbide in the presence of water under the high pressure–temperature conditions relevant to planetary interiors in the laser-heated diamond-anvil cell. When reacting with water, silicon carbide converts to silica (stishovite) and diamond at pressures up to 50 GPa and temperatures up to 2500 K: $\mathrm{SiC}+2{{\rm{H}}}_{2}{\rm{O}}\to {\mathrm{SiO}}_{2}+{\rm{C}}+2{{\rm{H}}}_{2}$. Therefore, if water can be incorporated into carbide planets during their formation or through later delivery, they could be oxidized and have mineralogy dominated by silicates and diamond in their interiors. The reaction could produce CH 4 at shallower depths and H 2 at greater depths that could be degassed from the interior, causing the atmospheres of the converted carbon planets to be rich in reducing gases. Excess water after the reaction can be stored in dense silica polymorphs in the interiors of the converted carbon planets. Such conversion of mineralogy to diamond and silicates would decrease the density of carbon-rich planet, making the converted planets distinct from silicate planets in mass–radius relations for the 2–8 Earth mass range.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Evaluation of Drilling Performance at The Geysers with Machine Learning Methods Using Geologic Data

A recent well, GDC-36, was drilled in The Geysers Geothermal Field served in a Department of Energy-industry to demonstrate improved drilling performance with polycrystalline diamond compact (PDC) bits. Both PDC and roller cone drill bits were used to drill this well. Key challenges encountered during drilling included lost circulation in the mud-drilled section, and bit damage interfacial severity in the deeper, air-drilled section. The objective of this study is to evaluate the drilling performance in relation to the local geological characteristics using machine learning methods. By applying K-clustering to the sonic log data, we were able to identify areas correlated with measured lost circulation. Also, the boundaries defined by clustering of the mineralogical and lithological data from the mud logs correlate well with interfacial severity during drilling. A random forest model was employed to build correlation between drilling data and rock strength. The confined compressive strength (CCS) of the rock in the training of the machine learning model was inferred from the dipole sonic log. The R-squared of the testing data is 0.78, and the RMSE (Root Mean Squared Error) is 0.06. The trained model was used to forecast rock strength for the section where sonic log data are not available. CCS could also be inferred from mud logs provided the relationship between mineralogy and rock strength is established through core testing data.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Rock weathering controls the potential for soil carbon storage at a continental scale

Abstract As rock-derived primary minerals weather to form soil, they create reactive, poorly crystalline minerals that bind and store organic carbon. By implication, the abundance of primary minerals in soil might influence the abundance of poorly crystalline minerals, and hence soil organic carbon storage. However, the link between primary mineral weathering, poorly crystalline minerals, and soil carbon has not been fully tested, particularly at large spatial scales. To close this knowledge gap, we designed a model that links primary mineral weathering rates to the geographic distribution of poorly crystalline minerals across the USA, and then used this model to evaluate the effect of rock weathering on soil organic carbon. We found that poorly crystalline minerals are most abundant and most strongly correlated with organic carbon in geographically limited zones that sustain enhanced weathering rates, where humid climate and abundant primary minerals co-occur. This finding confirms that rock weathering alters soil mineralogy to enhance soil organic carbon storage at continental scales, but also indicates that the influence of active weathering on soil carbon storage is limited by low weathering rates across vast areas.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Microbially mediated iron redox cycling of subsurface sediments from Hanford Site, Washington State, USA

