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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

In-situ Characterizations of Microstructural Degradation of Perovskite Solar Cells

Rapid progress has been achieved in perovskite solar cells (PSCs), and their efficiencies have improved from 3.8 % to 24.2 % in less than a decade. With low-cost processing, PSCs have shown exciting photovoltaic (PV) properties, such as effective optical absorption, a long carrier lifetime, and unique defect tolerance. While recent studies demonstrated improved stability up to 100 days, PSC technology is still challenged to meet the stringent industry requirements for commercialization. Despite considerable efforts, the underlying physical mechanisms for the inferior stability of PSCs are not well understood. One reason for this divergence is that many established measurement techniques (e.g., quantum efficiency, photoluminescence) probe the properties on length scales far greater than that of electronic and/or structural inhomogeneity (i.e., < 1 μm near grain boundaries) and therefore characterize convoluted and/or averaged properties. Ion/electron beam-based techniques have been extensively used to access the microstructures of PSCs, enabling atomic/nanoscale structural, chemical, optical, and electrical characterizations. For example, focused ion beam (FIB) milling produces an atomically smooth surface that minimizes the artifacts attributed to the surface roughness. FIB techniques can also create a well-defined cross-section of PSCs without mechanical damage in a physical cleaving sample preparation. While powerful, there are some concerns about possible beam damage of inorganic-organic perovskites via chemical-bond breakage and local heating. This project aims to comprehensively understand how the microstructural/interfacial properties of PSCs (e.g., Methylammonium Lead Iodide [MAPbI 3 ]) are modified under the irradiating ion beams. Specifically, we investigate the sub-surface properties of PSCs before and after Ar-ion beam injections. Kelvin probe force microscopy (KPFM) measures the contact potential differences (CPDs). Photoluminescence (PL) microscopy in conjunction with Finite-Difference Time-Domain (FDTD) simulations infers the formation of a “dead layer” (< 15 nm) on the subsurface of MAPbI 3 during Ar+ milling processes while preserving the initial bulk properties. The x-ray photoemission spectroscopy (XPS) confirms this modified surface is a lead-rich and iodine-deficient surface. We initiate customizing in-situ measurement setup while measuring the local optical and electrical properties of PSC under thermal (cooling, heating) and light stressors. Our results provide in-depth knowledge of the ion-beam impact on metal-halide perovskites and how this modified sub-surface impacts their properties under accelerated stressors of light and heat. Intensive Monte Carlo simulations of an electron beam interacting with PSCs provide the beam energy distribution in PSCs, proposing possible measurement conditions of using e-beam with minimizing beam damage. Our in-situ measurement platform can accommodate the diverse architecture of PSC devices for studying deterioration mechanisms under mixed environmental stressors.

14 SOLAR ENERGY↗
DOE OSTI2025

Corrosion of 316 L stainless steel under the natural circulation of molten NaCl-MgCl 2 salt

The corrosion behavior of 316 L stainless steel (SS) was studied via the natural circulation of molten eutectic NaCl-MgCl 2 salt through a microloop. The post-corrosion tested 316 L SS microloop sections were characterized with microscopy techniques to determine the microstructural and microchemical changes that occurred at the alloy/salt interface. It was found that 316 L SS showed heterogeneous dissolution at the hot-leg, whereas deposition of corrosion products occurred at the cold-leg. For the first time, experimentally obtained molten salt flow-induced corrosion of 316 L SS results were combined with computational thermodynamic-kinetic models to validate the dissolution and deposition in terms of elemental compositional changes at the alloy/salt interface. The thermodynamic-kinetic modeling predicted that the heterogeneous dissolution of Cr and Fe from the hot-leg section of 316 L SS persisted throughout the salt circulation. The model also estimated that, despite Cr deposition starting earlier than Fe, the total redeposition of Fe is expected to be significantly greater than that of Cr over the circulation of salt. Furthermore, the modeling accurately predicted the subsurface enrichment of Mo which is attributed to the reduced Cr activity and the relatively higher diffusion rate of Mo within the alloy matrix. Here, the agreement between modeling and experimental results confirms that Fe chlorides dissolve at the hot-leg and subsequently deposit at the cold-leg due to activity changes driven by the thermal gradient. By contrast, Cr was not detected in the cold-leg deposits, which is attributed to its weaker temperature dependence on activity, limiting its redeposition under these conditions.

