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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Impact Testing of Heat Source Exemplars

This report details the heat source impact testing performed at the Shock Thermodynamics Applied Research Facility (STAR). The purpose of these tests were to measure the impact behavior of a heated Ta-10W tantalum/tungsten alloy heat source exemplar. Each exemplar resembled a cylinder with a rectangular through-hole orthogonal to the cylinder axis-of-symmetry. In each test, the exemplar was impacted by a hardened steel impactor accelerated using the STAR air gun. The exemplars were impacted perpendicular to the through-hole and at an an angle to the cylindrical axis-of-symmetry. The exemplar bar stock source, impact angle, and impact velocity were varied throughout the testing series. High-speed video was used to measure dynamic impact behavior while photon doppler velocimetry (PDV) and shorting pins were used to measure the impact velocity. Foam support structures were used to thermally isolate the exemplar and provide a support structure which was non-perturbative to the impact event. Soft-catch techniques were used to minimize secondary impacts and enable recovery for detailed post-shot analysis. Results indicate positive correlation between exemplar fracture and the variables of impact velocity and impact angle. Exemplar fracture occurred consistently along a single corner of the through-hole.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Brittle-ductile transitions in a metallic glass

Recent computational and laboratory experiments have shown that brittle-ductile transitions in the notch toughnesses of metallic glasses such as Vitreloy 1 are strongly sensitive to the initial effective disorder (or “fictive”) temperature. Glasses with lower effective temperatures are weak and brittle; those with higher effective temperatures are strong and ductile. The analysis of this phenomenon presented here examines the onset of fracture at the tip of a notch as predicted by the shear-transformation-zone theory of spatially varying plastic deformation. The central ingredient of this analysis is an approximation for the dynamics of the plastic zone formed by stress concentration at the notch tip. As a result, this zone first shields the tip but then, with increasing stress, expands suddenly, producing a discontinuous transition between brittle and ductile failure in satisfactory agreement with the numerical and experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Characterizing Pore-Scale Geochemical Alterations in Eagle Ford and Barnett Shale from Exposure to Hydraulic Fracturing Fluid and CO 2 /H 2 O

As demand increases for an affordable energy source that is tied to an environmental obligation to reduce greenhouse gas emissions and water usage, there is a growing consideration in shale production utilizing processes such as 1) enhancing hydrocarbon recovery via carbon dioxide (CO 2 ) flooding, 2) using CO 2 as a fracturing agent to minimize water use, and 3) storing CO 2 in depleted shale formations to mitigate emissions to the atmosphere. Understanding the geochemical reactions and alterations that occur as shale is exposed to fluids and CO 2 is necessary to develop and optimize each of these processes for field applications. While the majority of shale formations are stimulated using traditional fracturing fluid, some may be fractured using CO 2 or other non-traditional means. We examine the effect fracturing fluid has on shale and how it behaves with secondary exposure to dry CO 2 or CO 2 -saturated water using in situ Fourier Transform infrared spectroscopy (FTIR), feature relocation scanning electron microscopy (SEM), and surface area and pore size analysis using volumetric gas sorption. These techniques were performed on Eagle Ford and Barnett shale samples that were exposed to fracturing fluid and unexposed (as received). Shales that have been exposed to traditional fracturing fluid experienced two reaction fronts. The first reaction front was formed during exposure to the fracturing fluid (pH of ~1.4). A secondary reaction front was formed as a result of CO 2 -saturated fluid exposure in the form of carbonic acid (pH ~5.6). These two different reaction mechanisms drove multiple dissolution and precipitation cycles which altered petrophysical properties of the shale and could lead to a significant impact on flow pathways. FTIR showed that equilibration of carbonate dissolution and precipitation cycles could take as long as 35 days. Samples exposed to fracturing fluid showed significantly less carbonate reactivity compared to those exposed to water. Pore size analysis results indicate exposure to fracturing fluid blocked small nanopores (10-15 nm) reducing BET surface area and total pore volume. SEM results show barite precipitated heavily during exposure to fracturing fluid. It appeared that carbonic acid was able to extract sulfur from organic matter to form gypsum evaporites. The mineralogical (barite precipitation and calcite dissolution/precipitation) and pore-scale alterations observed in these samples may lead to enhancement of flow pathways for injected CO 2 or produced hydrocarbons.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2020