Iron-bearing clay minerals are predominant in soils and sediments, and they undergo oxidation-reduction cycles as a result of natural processes such as wetting/drying cycles and plant root respiration. However, the kinetics and mechanisms of multiple redox cycles of iron in clay-rich sediments and consequences of such cycling on sediment properties are poorly understood. The objective of this study was to understand how multiple redox cycles of Fe in clay-rich sediment affect the rate and extent of Fe bioreduction and the physicochemical properties of the sediment. A natural sediment sample containing Fe-bearing montmorillonite from Hanford, Washington, USA was size-fractionated [2.0 to 0.5 μm (Hanford-C) and 0.5 to 0.02 μm (Hanford-F)] and redox-cycled for four times. Bioreduction was achieved utilizing Geobacter sulfurreducens and re-oxidization was performed with sparged air. Time-course change of total Fe (II) was monitored to measure the rate and extent of Fe (III) bioreduction. Redox-cycled sediments were characterized to determine the physicochemical changes. Both the initial rate and extent of bioreduction fluctuated across the four redox cycles, but they ultimately decreased from 5.3 μmol g -1 h -1 and 22.9% to nearly zero by the fourth cycle. These fluctuation patterns were likely due to a combined effect of reductive dissolution of small/poorly crystalline clay particles (by 3–5%) and clay mineral structural changes, as evidenced by redox induced changes of aqueous chemistry, surface area, cation exchange capacity, mineralogy, and Mössbauer parameters. Once these small/poorly crystalline clay particles were dissolved, structural Fe in residual larger and more crystalline clay particles was largely reversible across additional redox cycles, as revealed by Mössbauer spectroscopy through the first three cycles.

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

Outgassing behavior and heat treatment optimization of JSC-1A lunar regolith simulant

As NASA strives towards a long duration presence on the Moon, it has become increasingly important to learn how to better utilize resources from the lunar surface for everything from habitats, vehicle infrastructure, and chemical extraction. To that end, a variety of lunar simulants have been sourced from terrestrially available volcanic minerals and glass as Apollo regolith is unavailable for experimentation needing large masses. However, while mineralogy and chemical composition can approach that of lunar material in these simulants, there are still distinct non-lunar phases such as hydrates, carbonates, sulfates, and clays that can cause simulants to behave distinctly non-lunar in a variety of processing conditions that maybe applied in-situ to lunar material. Notably, severe glassy bubbling has been documented in a variety of vacuum sintering experiments on JSC-1A lunar mare simulant heated via microwaves. The origins of this outgassing have not been well understood but are normally attributed to the decomposition of non-lunar contaminates intrinsic to virtually all terrestrially sourced simulants. As such, a series of controlled environmental tests were performed to ascertain the origins of the high temperature outgassing and to develop heat treatments that can drive JSC-1A closer to lunar composition and behavior. It was found that in JSC-1A at elevated temperatures distinct gas evolutions of water, carbon dioxide, and sulfur dioxide occur in both inert gas and vacuum. Additionally, the presence of hydrogen during heat treatments was shown to dramatically change gas evolutions, leading to distinctly more lunar-like composition and behavior from JSC-1A simulant.

58 GEOSCIENCES↗
DOE OSTI2021

Factors controlling pore network development of thermally mature Early Palaeozoic mudstones from the Baltic Basin (N Poland)

Understanding the formation of pore space, especially in low porosity shales (as source rocks and as unconventional resources), is critical to the oil and gas industry, since pores control the space available for hydrocarbon and participate in hydrocarbon transport. We examined 87 Ordovician and Silurian mudstone samples collected from four wells located in the Pomeranian part of the Baltic Basin (northern Poland), one of the primary Polish targets for hydrocarbon exploration. These samples represent the Pelplin, the Paslek, the Jantar, the Prabuty, and the Sasino Formations, which still requires more detailed porosity studies. Our study aimed to identify factors controlling porosity development, by applying bulk techniques (organic petrology and TOC analyses, quantitative mineralogy, and porosimetry) as well as nano- to microscale techniques (thin section petrography, electron microscopy). The studied samples are mainly argillaceous mudstones. The results of porosimetry measurements, combined with image analysis, indicate that the pores of all studied rocks are dominated by micropores (pores < 2 nm in diameter), mesopores (2-50 nm in diameter) and small macropores. The SEM images showed three main pore types: a) voids related to clay mineral aggregates, b) pores inside organic matter particles, and c) pores between other mineral grains. In the Jantar and Sasino mudstones, the organic matter content and its thermal maturity control porosity. The occurrence of solid bitumen in the rocks from these formations reduces samples’ mesoporosity because of the pore-clogging effect. In contrast, in the Paslek and Prabuty Formations, there is low organic matter content and specific surface area and the volume of mesopores increase with clay minerals content. In the Pelplin mudstones, there are no prevailing factors controlling porosity. As a result, we suggest that a combination of SEM image analysis and dual liquid porosity (DLP) measurements is a powerful method to assess porosity available for petroleum flow in mudstones.

03 NATURAL GAS↗