36 - MATERIALS SCIENCE↗
NASA NTRS2004

The Diversity of Martian Volcanic Features as Seen in MOC Images and MOLA Topographic Data

This project focused on the evolution of the summit areas of Martian volcanoes. By using data collected from the Mars Orbiter Camera (MOC) and Mars Laser Altimeter (MOLA) instruments, we tried to better understand the diversity of constructional volcanism on Mars, and hence further understand eruption processes. We investigated the styles of volcanism on the major volcanic constructs (Olympus, Arsia, Pavonis, and Ascraeus Montes), and also studied the role of magma-volatile interactions within the shallow subsurface of these volcanoes and the surrounding areas. Theoretical models for internal processes within volcanoes, including the thermal influences of dike intrusions on pre-existing volatiles, were developed based on our identification of landform distributions. Our work provided new insights into the diversity of volcanism on Mars, and the distribution of Martian volatiles in space and time. Highlights of our results include: 1) The identification of large ash deposits at the summit of Arsia Mons; 2) The study of a large flank eruption on Elysium Mons and the estimation of the effusion rate needed to produce the observed lava channel; 3) The quantitative description of dike intrusion into volatile-rich terrain to explain the origin of Hrad Vallis; 4) The identification of constructional ridges on top of very young lava flows from Olympus Mons, with the interpretation that these ridges were formed by very recent phreatomagmatic eruptions; and 5) The characterization of the dimensions and slope distributions on 18 volcanic edifices on Mars.

Mouginis-Mark, Peter J.↗
DOE OSTI2021

New experimental approach to understanding the chemical reactivity of oxide surfaces

Metal oxides have been an attractive option for a range of applications, including hydrogen sensors, microelectronics, and catalysis, due to their reactivity and tunability. The properties of metal oxides can vary greatly on their precise surface structure; however, few surface science techniques can achieve atomistic-level determinations of surface structure, and fewer yet can do so for insulator surfaces. Low energy ion beam analysis offers a potential insulator-compatible solution to characterizing the surface structure of metal oxides. As a feasibility study, we apply low energy ion beam analysis to investigate the surface structure of a magnetite single crystal, Fe 3 O 4 (100). We obtain multi-angle maps using both forward-scattering low energy ion scattering (LEIS) and backscattering impact-collision ion scattering spectroscopy (ICISS). Both sets of experimental maps have intensity patterns that reflect the symmetries of the Fe 3 O 4 (100) surface structure. However, analytical interpretation of these intensity patterns to extract details of the surface structure is significantly more complex than previous LEIS and ICISS structural studies of one-component metal crystals, which had far more symmetries to exploit. To gain further insight into the surface structure, we model our experimental measurements with ion-trajectory tracing simulations using molecular dynamics. Our simulations provide a qualitative indication that our experimental measurements agree better with a subsurface cation vacancy model than a distorted bulk model.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Geothermally Coupled Well-Based Compressed Air Energy Storage