Flow Channeling in Fracture Networks: Characterizing the Effect of Density on Preferential Flow Path Formation

Flow channelization is a commonly observed phenomenon in fractured subsurface media where the flow of fluids is restricted primarily to highly transmissive fracture networks surrounded by a low-permeability rock matrix. The multiscale structural heterogeneity of these networks results in multiscale flow channelization where preferential flow paths form at length scales ranging from the entire system down to the subfracture size. We present an analysis of how one of the largest scales in fractured media, the network density, influences the degree of flow channeling that occurs using an ensemble of semigeneric three-dimensional discrete fracture network (DFN) simulations. We construct 10 DFNs, whose fracture lengths follow a power law distribution, at four densities for a total of 40 networks. We characterize their structure in terms of the network topology and geometry. Eulerian and Lagrangian observations of the steady-state flow fields obtained within the networks are used to quantify the degree of flow channelization at the network scale. We introduce a measure for the importance-ranking/hierarchy of different flow paths in the network using graph-based analysis of Lagrangian transport by which the degree of flow channeling between networks is compared. These flow observations are then linked to the structural properties of the networks. In general, network-scale flow channeling decreases as the network density increases. However, at low densities, there is more uniform flow within the entire connected network than in high-density networks. We also demonstrate how standard transport observables can be used to infer the degree of flow channelization occurring within a fracture network.

58 GEOSCIENCES↗
DOE OSTI2020

Mechanical Properties and Deformation Behavior of Additively Manufactured 316L Stainless Steel (FY2020)

The Transformational Challenge Reactor (TCR) program plans to build most of the TCR core components through additive manufacturing (AM) processes. These processes include laser powder bed fusion (LPBF) for the metallic (316L) components and the newly developed combined process of binderjet printing and chemical vapor infiltration (CVI) for the SiC fuel matrix. Mechanical testing and characterization tasks have been carried out since the beginning of the TCR program to (1) build a property database for the AM materials that will be used in TCR core and (2) to assess the materials’ performance in TCR-relevant conditions. This document reports the outcome of the testing and characterization efforts for the fiscal year with a focus on the mechanical performance data of AM 316L stainless steel (SS). Baseline tensile testing over a wide temperature range of room temperature–600 °C was completed for the AM 316L alloy in as-built, stress-relieved, and solution-annealed conditions. The as-built 316L showed the highest strength, and the alloy after the post-build treatments showed reduced strengths in the low-strain range. However, the strength differences among the AM materials became insignificant in the later part of deformation. Furthermore, regardless of post-build processing, the AM 316L SS showed higher strength and comparable ductility when compared with wrought 316L SS. Thermal creep testing and microstructural evolution during creep deformation were also performed under selected conditions. It was found that the AM 316L steel showed the best creep resistance in the stress-relieved condition. In-situ tensile tests were performed using scanning electron microscopy and 1-ID beamline at the Advanced Photon Source to elucidate the deformation and fracture behavior of AM 316L and the evolution of crystalline stress, dislocations, and pore distribution. Using these in-situ testing data, an in-depth analysis of the roles of microstructural features in deformation and fracture processes is presented herein. The final section of the document introduces ongoing and future activities for materials testing and characterization, including irradiation effect studies and ball punch testing on AM 316L and AM IN718 alloys.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Bayesian calibration and uncertainty quantification of a rate-dependent cohesive zone model for polymer interfaces