Previous work by McGrail et al. (2013, 2015) has evaluated the possibility of pairing compressed air energy storage with geothermal resources in lieu of a fossil-fired power generation component, and suggests that such applications may be cost competitive where geology is favorable to siting both the geothermal and CAES components of such a system. Those studies also note that the collocation of subsurface resources that meet both sets of requirements are difficult to find in areas that also offer infrastructure and near- to mid-term market demand for energy storage. This study examines a novel application for the compressed air storage portion of the project by evaluating the potential to store compressed air in disused wells by amending well casings to serve as subsurface pressure vessels. Because the wells themselves would function in lieu of a geologic storage reservoir for the CAES element of the project, siting could focus on locations with suitable geothermal resources, as long as there was also existing wellfield infrastructure that could be repurposed for air storage. Existing wellfields abound in the United States, and with current low energy prices, many recently productive fields are now shut in. Should energy prices remain stagnant, these idle fields will be prime candidates for decommissioning unless they can be transitioned to other uses, such as redevelopment for energy storage. In addition to the nation’s ubiquitous oil and gas fields, geothermal fields, because of their phased production lifetimes, also may offer many abandoned wellbores that could be used for other purposes, often near currently productive geothermal resources. These existing fields offer an opportunity to decrease exploration and development uncertainty by leveraging data developed during prior field characterization, drilling, and production. They may also offer lower-cost deployment options for hybrid geothermal systems via redevelopment of existing well-field infrastructure. This project assessed the technical and economic feasibility of implementing geothermally coupled well-based CAES for grid-scale energy storage. Based on an evaluation of design specifications for a range of casing grades common in U.S. oil and gas fields, a 5-MW CAES project could be supported by twenty to twenty-five 5,000-foot, 7-inch wells using lower-grade casing, and as few as eight such wells for higher-end casing grades. Using this information, along with data on geothermal resources, well density, and potential future markets for energy storage systems, The Geysers geothermal field was selected to parameterize a case study to evaluate the potential match between the proven geothermal resource present at The Geysers and the field’s existing well infrastructure. Based on calculated wellbore compressed air mass, the study shows that a single average geothermal production well could provide enough geothermal energy to support a 15.4-MW (gross) power generation facility using 34 to 35 geothermal wells repurposed for compressed air storage, resulting in a simplified levelized cost of electricity (sLCOE) estimated at 11.2 ¢/kWh (Table S.1). Accounting for the power loss to the geothermal power project associated with diverting geothermal resources for air heating results in a net 2-MW decrease in generation capacity, increasing the CAES project’s sLCOE by 1.8 ¢/kWh.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Geothermally Coupled Well-Based Compressed Air Energy Storage

Previous work by McGrail et al. (2013, 2015) has evaluated the possibility of pairing compressed air energy storage with geothermal resources in lieu of a fossil-fired power generation component, and suggests that such applications may be cost competitive where geology is favorable to siting both the geothermal and CAES components of such a system. Those studies also note that the collocation of subsurface resources that meet both sets of requirements are difficult to find in areas that also offer infrastructure and near- to mid-term market demand for energy storage. This study examines a novel application for the compressed air storage portion of the project by evaluating the potential to store compressed air in disused wells by amending well casings to serve as subsurface pressure vessels. Because the wells themselves would function in lieu of a geologic storage reservoir for the CAES element of the project, siting could focus on locations with suitable geothermal resources, as long as there was also existing wellfield infrastructure that could be repurposed for air storage. Existing wellfields abound in the United States, and with current low energy prices, many recently productive fields are now shut in. Should energy prices remain stagnant, these idle fields will be prime candidates for decommissioning unless they can be transitioned to other uses, such as redevelopment for energy storage. In addition to the nation’s ubiquitous oil and gas fields, geothermal fields, because of their phased production lifetimes, also may offer many abandoned wellbores that could be used for other purposes, often near currently productive geothermal resources. These existing fields offer an opportunity to decrease exploration and development uncertainty by leveraging data developed during prior field characterization, drilling, and production. They may also offer lower-cost deployment options for hybrid geothermal systems via redevelopment of existing well-field infrastructure. This project assessed the technical and economic feasibility of implementing geothermally coupled well-based CAES for grid-scale energy storage. Based on an evaluation of design specifications for a range of casing grades common in U.S. oil and gas fields, a 5-MW CAES project could be supported by twenty to twenty-five 5,000-foot, 7-inch wells using lower-grade casing, and as few as eight such wells for higher-end casing grades. Using this information, along with data on geothermal resources, well density, and potential future markets for energy storage systems, The Geysers geothermal field was selected to parameterize a case study to evaluate the potential match between the proven geothermal resource present at The Geysers and the field’s existing well infrastructure. Based on calculated wellbore compressed air mass, the study shows that a single average geothermal production well could provide enough geothermal energy to support a 15.4-MW (gross) power generation facility using 34 to 35 geothermal wells repurposed for compressed air storage, resulting in a simplified levelized cost of electricity (sLCOE) estimated at 11.2 ¢/kWh (Table S.1). Accounting for the power loss to the geothermal power project associated with diverting geothermal resources for air heating results in a net 2-MW decrease in generation capacity, increasing the CAES project’s sLCOE by 1.8 ¢/kWh.

25 ENERGY STORAGE↗
NASA NTRS2007

An Overview of the Mars Reconnaissance Orbiter (MRO) Science Mission

The Mars Reconnaissance Orbiter (MRO) is the latest addition to the suite of missions on or orbiting Mars as part of the NASA Mars Exploration Program. Launched on 12 August 2005, the orbiter successfully entered Mars orbit on 10 March 2006 and finished aerobraking on 30 August 2006. Now in its near-polar, near-circular, low-altitude (approximately 300 km), 3 p.m. orbit, the spacecraft is operating its payload of six scientific instruments throughout a one-Mars-year Primary Science Phase (PSP) of global mapping, regional survey, and targeted observations. Eight scientific investigations were chosen for MRO, two of which use either the spacecraft accelerometers or tracking of the spacecraft telecom signal to acquire data needed for analysis. Six instruments, including three imaging systems, a visible-near infrared spectrometer, a shallow-probing subsurface radar, and a thermal-infrared profiler, were selected to complement and extend the capabilities of current working spacecraft at Mars. Whether observing the atmosphere, surface, or subsurface, the MRO instruments are designed to achieve significantly higher resolution while maintaining coverage comparable to the current best observations. The requirements to return higher-resolution data, to target routinely from a low-altitude orbit, and to operate a complex suite of instruments were major challenges successfully met in the design and build of the spacecraft, as well as by the mission design. Calibration activities during the seven-month cruise to Mars and limited payload operations during a three-day checkout prior to the start of aerobraking demonstrated, where possible, that the spacecraft and payload still had the functions critical to the science mission. Two critical events, the deployment of the SHARAD radar antenna and the opening of the CRISM telescope cover, were successfully accomplished in September 2006. Normal data collection began 7 November 2006 after solar conjunction. As part of its science mission, MRO will also aid identification and characterization of the most promising sites for future landed missions, both in terms of safety and in terms of the scientific potential for future discovery. Ultimately, MRO data will advance our understanding of how Mars has evolved and by which processes that change occurs, all within a framework of identifying the presence, extent, and role of water in shaping the planet s climate over time.

astronomical instruments↗
DOE OSTI2018

International Implementation of IAEA's Borehole Disposal Concept for Sealed Radioactive Sources - 18545