In this work we present a rate-dependent cohesive zone model for the fracture of polymeric interfaces and performs a Bayesian calibration, an uncertainty quantification, and a sensitivity analysis for the model. The proposed cohesive zone model accounts for both reversible elastic and irreversible rate-dependent separation sliding deformation at the interface. The viscous dissipation due to the irreversible opening at the interface is modeled using elastic-viscoplastic kinematics that incorporates the effects of strain rate. Inverse calibration of parameters for such complex models through trial and error is challenging due to the large number of parameters of the model. Moreover, the calibrated parameter values are often non-unique and uncertain when the available experimental data is limited. To tackle this challenge, we employ a Bayesian calibration approach to identify parameters from experimental data, the resulting parameters significantly enhance the accuracy of the model. To quantify the uncertainty associated with the inverse parameter estimation, a modular Bayesian approach is employed to calibrate the unknown model parameters, accounting for the parameter uncertainty of the cohesive zone model. The advantages of the Bayesian calibration over a deterministic parameter fit are demonstrated. Further, to quantify the model uncertainties, such as incorrect assumptions or missing physics, a discrepancy function is introduced, which significantly improves the model’s prediction. Finally, the total uncertainty of the model is quantified in a predictive setting. A sensitivity analysis is performed to assess how changes in the input variables of the model affect the peak load, facilitating the identification of a concise set of highly influential parameters. The present approach can be used for calibration and uncertainty quantification for other complex computational mechanics models. It should also facilitate the designing of interface materials under uncertainty.

42 ENGINEERING↗
DOE OSTI2026

Subsurface mechanical damage of fused silica glass during grinding by various sub-aperture tools with and without ultrasonics

The subsurface mechanical damage (SSD) depth after grinding fused silica glass with a comprehensive set of sub-aperture fixed abrasive grinding tools [cup, wheel, belt, pad, and rotary face mill (with and without ultrasonics)] and process parameters has been statistically measured using the taper wedge technique and evaluated. Consistent with a previously reported grinding model [J. Non-Cryst. Solids 352, 5601–5617 (2006) Crossref , Materials Science and Technology of Optical Fabrication (Wiley & Sons, 2018)], based on the sliding indentation fracture by sliding particles or asperities where the normal load per particle determines the depth of the fracture (and ultimately the overall SSD depth), the dominant factor controlling SSD depth was found to be the abrasive size regardless of the tool type and process conditions. Compared to full aperture grinding methods, the overall SSD depth was higher using the sub-aperture tools, likely due to the higher effective pressure and higher load per particle distribution. Here, in addition to abrasive size, a significant reduction in SSD depth was achieved by: (1) reducing the load distribution on the abrasive particles via increase in contact area and/or decrease in mechanical loading; (2) using a more compliant host tool medium; and (3) in what we believe is a more novel way, using ultrasonics. Combining low abrasive size, larger contact area, and a compliant host, the 6 µm diamond in a resin matrix (Trizact) on a foam pad led to very low SSD depth (~ 4.6 µm), relatively fast grinding rate (186 mm 3 /h), and little or no figure degradation. This grinding tool/process is an attractive choice for final grind, resulting in significantly reduced polish out (i.e., “grey out”) times. With the rotary face mill tool, the use of ultrasonics consistently led to a SSD depth reduction (ranging from 17%–34%). A new fracture mechanics-based model, to the best of our knowledge, where the relevant normal load is parallel to the feed direction, has been developed to explain how ultrasonics leads to lower SSD depth. The key factors, supported by finite element stress analysis and load measurements, are (1) the initiation of fractures at higher z heights during the tool’s ultrasonic vertical oscillations, thus propagating less deep into workpiece; (2) reduction in load (and therefore reduction in fracture propagation distance) due to smaller tool-workpiece feed direction contact area (again caused by higher heights relative to depth of cut); (3) upward movement of the tool during oscillation leads to fracturing toward the surface instead into the depth; and finally (4) at tool’s lowest point of oscillation cycle, there may not be enough time for the fracture to propagate to its full length.