With funding from the Government of Canada, and support from the U.S. Nuclear Regulatory Commission's (NRC's) Office of International Program and many others, the International Atomic Energy Agency (IAEA) is supporting the field deployment of the Borehole Disposal Concept (BDC) for secure disposal of radioactive sources in Ghana, the Philippines and Malaysia. This is a first-of-its-kind implementation. Though small in volume, disused sealed radioactive sources can be intensively radioactive and create a significant safety and security liability for the majority of the 168 Member States in the IAEA. Millions of sealed radioactive sources have been manufactured since 1901, and it is estimated that hundreds of thousands are now unwanted. The irony is that some of the countries with the smallest inventories have the greatest difficulties managing their radioactive wastes. The BDC was originally conceptualized in an IAEA-study undertaken by the South African Nuclear Energy Corporation (NECSA) for countries with small inventories of disused sealed radioactive sources. There are multiple, passive engineered and natural barriers in the BDC design, including an inner stainless-steel capsule (which holds the wastes), an inner cement containment barrier, an outer stainless steel container and outer backfill cement, as well as the surrounding geosphere. In common subsurface geochemical environments, these barriers will isolate the wastes from the biosphere, provide effective containment and ensure long-term safety. To greatly limit the likelihood of inadvertent human intrusion (safety), and deliberate human intrusion (security), these waste packages will be disposed of in a narrow diameter borehole (26 cm) at depths greater than 30 m. This type of borehole disposal creates an exceptionally small footprint, removes the wastes from normal human surficial activities, and isolates the waste packages from near-surface processes. Over the past 20 years, the IAEA, NECSA and many others have advanced the BDC on the shoulders of the IAEA's broader work supporting safe and secure disposal of radioactive wastes and management of sealed radioactive sources. With recent funding and support from many others, the IAEA has assisted Ghana, Malaysia and the Philippines in assessing their inventories and conditioning their disused sealed radioactive sources, in drilling investigation boreholes and characterizing their proposed sites, and in designing their disposal systems. These countries plan to place the uppermost waste package at depths greater than 100 m. While activities in the Philippines remain focused on-site characterization, Ghana is in the latter stages of developing their Safety Case for operational and 'post-closure' safety and Malaysia has completed their Safety Case and submitted a license application to construct and operate a BDC facility. Though this paper identifies the support provided to Member States by the IAEA, it is the Ghana Atomic Energy Commission and the Malaysian Nuclear Agency that are responsible for the safety and security of the disposals and that have been responsible for carrying-out their disposal programs. Once the BDC is licensed by the relevant national regulatory bodies, these first-of-a-kind disposal approaches will provide a template for other countries to safely dispose of their disused sealed radioactive sources - permanently eliminating their safety and security liabilities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Changes in the Stress–Strain States of Subsurface Layers of Steel During Loading

As a result of investigations of compressive deformation of steel specimens using a Vic-3D optical system it is found out that the regions of local deformations along two mutually perpendicular directions possess different character near the butt ends of the specimen in compression. It is underlined that the values of strains along these directions are also different. In the central part of the specimen, an oval region is formed with varied patterns of microstrain distribution. The transition from the stage of elastic strain (Region I in the stress–strain curve σ = f(ɛ)) to plastic deformation is accompanied by a transition from the chaotic diversified distribution of the spatial structural elements into long bands with a characteristic distribution pattern on the specimen surface: along the macrobands of plastic deformation from the corners and side faces of the specimen towards its center. Starting from Stage 1 and to the middle of Stage IV, the key role in the strain evolution on the surface belongs to the macrobands of localized plastic flow. At the end of Stage IV, the macrobands of plastic flow degenerate. A special focus is made on the fact that the transition from one stage to the other results in the changes of the strain field distributions on the specimen surface and is characterized by a different value of the strain hardening coefficient.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Mapping Permafrost Variability and Degradation Using Seismic Surface Waves, Electrical Resistivity, and Temperature Sensing: A Case Study in Arctic Alaska

Subsurface processes significantly influence surface dynamics in permafrost regions, necessitating utilizing diverse geophysical methods to reliably constrain permafrost characteristics. This research uses multiple geophysical techniques to explore the spatial variability of permafrost in undisturbed tundra and its degradation in disturbed tundra in Utqiagvik, Alaska. Here, we integrate multiple quantitative techniques, including multichannel analysis of surface waves (MASW), electrical resistivity tomography (ERT), and ground temperature sensing, to study heterogeneity in permafrost’s geophysical characteristics. MASW results reveal active layer shear wave velocities (V s ) between 240 and 370 m/s, and permafrost V s between 450 and 1,700 m/s, typically showing a low-high-low velocity pattern. Additionally, we find an inverse relationship between in situ V s and ground temperature measurements. The V s profiles along with electrical resistivity profiles reveal cryostructures such as cryopeg and ice-rich zones in the permafrost layer. The integrated results of MASW and ERT provide valuable information for characterizing permafrost heterogeneity and cryostructure. Corroboration of these geophysical observations with permafrost core samples’ stratigraphies and salinity measurements further validates these findings. This combination of geophysical and temperature sensing methods along with permafrost core sampling confirms a robust approach for assessing permafrost’s spatial variability in coastal environments. Our results also indicate that civil infrastructure systems such as gravel roads and pile foundations affect permafrost by thickening the active layer, lowering the V s , and reducing heterogeneity. We show how the resulting V s profiles can be used to estimate key parameters for designing buildings in permafrost regions and maintaining existing infrastructure in polar regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Anodic processes in the chemical and electrochemical etching of Si crystals in acid-fluoride solutions: Pore formation mechanism