Optics and optical instruments↗
DOE OSTI2019

Deep Direct-Use Feasibility Study Numerical Modeling and Uncertainty Analysis using iTOUGH2 for West Virginia University

To reduce the geothermal exploration risk, a feasibility study is performed for a deep direct-use system proposed at the West Virginia University (WVU) Morgantown campus. This study applies numerical simulations to investigate reservoir impedance and thermal production. Because of the great depth of the geothermal reservoir, few data are available to characterize reservoir features and properties. As a result, the study focuses on the following three aspects: 1. model choice for predicting reservoir impedance and thermal breakthrough: after investigating three potential models (one single permeability model and two dual permeability models) for flow through fractured rock, it is decided to use single permeability model for further analysis; 2. well placement (horizontal vs. vertical) options: horizontal well placement seems to be more robust to heterogeneity and the impedance is more acceptable; 3. Prediction uncertainty: the most influential parameters are identified using a First-Order-Second-Moment uncertainty propagation analysis, and the uncertain range of the model predictions is estimated by performing a Monte Carlo simulation. Heterogeneity has a large impact on the perdition, therefore, is considered in the predictive model and uncertainty analysis. The numerical model results and uncertainty analysis are used for economic analysis. The dataset submitted here support the described study. Manuscript is submitted to Geothermics, will be linked once paper is accepted.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Technological aspects in blanket design: Effects of micro-alloying and thermo-mechanical treatments of EUROFER97 type steels after neutron irradiation

Presently available data on neutron irradiation damage raise doubts on the feasibility of using EUROFER97 steel for a water-cooled starter blanket in a DEMO reactor, since the ductile-to-brittle transition temperature (DBTT) increases significantly for irradiation temperatures below 350°C. The additional DBTT shift caused by H and He transmutation can only be estimated based on very few results with isotopically tailored EUROFER97 steel. Conservative calculations show that the DBTT of EUROFER97 steel could exceed the operating temperature in water-cooled starter blankets within a relatively short time period. This paper presents results from a EUROfusion funded irradiation campaign that was performed in the High Flux Isotope Reactor at Oak Ridge National Laboratory. The paper compares ten newly developed reduced activation ferritic-martensitic (RAFM) steels irradiated to a nominal dose of 2.5 dpa at 300°C. The post-irradiation experiments using Small Specimen Test Technology included hardness, tensile, and fracture mechanics tests combined with fractography and microstructure analysis are presented. Results show that micro-alloying EUROFER97-type steels influenced the mechanical properties but a dominating impact on irradiation damage resistance could not be identified. In contrast, specific thermo-mechanical treatments lead to better DBTT behavior. Discussion about irradiation response to heat treatment conditions is also given. Here, despite requiring data also at high dpa values, the results indicate that with these modified materials an increased lifetime and potentially also an increased operating temperature window can be achieved compared to EUROFER97.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Parametric analysis of anodic degradation mechanisms for fast charging lithium batteries with graphite anode

In this work, we report the impact of the temperature-driven synergistically-coupled anodic degradation mechanisms on the electrochemical performance of lithium batteries with graphite anode over multiple cycles. Temperature dependence of electrochemical reactions and damage mechanisms, such as solid electrolyte interface (SEI) growth, lithium plating/stripping, dead lithium storage/dissolution, and film cracking are incorporated into the degradation model. Results of a parametric analysis are presented, evaluating the effects of charging rates (1–6 C), operating temperatures (-15 – 45°C) and electrode design parameters, on the relative performance fade in the lithium-ion battery. Thermo-electrochemical process maps are developed to provide insights into the relationship between electrode performance and failure mechanisms. The simulation results predict a severe capacity loss due to lithium plating at low temperatures, which is further aggravated at high charging rates. A common strategy for mitigating lithium plating, through charging at high temperatures, also results in rapid capacity loss due to accelerated SEI formation. Simulation results are used to identify the combination of operating conditions and electrode design parameters that improve the electrochemical performance of the battery. These results demonstrate an opportunity to design safe and high-performance lithium-ion batteries, guided by anodic degradation models.

Battery design↗
DOE OSTI2020

Measurement of crack length in width tapered beam experiments

The width tapered beam method for measuring fracture toughness has been contemplated for use in measuring the adhesion of photovoltaic materials, is promoted by it being a viable method for use directly on modules rather than to engineered test specimens. However, precise determination of crack length is often difficult as failure often involves tendril formation, cavitation voids, and other plastic deformation at the crack front in addition to obfuscation by opaque materials. Because fracture energy varies as the square of crack length, imprecise crack tip length results in large measurement uncertainties. In this work, we develop a method to estimate the crack tip length using the relationship between the applied force and the displacement of the load frame. The crack tip is determined for every data point and can be defined from a calibration curve related to the amount of energy put into the beam, or from a theoretically idealized estimation. Once a calibration curve is set up and the equations programmed, the fracture energy as a function of position on the newly formed crack interface can be accurately estimated. The test additionally provides much easier analysis and insight into the joint failure through more precise knowledge of fracture toughness at each de-bonded area.

42 ENGINEERING↗
DOE OSTI2021

Influence of neutron irradiation on Al-6061 alloy produced via ultrasonic additive manufacturing

Samples of aluminum alloy 6061 produced via ultrasonic additive manufacturing (UAM) were irradiated in the High Flux Isotope Reactor (HFIR) up to 17.3 dpa at ~70°C while in contact with water using perforated rabbit capsules. The irradiation campaign included as-received (AR) material, specimens subjected to various post-weld heat treatments (PWHTs, including hot isostatic pressing [HIP]), and reference (wrought) alloy samples. Mechanical tensile tests, accompanied by digital image correlation (DIC) analysis, fractography, and metallography, were performed as a part of the post-irradiation evaluation. The X- and Y-specimens (i.e., oriented in the sonotrode moving and vibration directions, respectively) showed pronounced radiation hardening and ductility decrease. Specific serration flow behavior and propagation of deformation bands were observed under various material conditions up to 3.5 dpa but disappeared at 17.3 dpa. In all cases, the fracture mechanism of X- and Y-specimens was ductile; ductile dimples dominated the fracture surface. Irradiated X- and Y-specimens showed good performance, regardless of material conditions (AR or PWHT). The performance of Z-specimens oriented in the build direction was strongly dependent on the PWHT. The AR and aged specimens showed fracture stress decrease with dose, and they experienced fracture under irradiation after 3.5 dpa; specimen cross section analysis revealed specific interface degradation that was likely related to corrosion. Recrystallization significantly improved in-reactor performance. Finally, HIP suppressed interface degradation due to recrystallization and pore removal, which led to good in-reactor performance for Z-specimens.

36 MATERIALS SCIENCE↗
DOE OSTI2024

An intrinsic ductility parameter derived from anisotropic linear elasticity theory

A new indicator of intrinsic ductility (κ) is introduced based on linear elasticity. In the limit of elastic isotropy this parameter is equal to the Pugh ratio ( B / G ) plus a constant; but unlike the Pugh ratio, κ incorporates anisotropy and crystallography to improve predictive value. We identify a single ductile-to-brittle transition setpoint for κ that predicts crack-tip plasticity in atomistic simulations, experimental elongation to failure of polycrystalline elemental metals pulled in tension, and fracture energy measurements of glasses, suggesting commonality in the relationship between plasticity and fracture across all three of these cases. Statistical analysis supports the superiority of κ over B / G at predicting crack-tip plasticity in atomistic simulations and elongation to failure of polycrystalline elemental metals.

Winter, Ian S.↗
DOE OSTI2023

pySimFrac

pySimFrac is a python library for generating 3D synthetic fracture realizations, integrating with fluid simulators, and performing analysis.