The interaction of heavily doped p- and n-type Si crystals with hydrofluoric acid in the dark with and without contact with metals having greatly differing work functions (Ag and Pd) is studied. The dependences of the dissolution rates of Si crystals in HF solutions that contain oxidizing agents with different redox potentials (FeCl{sub 3}, V{sub 2}O{sub 5} and CrO{sub 3}) on the type and level of silicon doping are determined. Analysis of the experimental data suggests that valence-band holes in silicon are not directly involved in the anodic reactions of silicon oxidation and dissolution and their generation in crystals does not limit the rate of these processes. It is also shown that the character and rate of the chemical process leading to silicon dissolution in HF-containing electrolytes are determined by the interfacial potential attained at the semiconductor–electrolyte interface. The mechanism of electrochemical pore formation in silicon crystals is discussed in terms of selfconsistent cooperative reactions of nucleophilic substitution between chemisorbed fluorine anions and coordination- saturated silicon atoms in the crystal subsurface layer. A specific feature of these reactions for silicon crystals is that vacant nonbonding d{sup 2}sp{sup 3} orbitals of Si atoms, associated with sixfold degenerate states corresponding to the Δ valley of the conduction band, are involved in the formation of intermediate complexes. According to the suggested model, the pore-formation process spontaneously develops in local regions of the interface under the action of the interfacial potential in the adsorption layer and occurs as a result of the detachment of (SiF{sub 2}){sub n} polymer chains from the crystal. Just this process leads to the preferential propagation of pores along the <100> crystallographic directions. The thermodynamic aspects of pore nucleation and the effect of the potential drop across the interface, conduction type, and free-carrier concentration in the crystal on the pore size and structure are discussed. The concepts developed in the study can consistently account for experimental facts characterizing the etching of silicon crystals with various electrical parameters under various conditions providing the anodic polarization of crystals in HF-containing solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Pressurized Gas-Driven Elemental Redistribution Enables Ultrastable PtNi Catalysts for Heavy-Duty Vehicles

Gas-driven element redistribution, characterized by the preferential enrichment of one element at the surface relative to the bulk, is frequently observed in multicomponent alloys. Using L1 0 -ordered PtNi as a model system, we reveal that gas pressure plays a critical role in governing adsorption-driven surface composition during annealing in reducing gases: low pressure favors Pt surface segregation, while high pressure facilitates Ni surface enrichment. In this study, we developed a high-pressure nitriding (HPN) strategy that modulates the surface structure and composition of PtNi catalysts. The resulting HPN-PtNi exhibits enhanced performance and durability in membrane electrode assemblies for heavy-duty fuel cell applications, maintaining a high current density of 1.19 A cm −2 at 0.7 V after 90,000 voltage cycles. Through a combination of experimental and theoretical analyses, we reveal that the HPN process forms additional stabilizing Ni−N bonds and induces elemental redistribution with Ni surface enrichment and a Ni-deficient Pt subsurface. These modifications alter the atomic coordination environment of the ordered PtNi phase. This work presents a generalizable strategy to design robust and high-performing Pt-based catalysts by controlling gas-pressure-driven elemental redistribution and dopant incorporation.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

Precipitation of calcium carbonate and calcium phosphate under diffusion controlled mixing

Multi-component mineral precipitation in porous, subsurface environments is challenging to simulate or engineer when in situ reactant mixing is controlled by diffusion. In contrast to well-mixed systems, the conditions that favor mineral precipitation in porous media are distributed along chemical gradients, which evolve spatially due to concurrent mineral precipitation and modification of solute transport in the media. The resulting physical and chemical characteristics of a mixing/precipitation zone are a consequence of coupling between transport and chemical processes, and the distinctive properties of individual chemical systems. We examined the spatial distribution of precipitates formed in “double diffusion” columns for two chemical systems, calcium carbonate and calcium phosphate. Polyacrylamide hydrogel was used as a low permeability, high porosity medium to maximize diffusive mixing and minimize pressure- and density-driven flow between reactant solutions. In the calcium phosphate system, multiple, visually dense and narrow bands of precipitates were observed that were reminiscent of previously reported Liesegang patterns. In the calcium carbonate system, wider precipitation zones characterized by more sparse distributions of precipitates and a more open channel structure were observed. In both cases, formation of precipitates inhibited, but did not necessarily eliminate, continued transport and mixing of the reactants. A reactive transport model with fully implicit coupling between diffusion, chemical speciation and precipitation kinetics, but where explicit details of nucleation processes were neglected, was able to qualitatively simulate properties of the precipitation zones. The results help to illustrate how changes in the physical properties of a precipitation zone depend on coupling between diffusion-controlled reactant mixing and chemistry-specific details of precipitation kinetics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Analysis of Microseismicity and Reactivated Fault Size to Assess the Potential for Felt Events by CO 2 Injection in the Illinois Basin

The results of monitoring of carbon dioxide (CO 2 ) injection at the Illinois Basin—Decatur Project (IBDP) and the companion Illinois Industrial Carbon Capture and Sequestration Sources (IL-ICCS) project—have shown that reservoir response to fluid pressure changes can vary significantly at different injection locations within the same reservoir. Predrill reservoir characterization is important to identify potentially seismogenic faults. However, interpretations of newly reprocessed 3D seismic reflection data illustrate the challenges related to their identification in a region dominated by faulting with small vertical offsets. Faults interpreted in the 3D seismic volume range from ~300 to 1200 m wide and are in the same size range as faults that could have been the source of historical events up to Mw 2.7 in central Illinois. The array of monitoring sensors that was installed for the IBDP continues to collect data, as injection operates in IL-ICCS, the second injection well. CO 2 injection rates for the IL-ICCS well are on average 1.7 times the rates injected in the IBDP well, but a significantly reduced rate of induced seismicity is observed. This article presents results of passive seismic monitoring for the duration of the project to date, integrating active and passive seismic data to develop a new interpretation of the subsurface structure at the Decatur site that explicitly identifies pathways for fluid flow into the basement leading to induced seismicity, and provides a geological explanation for the sharp reduction of induced seismicity during injection at higher rates into the second well. The use of seismic moment to estimate the length of seismogenic slip planes in the local subsurface suggests that faults large enough to produce felt seismicity are unlikely to be present at or near the Decatur site.

Geochemistry & Geophysics↗
DOE OSTI2023

X-ray diffraction reveals two structural transitions in szomolnokite

Hydrated sulfates have been identified and studied in a wide variety of environments on Earth, Mars, and the icy satellites of the solar system. The subsurface presence of hydrous sulfur-bearing phases to any extent necessitates a better understanding of their thermodynamic and elastic properties at pressure. End-member experimental and computational data are lacking and are needed to accurately model hydrous, sulfur-bearing planetary interiors. In this work, high-pressure X-ray diffraction (XRD) and synchrotron Fourier-transform infrared (FTIR) measurements were conducted on szomolnokite (FeSO 4 ·H 2 O) up to ~83 and 24 GPa, respectively. This study finds a monoclinic-triclinic (C2/c to P1¯) structural phase transition occurring in szomolnokite between 5.0(1) and 6.6(1) GPa and a previously unknown triclinic-monoclinic (P1¯ to P2 1 ) structural transition occurring between 12.7(3) and 16.8(3) GPa. The high-pressure transition was identified by the appearance of distinct reflections in the XRD patterns that cannot be attributed to a second phase related to the dissociation of the P1¯ phase, and it is further characterized by increased H 2 O bonding within the structure. We fit third-order Birch-Murnaghan equations of state for each of the three phases identified in our data and refit published data to compare the elastic parameters of szomolnokite, kieserite (MgSO 4 ·H 2 O), and blödite (Na 2 Mg(SO 4 ) 2 ·4H 2 O). At ambient pressure, szomolnokite is less compressible than blödite and more than kieserite, but by 7 GPa both szomolnokite and kieserite have approximately the same bulk modulus, while blödite’s remains lower than both phases up to 20 GPa. Furthermore, these results indicate the stability of szomolnokite’s high-pressure monoclinic phase and the retention of water within the structure up to pressures found in planetary deep interiors.