Guiltinan, Eric↗
DOE OSTI2026

Impact of Molten Gallium on the Microstructure and Corrosion Behavior of Aluminum and Uranium-Aluminum Alloys for Used Nuclear Fuel Reprocessing

Test reactors around the world utilize highly enriched uranium fuel to achieve high neutron fluxes for materials testing. Once spent, the remaining uranium is a valuable resource for subsequent fuel fabrication. However, some of these test reactor cores consist of curved plate-type fuel elements, fabricated using aluminum alloy 6061 (AA6061) cladding to encapsulate a uranium-aluminum alloy (UAlx) fuel matrix. These assemblies require non-standard reprocessing approaches for uranium recovery, as aluminum dissolves readily in acidic solutions, generating large volumes of waste and complicating downstream chemical separations. In this work, we investigate a novel chemical decladding strategy based on the interaction between AA6061/UAlx and molten gallium (Ga). Ga is known to induce severe degradation of aluminum metal through liquid metal embrittlement (LME), even at relatively low Ga concentrations. By penetrating the aluminum crystal lattice, Ga disrupts grain cohesion and facilitates fracture or dissolution of the aluminum matrix. Thermodynamic analysis of the Al–Ga binary phase diagram suggests that Ga may offer a viable pathway to selectively weaken or dissolve the AA6061 cladding, and potentially the aluminum component of the UAlx fuel matrix within. To this end, parametric experiments were performed at 50 °C and 100 °C across a range of Al–Ga atomic fractions. At lower Al fractions, the AA6061 was completely molten after 2 hours of exposure to the Ga metal. In contrast, samples with higher Al fractions (0.9 Al, 0.1 Ga) contained residual solids after 2 hours, which were characterized by microstructural examination using electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM). These Al-Ga compositions were also evaluated using FactSage thermodynamic modeling to further elucidate the relationship between phase diagram behavior and LME.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Quarterly Research Performance Progress Report (Q8)

As part of Task 1, we have started by testing our modeling capabilities by reproducing isothermal DFIT simulations presented in the literature. Once satisfied with the results we have started by targeting the modeling of the DFITs at conducted at well 58-32. We have a identified a specific test (cycle 4 in zone 2) as the most interesting to be model with GEOS hydraulic fracturing module. Thus, we have first produced results with an isothermal model and adjusted model parameters to get a satisfying match with field pressure data. The, we have added thermal effects and compared the modeling results with and without thermal effects to estimate how thermal effects may influence test interpretation. Models seem to suggest that, for small volumes of fluid, thermal effects are moderate. In Task 2, we have adapted GEOS phase-field formulation to be able to simulate near-wellbore hydraulic fracture nucleation and propagation. We have devised a novel formulation that, compared to other existing ones, incorporates rock strengths. We have submitted a journal publication about our work. We are currently employing this phase-field formulation to model the experiments taking place at U Pitt and help us understand the effect of various parameters. In Task 3, we have built a model of the region surround well 16A and have started modeling stage 3 stimulation because of its simpler planar geometry. After calibrating simulation parameters using known analytical solutions, we have simulated the stage 3 stimulation using our isothermal hydraulic fracturing module, varying the permeability field, the stress conditions including different physics to get a better understanding of the numerical challenges and of the effects of varying these parameters on the simulation results. In Task 4 laboratory experimentation, a set of specialized drilling and injection tools has been customized and constructed to accommodate an inclined well with an orientation of up to 30 degrees relative to material anisotropy or principal stress axes. These inclined samples have also undergone thermal stress and hydraulic fracturing at a temperature of 190 degrees Celsius. Furthermore, both vertical and deviated sampling testing setups enable an extended analysis of post-peak pressure behaviors, facilitating post-test pressure analyses such as the G-function, step rate, and fracture reopening measurements. Thus, the key components of in-situ stress estimation can be extracted and validated through our experiment, providing a solid foundation for validating existing in-situ stress estimation theories or proposing new ones. Simultaneously, we are integrating computer vision techniques with traditional experimental fracture observation methods such as multi-overcore/slicing and water-penetration fracture observation. This combination will prove beneficial in populating the hydraulic fracture patterns database, generated under challenging EGS conditions. This approach aims to deepen our understanding of the complexities in EGS reservoirs and pave the way for future data-driven investigations. Additionally, PITT has also equipped the ELE International compression machine, which is now prepared for conducting indirect tensile and fracture toughness tests. These tests will aid in characterizing how rock fabrics influence the resulting fracture patterns. Additionally, we have completed the required personnel training and gained access to Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) for conducting more detailed characterization and analysis of rock fabrics, as well as the examination of thermal and hydraulically induced fracture patterns. Thus, the PITT team has effectively demonstrated the capabilities of our experimental apparatuses in exploring the thermal effects, well deviation angles, material anisotropy, and operational choices (such as circulation rate, injection fluid viscosity, and injection rate) and their impact on pressure responses and fracture trajectories under the Utah FORGE conditions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Role of Mineralogy in Controlling Fracture Formation

The presence of fractures in caprocks can pose increased risks in subsurface energy systems and processes like CO 2 sequestration by introducing high-permeability leakage paths. Fracture apertures and permeability can be altered through mineral dissolution and precipitation reactions, but the reactive evolution of fractures is not well understood. In fractures, minerals that are otherwise inaccessible to reactive fluids can become exposed, resulting in mineral reactions unpredicted by bulk formation data. This work seeks to understand the relationship between mineralogy and fracture formation to enhance our understanding of reactive fracture evolution and CO 2 leakage potential. Here, the mineral compositions of mechanically induced fracture surfaces in samples of the Mancos and Marcellus shales have been quantified and compared to those of the near-fracture matrices using imaging and bulk X-ray diffraction (XRD) data. In the Mancos shale, the concentrations of clay minerals are enhanced along fracture surfaces with respect to the bulk, and the fracture is most likely to form at kaolinite–kaolinite interfaces. Further, evaluation of the mineralogical spatial variability through cross-correlation analysis of the surrounding matrix in images of samples cut perpendicular to the fracture shows that clay is 16.7 times more likely to be present than carbonate minerals near the fracture surface. The high correlation persists roughly 200 μm into the surrounding matrix for the Mancos sample and implies that the fracture formed within a defined clay-rich lithofacies.

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

The Microbial Community and Functional Potential in the Midland Basin Reveal a Community Dominated by Both Thiosulfate and Sulfate-Reducing Microorganisms

The Permian Basin is the highest producing oil and gas reservoir in the United States. Hydrocarbon resources in this region are often accessed by unconventional extraction methods, including horizontal drilling and hydraulic fracturing. Despite the importance of the Permian Basin, there is no publicly available microbiological data from this region. We completed an analysis of Permian produced water samples to understand the dynamics present in hydraulically fractured wells in this region. We analyzed produced water samples taken from 10 wells in the Permian region of the Midland Basin using geochemical measurements, 16S rRNA gene sequencing, and metagenomic sequencing. Compared to other regions, we found that Permian Basin produced water was characterized by higher sulfate and lower total dissolved solids (TDS) concentrations, with a median of 1,110 mg/L and 107,000 mg/L. Additionally, geochemical measurements revealed the presence of frac hits, or interwell communication events where an established well is affected by the pumping of fracturing fluid into a new well. The occurrence of frac hits was supported by correlations between the microbiome and the geochemical parameters. Our 16S rRNA gene sequencing identified a produced water microbiome characterized by anaerobic, halophilic, and sulfur reducing taxa. Interestingly, sulfate and thiosulfate reducing taxa including Halanaerobium, Orenia, Marinobacter, and Desulfohalobium were the most prevalent microbiota in most wells. We further investigated the metabolic potential of microorganisms in the Permian Basin with metagenomic sequencing. We recovered 15 metagenome assembled genomes (MAGs) from seven different samples representing 6 unique well sites. These MAGs corroborated the high presence of sulfate and thiosulfate reducing genes across all wells, especially from key taxa including Halanaerobium and Orenia. The observed microbiome composition and metabolic capabilities in conjunction with the high sulfate concentrations demonstrate a high potential for hydrogen sulfide production in the Permian Basin. Additionally, evidence of frac hits suggests the possibility for the exchange of microbial cells and/or genetic information between wells. This exchange would increase the likelihood of hydrogen sulfide production and has implications for the oil and gas industry.

16S RNA↗