58 GEOSCIENCES↗
DOE OSTI2013

Syntrophic Effects in a Subsurface Clostridial Consortium on Fe(III)-(Oxyhydr)oxide Reduction and Secondary Mineralization

In this study, we cultivated from subsurface sediments an anaerobic Clostridia 25 consortium that was composed of a fermentative Fe-reducer Clostridium species (designated as 26 strain FGH) and a novel sulfate-reducing bacterium belonging to the Clostridia family 27 Vellionellaceae (designated as strain RU4). In pure culture, Clostridium sp. strain FGH mediated 28 the reductive dissolution/transformation of iron oxides during growth on peptone. When 29 Clostridium sp. FGH was grown with strain RU4 on peptone, the rates of iron oxide reduction 30 were significantly higher. Iron reduction by the consortium was mediated by multiple 31 mechanisms, including biotic reduction by Clostridium sp. FGH and biotic/abiotic reactions 32 involving biogenic sulfide by strain RU4. The Clostridium sp. FGH produced hydrogen during 33 fermentation, and the presence of hydrogen inhibited growth and iron reduction activity. The 34 sulfate-reducing partner strain RU4 was stimulated by the presence of H 2 gas and generated 35 reactive sulfide which promoted the chemical reduction of the iron oxides. Characterization of 36 Fe(II) mineral products showed the formation of magnetite during ferrihydrite reduction, and 37 the precipitation of iron sulfides during goethite and hematite reduction. The results suggest an 38 important pathway for iron reduction and secondary mineralization by fermentative sulfate-39 reducing microbial consortia is through syntrophy-driven biotic/abiotic reactions with biogenic 40 sulfide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Microbial Community Composition in Deep‐Subsurface Reservoir Fluids Reveals Natural Interwell Connectivity

Abstract The identification of natural fractures and the wells they connect is crucial for the development of geological reservoirs because it may have an important impact on reservoir model construction and hydraulic fracture propagation. In this study we investigated the use of a novel data source, the microbial community composition in the reservoir formation fluids, for identification of interwell connectivity caused by natural fractures. We verified this concept at a newly developed mesoscale enhanced geothermal system (EGS) field testbed located 4,850 ft (1,478 m) beneath ground surface at the Sanford Underground Research Facility in Lead, SD. Fluids produced at or near the EGS testbed were sampled and subjected to high‐throughput 16S rRNA gene amplicon sequencing to analyze the microbial community profile therein. Despite the typically substantial heterogeneity across the community profiles of samples spatially distributed (10 m to 1.9 km apart) throughout the site, samples from two wells at the EGS testbed showed highly similar microbial community composition, suggesting the two wells intersected the same natural fracture. This evidence of natural connectivity between the two wells at the EGS testbed was later corroborated by core log analysis and sewer camera surveys into the boreholes. Besides the field case described in this study, microbial community composition as a reservoir diagnostic tool would be applicable in a much broader context such as unconventional hydrocarbon exploitation, groundwater reservoir characterization, and environmental remediation, adding valuable “hard” data capable of pinpointing the origins of fluids unambiguously.

Zhang, Yuran↗